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Sample records for perform natural bond

  1. EXPERIMENTAL INVESTIGATION ON THE EFFECT OF NATURAL TROPICAL WEATHER ON INTERFACIAL BONDING PERFORMANCE OF CFRP-CONCRETE BONDING SYSTEM

    Directory of Open Access Journals (Sweden)

    MOHD H. MOHD HASHIM

    2016-04-01

    Full Text Available The existing reinforced concrete structures may require rehabilitation and strengthening to overcome deficiencies due to defect and environmental deterioration. Fibre Reinforced Polymer (FRP-concrete bonding systems can provide solution for the deficiencies, but the durability of the bonded joint needs to be investigated for reliable structural performance. In this research the interfacial bonding behaviour of CFRP-concrete system under tropical climate exposure is main interest. A 300 mm concrete prism was bonded with CFRP plate on its two sides and exposed for 3, 6, and 9 months to laboratory environment, continuous natural weather, and wet-dry exposure in 3.5% saltwater solution at room and 40 °C temperature. The prisms were subjected to tension and compression load under bonding test to measure the strain and determine stress distribution and shear stress transfer behaviour. The results of the bonding test showed that load transfer was fairly linear and uniform at lower load level and changed to non-linear and non- uniform at higher load level. The force transfers causes the shear stress distribution being shifted along the bonded length. The combination of climate effects may have provided better curing of the bonded joints, but longer duration of exposure may be required to weaken the bond strength. Nevertheless, CFRP-concrete bonding system was only minimally affected under the tropical climate and salt solution.

  2. Density functional theory, natural bond orbital and quantum theory of ...

    Indian Academy of Sciences (India)

    Density functional theory, natural bond orbital and quantum theory of atoms in molecule analyses on the hydrogen bonding interactions in tryptophan-water complexes. XIQIAN NIU, ZHENGGUO HUANG. ∗. , LINGLING MA, TINGTING SHEN and LINGFEI GUO. Tianjin Key Laboratory of Structure and Performance for ...

  3. Bone bonding at natural and biomaterial surfaces.

    Science.gov (United States)

    Davies, John E

    2007-12-01

    Bone bonding is occurring in each of us and all other terrestrial vertebrates throughout life at bony remodeling sites. The surface created by the bone-resorbing osteoclast provides a three-dimensionally complex surface with which the cement line, the first matrix elaborated during de novo bone formation, interdigitates and is interlocked. The structure and composition of this interfacial bony matrix has been conserved during evolution across species; and we have known for over a decade that this interfacial matrix can be recapitulated at a biomaterial surface implanted in bone, given appropriate healing conditions. No evidence has emerged to suggest that bone bonding to artificial materials is any different from this natural biological process. Given this understanding it is now possible to explain why bone-bonding biomaterials are not restricted to the calcium-phosphate-based bioactive materials as was once thought. Indeed, in the absence of surface porosity, calcium phosphate biomaterials are not bone bonding. On the contrary, non-bonding materials can be rendered bone bonding by modifying their surface topography. This paper argues that the driving force for bone bonding is bone formation by contact osteogenesis, but that this has to occur on a sufficiently stable recipient surface which has micron-scale surface topography with undercuts in the sub-micron scale-range.

  4. 36 CFR 9.48 - Performance bond.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Performance bond. 9.48... MINERALS MANAGEMENT Non-Federal Oil and Gas Rights § 9.48 Performance bond. (a) Prior to approval of a plan of operations, the operator shall be required to file a suitable performance bond with satisfactory...

  5. 25 CFR 216.8 - Performance bond.

    Science.gov (United States)

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Performance bond. 216.8 Section 216.8 Indians BUREAU OF... RECLAMATION OF LANDS General Provisions § 216.8 Performance bond. (a) Upon approval of an exploration plan or mining plan, the operator shall be required to file a suitable performance bond of not less than $2,000...

  6. 43 CFR 23.9 - Performance bond.

    Science.gov (United States)

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false Performance bond. 23.9 Section 23.9 Public... LANDS § 23.9 Performance bond. (a)(1) Upon approval of an exploration plan or mining plan, the operator shall be required to file a suitable performance bond of not less than $2,000 with satisfactory surety...

  7. 36 CFR 223.35 - Performance bond.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Performance bond. 223.35 Section 223.35 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND... Performance bond. Timber sale contracts may require the purchaser to furnish a performance bond for...

  8. 36 CFR 9.13 - Performance bond.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Performance bond. 9.13... MINERALS MANAGEMENT Mining and Mining Claims § 9.13 Performance bond. (a) Upon approval of a plan of operations the operator shall be required to file a suitable performance bond with satisfactory surety...

  9. The halogen bond: Nature and applications

    Science.gov (United States)

    Costa, Paulo J.

    2017-10-01

    The halogen bond, corresponding to an attractive interaction between an electrophilic region in a halogen (X) and a nucleophile (B) yielding a R-X⋯B contact, found applications in many fields such as supramolecular chemistry, crystal engineering, medicinal chemistry, and chemical biology. Their large range of applications also led to an increased interest in their study using computational methods aiming not only at understanding the phenomena at a fundamental level, but also to help in the interpretation of results and guide the experimental work. Herein, a succinct overview of the recent theoretical and experimental developments is given starting by discussing the nature of the halogen bond and the latest theoretical insights on this topic. Then, the effects of the surrounding environment on halogen bonds are presented followed by a presentation of the available method benchmarks. Finally, recent experimental applications where the contribution of computational chemistry was fundamental are discussed, thus highlighting the synergy between the lab and modeling techniques.

  10. The Nature of the Hydrogen Bond Outline of a Comprehensive Hydrogen Bond Theory

    CERN Document Server

    Gilli, Gastone

    2009-01-01

    Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies andgeometries.New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: cha

  11. Engineering Performance of Polyurethane Bonded Aggregates

    Directory of Open Access Journals (Sweden)

    Haimin WU

    2017-08-01

    Full Text Available In this paper the engineering performance of polyurethane (PUR bonded aggregate were studied. The engineering performance, including compressive and flexural mechanical properties, void ratio, and coefficient of permeability were determined through laboratory tests. Moreover, the effects of two different curing conditions on the compressive strength properties of a PUR bonded aggregate were also evaluated. The compressive strengths of PUR bonded aggregates were found to be lower than that of conventional porous concrete, which is a commonly used cushion material. However, experimental results indicated a higher void ratio and coefficient of permeability, lower elasticity modulus, better toughness, and stronger adaptability to flexural deformation compared to porous concrete. Consequently, PUR bonded aggregate is a better solution than porous concrete when used as the cushion material of a geomembrane surface barrier for a high rock-fill dam.DOI: http://dx.doi.org/10.5755/j01.ms.23.2.15798

  12. The Nature of Bonding in WC and WN

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The nature of bonding in the title compounds has been studied by using CASSCF and FOCl techniques. The ground states of WC and WN are found to be 3Δ and 4∑- state arising primarily from:...1σ2σ21π41δ13σ1 and ...1σ2σ21π41δ23σ1 configuration respectively. WC shows a strong character of covalent bond while WN have obvious character of ionic bond and the dissociation energy of WN is larger than that of WC (6.15 and 5.41 eV respective).

  13. 48 CFR 53.301-25 - Performance Bond.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 2 2010-10-01 2010-10-01 false Performance Bond. 53.301-25 Section 53.301-25 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION (CONTINUED) CLAUSES AND FORMS FORMS Illustrations of Forms 53.301-25 Performance Bond. ER18DE98.007 ER18DE98.008 [63...

  14. Introducing a new bond reactivity index: Philicities for natural bond orbitals.

    Science.gov (United States)

    Sánchez-Márquez, Jesús; Zorrilla, David; García, Víctor; Fernández, Manuel

    2017-12-22

    In the present work, a new methodology defined for obtaining reactivity indices (philicities) is proposed. This is based on reactivity functions such as the Fukui function or the dual descriptor, and makes it possible to project the information from reactivity functions onto molecular orbitals, instead of onto the atoms of the molecule (atomic reactivity indices). The methodology focuses on the molecules' natural bond orbitals (bond reactivity indices) because these orbitals have the advantage of being localized, allowing the reaction site of an electrophile or nucleophile to be determined within a very precise molecular region. This methodology provides a "philicity" index for every NBO, and a representative set of molecules has been used to test the new definition. A new methodology has also been developed to compare the "finite difference" and the "frontier molecular orbital" approximations. To facilitate their use, the proposed methodology as well as the possibility of calculating the new indices have been implemented in a new version of UCA-FUKUI software. In addition, condensation schemes based on atomic populations of the "atoms in molecules" theory, the Hirshfeld population analysis, the approximation of Mulliken (with a minimal basis set) and electrostatic potential-derived charges have also been implemented, including the calculation of "bond reactivity indices" defined in previous studies. Graphical abstract A new methodology defined for obtaining bond reactivity indices (philicities) is proposed and makes it possible to project the information from reactivity functions onto molecular orbitals. The proposed methodology as well as the possibility of calculating the new indices have been implemented in a new version of UCA-FUKUI software. In addition, this version can use new atomic condensation schemes and new "utilities" have also been included in this second version.

  15. The performance of Norwegian investment grade bond funds

    OpenAIRE

    Berge, Hjalmar Laudal; Kamalanathan, Sayanthan

    2016-01-01

    The following thesis examines the performance of Norwegian investment grade bond mutual funds in the period from January 2011 to January 2016. In this study we addresstwo important issues. Firstly, by applying a CAPM model framework, we examine whether funds are able to outperform passive portfolios. Due to the lack of appropriate benchmarks for evaluation in the Norwegian market, we construct and include a bond index in our analysis. Across several different model specifi...

  16. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate

    Science.gov (United States)

    Edwin, Bismi; Amalanathan, M.; Hubert Joe, I.

    2012-10-01

    Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H⋯O and N-H⋯O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

  17. The Environmental Performance of Dutch Government Bond Funds

    NARCIS (Netherlands)

    Scholtens, B.

    2010-01-01

    We investigate the implications of using different indicators to assess the sustainability performance of investment funds. In particular, we look into the environmental performance of Dutch government bond funds. We find that it does matter a lot which particular indicator is used. This suggests

  18. 7 CFR 1720.14 - Nature of guarantee; acceleration of guaranteed bonds.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 11 2010-01-01 2010-01-01 false Nature of guarantee; acceleration of guaranteed bonds. 1720.14 Section 1720.14 Agriculture Regulations of the Department of Agriculture (Continued) RURAL... TELEPHONE PURPOSES § 1720.14 Nature of guarantee; acceleration of guaranteed bonds. (a) Any guarantee...

  19. Bonding performance of two newly developed self‑adhering ...

    African Journals Online (AJOL)

    2014-04-21

    Apr 21, 2014 ... Nigerian Journal of Clinical Practice • Mar-Apr 2015 • Vol 18 • Issue 2. Abstract. Purpose: This study evaluated the effect of four resin materials on the shear bond ... performance of self‑adhering composite and glass‑ionomer.

  20. Understanding the triple nature of the chemical bond on submicroscopic level

    OpenAIRE

    Klun, Tina

    2017-01-01

    The master’s thesis addresses three definitions of chemical bond with particular emphasis on the sub-microscopic level in a comprehensive manner. Slovenian pupils are taught about chemical bond for the first time in the eighth grade of primary school as part of learning about the connection between particles. Due to the abstract nature of the notion chemical bond, it is essential that pupils are encouraged to learn about the topic on the macroscopic, sub microscopic and symbolic level as this...

  1. Nature of chemical bond through positron angular correlation

    International Nuclear Information System (INIS)

    Ramasamy, S.; Nagarajan, T.

    1979-01-01

    Two photon angular distribution of positron annihilation is measured for compounds (1) m- and (2) p-nitroanilines, (3) m- and (4) p-methylsulphonyl-N, N-dimethylanilines and (5) p-phenylthio- and (6) p-phenoxyanilines in order to investigate the phenomenon of resonance and the involvement of d-orbitals of sulphur in chemical bonding. The FWHM is the same (10.8 mrad) for compounds (1) and (2) indicating that the resonance in the p-isomer does not change the annihilation characteristic much. The measured FWHM (9.4 mrad) for compound (4) is much broader than that of compound (3) (FWHM = 7.7 mrad). In the case of p-isomer, there is the involvement of d-orbitals of sulphur in bond formation. FWHM for compounds (5) and (6) are almost same (8.4 mrad). In this pair the only difference is that the sulphur in one case is replaced by oxygen in the other. Since there is not enough scope for excess electrons to be accomodated at oxygen or sulphur, there is no preferential annihilation of positron at these centres. (auth.)

  2. Hydrogen bonded C-H···Y (Y = O, S, Hal) molecular complexes: A natural bond orbital analysis

    Science.gov (United States)

    Isaev, A. N.

    2016-03-01

    Hydrogen bonded C-H···Y complexes formed by H2O, H2S molecules, hydrogen halides, and halogen-ions with methane, halogen substituted methane as well as with the C2H2 and NCH molecules were studied at the MP2/aug-cc-pVDZ level. The structure of NBOs corresponding to lone pair of acceptor Y, n Y, and vacant anti-σ-bond C-H of proton donor was analyzed and estimates of second order perturbation energy E(2) characterizing donor-acceptor n Y → σ C-H * charge-transfer interaction were obtained. Computational results for complexes of methane and its halogen substituted derivatives show that for each set of analogous structures, the EnY→σ*C-H (2) energy tends to grow with an increase in the s-component percentage in the lone pair NBO of acceptor Y. Calculations for different C···Y distances show that the equilibrium geometries of complexes lie in the region where the E(2) energy is highest and it changes symbatically with the length of the covalent E-H bond when the R(C···Y) distance is varied. The performed analysis allows us to divide the hydrogen bonded complexes into two groups, depending on the pattern of overlapping for NBOs of the hydrogen bridge.

  3. 29 CFR 2580.412-8 - The nature of the duties or activities to which the bonding requirement relates.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 9 2010-07-01 2010-07-01 false The nature of the duties or activities to which the bonding requirement relates. 2580.412-8 Section 2580.412-8 Labor Regulations Relating to Labor (Continued) EMPLOYEE... INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES Scope and Form of the Bond § 2580.412-8 The nature of...

  4. Performance Evaluation and Durability Studies of Adhesive Bonds

    Science.gov (United States)

    Ranade, Shantanu Rajendra

    In this thesis, four test approaches were developed to characterize the adhesion performance and durability of adhesive bonds for specific applications in areas spanning from structural adhesive joints to popular confectionaries such as chewing gum. In the first chapter, a double cantilever beam (DCB) specimen geometry is proposed for combinatorial fracture studies of structural adhesive bonds. This specimen geometry enabled the characterization of fracture energy vs. bondline thickness trends through fewer tests than those required during a conventional "one at a time" characterization approach, potentially offering a significant reduction in characterization times. The second chapter investigates the adhesive fracture resistance and crack path selection in adhesive joints containing patterns of discreet localized weak interfaces created using physical vapor deposition of copper. In a DCB specimen tested under mode-I conditions, fracture energy within the patterned regions scaled according to a simple rule of mixture, while reverse R-curve and R-curve type trends were observed in the regions surrounding weak interface patterns. Under mixed mode conditions such that bonding surface with patterns is subjected to axial tension, fracture energy did not show R-curve type trends while it was observed that a crack could be made to avoid exceptionally weak interfaces when loaded such that bonding surface with defects is subjected to axial compression. In the third chapter, an adaptation of the probe tack test is proposed to characterize the adhesion behavior of gum cuds. This test method allowed the introduction of substrates with well-defined surface energies and topologies to study their effects on gum cud adhesion. This approach and reported insights could potentially be useful in developing chewing gum formulations that facilitate easy removal of improperly discarded gum cuds from adhering surfaces. In the fourth chapter we highlight a procedure to obtain insights

  5. GROUT-CONCRETE INTERFACE BOND PERFORMANCE: EFFECT OF INTERFACE MOISTURE ON THE TENSILE BOND STRENGTH AND GROUT MICROSTRUCTURE.

    Science.gov (United States)

    De la Varga, I; Muñoz, J F; Bentz, D P; Spragg, R P; Stutzman, P E; Graybeal, B A

    2018-05-01

    Bond between two cementitious materials is crucial in applications such as repairs, overlays, and connections of prefabricated bridge elements (PBEs), to name just a few. It is the latter that has special interest to the authors of this paper. After performing a dimensional stability study on grout-like materials commonly used as connections between PBEs, it was observed that the so-called 'non-shrink' cementitious grouts showed a considerable amount of early-age shrinkage. This might have negative effects on the integrity of the structure, due not only to the grout material's early degradation, but also to a possible loss of bond between the grout and the prefabricated concrete element. Many factors affect the bond strength between two cementitious materials (e.g., grout-concrete), the presence of moisture at the existing concrete substrate surface being one of them. In this regard, pre-moistening the concrete substrate surface prior to the application of the grout material is sometimes recommended for bond enhancement. This topic has been the focus of numerous research studies in the past; however, there is still controversy among practitioners on the real benefits that this practice might provide. This paper evaluates the tensile bond performance of two non-shrink cementitious grouts applied to the exposed aggregate surface of a concrete substrate, and how the supply of moisture at the grout-concrete interface affects the bond strength. "Pull-off" bond results show increased tensile bond strength when the concrete surface is pre-moistened. Reasons to explain the observed increased bond strength are given after a careful microstructural analysis of the grout-concrete interface. Interfaces where sufficient moisture is provided to the concrete substrate such that moisture movement from the grout is prevented show reduced porosity and increased hydration on the grout side of the interface, which is thought to directly contribute to the increased tensile bond

  6. Investigation of field corrosion performance and bond/development length of galvanized reinforcing steel.

    Science.gov (United States)

    2014-12-01

    In reinforced concrete systems, ensuring that a good bond between the concrete and the embedded reinforcing steel is critical to : long-term structural performance. Without good bond between the two, the system simply cannot behave as intended. The b...

  7. Manufacture and performance of the thermal-bonding Micromegas prototype

    International Nuclear Information System (INIS)

    Zhang, Z.; Yang, Z.; Kang, L.; Guan, L.; Zhang, Y.; Wang, X.; Xu, Z.; Liu, S.; An, Q.; Wang, F.; Zhao, T.

    2014-01-01

    The micro-mesh gaseous structure (Micromegas) has been significantly developed since it was proposed in 1995 at Saclay (France). Some new construction methods different from ''bulk'' etching technique are under R and D. Here we report the results of several prototypes manufactured with thermal-bonding method, The details of this method and the performances of the chambers are presented. For a 200 × 200 m 2 prototype, the energy resolution of 16% (FWHM) for 5.9 keV x-rays is achieved at a gain of 2000–4000. In addition, the sparking-resistant chammber with a Gemanium anode is under studying

  8. Nature of bonding forces between two hydrogen-passivated silicon wafers

    DEFF Research Database (Denmark)

    Stokbro, Kurt; Nielsen, E.; Hult, E.

    1998-01-01

    The nature and strength of the bonding forces between two II-passivated Si surfaces are studied with the density-functional theory, using an approach based on recent theoretical advances in understanding of van der Waals forces between two surfaces. Contrary to previous suggestions of van der Waals...

  9. Estimation of interface resistivity in bonded Si for the development of high performance radiation detectors

    International Nuclear Information System (INIS)

    Kanno, Ikuo; Yamashita, Makoto; Nomiya, Seiichiro; Onabe, Hideaki

    2007-01-01

    For the development of high performance radiation detectors, direct bonding of Si wafers would be an useful method. Previously, p-n bonded Si were fabricated and they showed diode characteristics. The interface resistivity was, however, not investigated in detail. For the study of interface resistivity, n-type Si wafers with different resistivities were bonded. The resistivity of bonded Si wafers were measured and the interface resistivity was estimated by comparing with the results of model calculations. (author)

  10. The Influence of Disorder in Multifilament Yarns on the Bond Performance in Textile Reinforced Concrete

    Directory of Open Access Journals (Sweden)

    M. Konrad

    2004-01-01

    Full Text Available In this paper we analyze the performance of a bond layer between the multi-filament yarn and the cementitious matrix. The performance of the bond layer is a central issue in the development of textile-reinforced concrete. The changes in the microstructure during the loading result in distinguished failure mechanisms on the micro, meso and macro scales. The paper provides a brief review of these effects and describes a modeling strategy capable of reflecting the failure process. Using the model of the bond layer we illuminate the correspondence between the disorder in the microstructure of the yarn and the bonding behavior at the meso- and macro level. Particular interest is paid to the influence of irregularities in the micro-structure (relative differences in filament lengths, varying bond quality, bond-free length for different levels of local bond quality between the filament surface and the matrix. 

  11. NPP Krsko natural circulation performance evaluation

    International Nuclear Information System (INIS)

    Segon, Velimir; Bajs, Tomislav; Frogheri, Monica

    1999-01-01

    The present document deals with an evaluation of the natural circulation performance of the Krsko nuclear power plant. Two calculation have been performed using the NPP Krsko nodalization (both similar to the LOBI A2-77 natural circulation experiment) - the first with the present steam generators at NPP Krsko (Westinghouse, 18% plugged), the second with the future steam generators (Siemens, 0% plugged). The results were evaluated using the natural circulation flow map derived in /1/, and were compared to evaluate the influence of the new steam generators on the natural circulation performance. (author)

  12. The structure of betaxolol studied by infrared spectroscopy and natural bond orbital theory.

    Science.gov (United States)

    Canotilho, João; Castro, Ricardo A E

    2010-08-01

    Betaxolol is a selective beta(1) receptor blocker used in the treatment of hypertension and glaucoma. A study of the betaxolol structure based on infrared spectroscopy and natural bond orbital (NBO) theory is the main aim of the present research. FTIR spectra of the solid betaxolol were recorded in the region from 4000 to 400cm(-1), in the temperature range between 25 and -170 degrees C. For spectral interpretation, spectrum of the deuterated betaxolol and the theoretical vibrational spectra of the conformer present in the solid obtained at the B3LYP/6-31G* level of theory, were used. Further insight into the structure was provided by natural bond orbital theory. NBO analysis of the conformer, before and after optimization, was carried out at the same level of theory referred above. Vibrational modes involved in hydrogen bond in the stretching and bending region were used in the estimation of the enthalpy using empirical correlations between enthalpy and the frequency shift that occurs as a result of the establishment of intermolecular hydrogen bonds. A detailed study of the structure of betaxolol and of its intermolecular interactions was obtained from the combination spectroscopy and NBO theory. Copyright 2010 Elsevier B.V. All rights reserved.

  13. The problems and abuse of performance bond in the construction Industry

    Science.gov (United States)

    Hassan, A. A.; Adnan, H.

    2018-02-01

    Performance bond is a bank-origin system adopted in the construction industry to act as a tool to ensure project delivery. The bond is taken up by an obliging party with endorsement by a third party; normally a banking institution, which would warrants the release of an insured amount should the obliging party fails to complete the contracted work on time or as agreed. The nature of the instrument is said to be perplexed and abusive. The research aims to investigate this claim. Applied legal research using both doctrinal and non-doctrinal legal research is employed. With the application of deductive reasoning, the data is processed and summarized. It is found that the term bond and guarantee, which are used intermittently but equivocally by the parties, should be distinguished accordingly to its obligation values, or otherwise would trigger major disputes. Interpretation, drafting and liabilities issues caused by archaic language and dated recycled wordings in the contracts contributed nothing to the convenience and application of this instrument. The loopholes in the contract made it easy for suspected fraudulent calls to be made by the beneficiary, whom are normally, the client. With several trusted professional bodies discouraged the use of this instrument, the legal system is compelled to provide direction to ensure continuous utilization of this project delivery assurance mechanism. Standardized system and structure is vital in order to obtain uniformity in its application.

  14. Pullout Performances of Grouted Rockbolt Systems with Bond Defects

    Science.gov (United States)

    Xu, Chang; Li, Zihan; Wang, Shanyong; Wang, Shuren; Fu, Lei; Tang, Chunan

    2018-03-01

    This paper presents a numerical study on the pullout behaviour of fully grouted rockbolts with bond defects. The cohesive zone model (CZM) is adopted to model the bond-slip behaviour between the rockbolt and grout material. Tensile tests were also conducted to validate the numerical model. The results indicate that the defect length can obviously influence the load and stress distributions along the rockbolt as well as the load-displacement response of the grouted system. Moreover, a plateau in the stress distribution forms due to the bond defect. The linear limit and peak load of the load-displacement response decrease as the defect length increases. A bond defect located closer to the loaded end leads to a longer nonlinear stage in the load-displacement response. However, the peak loads measured from the specimens made with various defect locations are almost approximately the same. The peak load for a specimen with the defects equally spaced along the bolt is higher than that for a specimen with defects concentrated in a certain zone, even with the same total defect length. Therefore, the dispersed pattern of bond defects would be much safer than the concentrated pattern. For the specimen with dispersed defects, the peak load increases with an increase in the defect spacing, even if the total defect length is the same. The peak load for a grouted rockbolt system with defects increases with an increases in the bolt diameter. This work leads to a better understanding of the load transfer mechanism for grouted rockbolt systems with bond defects, and paves the way towards developing a general evaluation method for damaged rockbolt grouted systems.

  15. Nature of the three-electron bond in H2S∴SH2+

    NARCIS (Netherlands)

    Bickelhaupt, F. Matthias; Diefenbach, Axel; De Visser, Sam P.; De Koning, Leo J.; Nibbering, Nico M.M.

    1998-01-01

    We have investigated the model system H2S∴-SH2+, i.e., the sulfur-sulfur bound dimer radical cation of H2S, using both density functional theory (LDA, BP86, PW91) and traditional ab initio theory (up to CCSD-(T)). Our purpose is to better understand the nature of the three-electron bond. The S-S

  16. 30 CFR 800.40 - Requirement to release performance bonds.

    Science.gov (United States)

    2010-07-01

    ... respect to any environmental, social, or economic impact involved in the operation or which is authorized... third party and for the period specified for operator responsibility in section 515 of the Act for... bond, but not before the expiration of the period specified for operator responsibility in § 816.116 or...

  17. Adhesives with wood materials : bond formation and performance

    Science.gov (United States)

    Charles R. Frihart; Christopher G. Hunt

    2010-01-01

    Adhesive bonding of wood plays an increasing role in the forest products industry and is a key factor for efficiently utilizing our timber resource. The main use of adhesives is in the manufacture of building materials, including plywood, oriented strandboard, particleboard, fiberboard, structural composite lumber, doors, windows and frames, and factory-laminated wood...

  18. A Comparison of Bond Performance of Concrete Reinforced with ...

    African Journals Online (AJOL)

    The transfer of stress from a deformed bar to the concrete is achieved by mechanical locking of the steel into the surrounding concrete. This interfacial bond strength between steel and the surrounding concrete is an important factor influencing the strength and durability of reinforced concrete structure. This paper presents ...

  19. Bonding performance of two newly developed self‑adhering ...

    African Journals Online (AJOL)

    Purpose: This study evaluated the effect of four resin materials on the shear bond strength (SBS) of a ceramic core material to dentin. Materials and Methods: Sixty molar teeth were embedded in a self‑curing acrylic resin. All specimens were randomly divided into four groups of teeth, each according to the resin cement used ...

  20. Insights from Domain-Averaged Fermi Hole (DAFH) Analysis and Multicenter Bond Indices into the Nature of Be(0) Bonding.

    Czech Academy of Sciences Publication Activity Database

    Ponec, Robert; Cooper, D.L.

    2017-01-01

    Roč. 28, č. 4 (2017), s. 1033-1043 ISSN 1040-0400 Institutional support: RVO:67985858 Keywords : peculiarity of Be(0) bonding * DAFH analysis * multicenter bond indices Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 1.582, year: 2016

  1. Ab initio path-integral molecular dynamics and the quantum nature of hydrogen bonds

    International Nuclear Information System (INIS)

    Feng Yexin; Chen Ji; Wang Enge; Li Xin-Zheng

    2016-01-01

    The hydrogen bond (HB) is an important type of intermolecular interaction, which is generally weak, ubiquitous, and essential to life on earth. The small mass of hydrogen means that many properties of HBs are quantum mechanical in nature. In recent years, because of the development of computer simulation methods and computational power, the influence of nuclear quantum effects (NQEs) on the structural and energetic properties of some hydrogen bonded systems has been intensively studied. Here, we present a review of these studies by focussing on the explanation of the principles underlying the simulation methods, i.e., the ab initio path-integral molecular dynamics. Its extension in combination with the thermodynamic integration method for the calculation of free energies will also be introduced. We use two examples to show how this influence of NQEs in realistic systems is simulated in practice. (topical review)

  2. Hydrogen bond nature of ferroelectric material studied by X-ray and neutron diffraction. Electric dipole moment and proton tunneling

    International Nuclear Information System (INIS)

    Noda, Yukio; Kiyanagi, Ryoji; Mochida, Tomoyuki; Sugawara, Tadashi

    2006-01-01

    Hydrogen bond nature of MeHPLN and BrHPLN is studied using x-ray and neutron diffraction technique. We found that electric dipole moment of hydrogen atom plays an important role for the phase transition, and proton tunneling model is confirmed on this isolated hydrogen bond system. (author)

  3. Performance of various density functionals for the hydrogen bonds in DNA base pairs

    NARCIS (Netherlands)

    van der Wijst, T.; Fonseca Guerra, C.; Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We have investigated the performance of seven popular density functionals (B3LYP, BLYP, BP86, mPW, OPBE, PBE, PW91) for describing the geometry and stability of the hydrogen bonds in DNA base pairs. For the gas-phase situation, the hydrogen-bond lengths and strengths in the DNA pairs have been

  4. DFT Study of the Structure, Reactivity, Natural Bond Orbital and Hyperpolarizability of Thiazole Azo Dyes

    Directory of Open Access Journals (Sweden)

    Osman I. Osman

    2017-02-01

    Full Text Available The structure, reactivity, natural bond orbital (NBO, linear and nonlinear optical (NLO properties of three thiazole azo dyes (A, B and C were monitored by applying B3LYP, CAM-B3LYP and ωB97XD functionals with 6-311++G** and aug-cc-pvdz basis sets. The geometrical parameters,dipolemoments,HOMO-LUMO(highest occupied molecular orbital,lowest unoccupied molecular orbital energy gaps, absorption wavelengths and total hyperpolarizabilities were investigated in carbon tetrachloride (CCl4 chloroform (CHCl3, dichloromethane (CH2Cl2 and dimethlysulphoxide (DMSO. The donor methoxyphenyl group deviates from planarity with the thiazole azo moiety by ca. 38◦; while the acceptor dicyanovinyl, indandione and dicyanovinylindanone groups diverge by ca. 6◦. The HOMOs for the three dyes are identical. They spread over the methoxyphenyl donor moiety, the thiazole and benzene rings as π-bonding orbitals. The LUMOs are shaped up by the nature of the acceptor moieties. The LUMOs of the A, B and C dyes extend over the indandione, malononitrile and dicyanovinylindanone acceptor moieties, respectively, as π-antibonding orbitals. The HOMO-LUMO splittings showed that Dye C is much more reactive than dyes A and B. Compared to dyes A and B, Dye C yielded a longer maximum absorption wavelength because of the stabilization of its LUMOs relative to those of the other two. The three dyes show solvatochromism accompanied by significant increases in hyperpolarizability. The enhancement of the total hyperpolarizability of C compared to those of A and B is due to the cumulative action of the long π-conjugation of the indanone ring and the stronger electron-withdrawing ability of the dicyanovinyl moiety that form the dicyanovinylindanone acceptor group. These findings are facilitated by a natural bond orbital (NBO technique. The very high total hyperpolarizabilities of the three dyes define their potent nonlinear optical (NLO behaviour.

  5. 29 CFR 453.11 - The nature of the “duties” to which the bonding requirement relates.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 2 2010-07-01 2010-07-01 false The nature of the âdutiesâ to which the bonding requirement relates. 453.11 Section 453.11 Labor Regulations Relating to Labor OFFICE OF LABOR-MANAGEMENT STANDARDS... LABOR-MANAGEMENT REPORTING AND DISCLOSURE ACT OF 1959 Scope of the Bond § 453.11 The nature of the...

  6. Evolution of the chemical bonding nature and electrode activity of indium selenide upon the composite formation with graphene nanosheets

    International Nuclear Information System (INIS)

    Oh, Seung Mi; Lee, Eunsil; Adpakpang, Kanyaporn; Patil, Sharad B.; Park, Mi Jin; Lim, Young Soo; Lee, Kyu Hyoung; Kim, Jong-Young; Hwang, Seong-Ju

    2015-01-01

    Graphical abstract: Display Omitted -- Highlights: • In 4 Se 2.85 @graphene nanocomposite is easily prepared by high energy mechanical milling process. • The bond covalency of In 4 Se 2.85 is notably changed upon the composite formation with graphene. • In 4 Se 2.85 @graphene nanocomposite shows promising anode performance for lithium ion battery. -- Abstract: Evolution of the chemical bonding nature and electrochemical activity of indium selenide upon the composite formation with carbon species is systematically investigated. Nanocomposites of In 4 Se 2.85 @graphene and In 4 Se 2.85 @carbon-black are synthesized via a solid state reaction between In and Se elements, and the following high energy mechanical milling of In 4 Se 2.85 with graphene and carbon-black, respectively. The high energy mechanical milling (HEMM) of In 4 Se 2.85 with carbon species gives rise to a decrease of particle size with a significant depression of the crystallinity of In 4 Se 2.85 phase. In contrast to the composite formation with carbon-black, that with graphene induces a notable decrease of (In−Se) bond covalency, underscoring significant chemical interaction between graphene and In 4 Se 2.85 . Both the nanocomposites of In 4 Se 2.85 @graphene and In 4 Se 2.85 @carbon-black show much better anode performance for lithium ion batteries with larger discharge capacity and better cyclability than does the pristine In 4 Se 2.85 material, indicating the beneficial effect of composite formation on the electrochemical activity of indium selenide. Between the present nanocomposites, the electrode performance of the In 4 Se 2.85 @graphene nanocomposite is superior to that of the In 4 Se 2.85 @carbon-black nanocomposite, which is attributable to the weakening of (In−Se) bonds upon the composite formation with graphene as well as to the better mixing between In 4 Se 2.85 and graphene. The present study clearly demonstrates that the composite formation with graphene has strong influence

  7. Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn

    Directory of Open Access Journals (Sweden)

    Sudip Pan

    2015-03-01

    Full Text Available Ab initio and density functional theory-based computations are performed to investigate the structure and stability of H3SiNgNSi and HSiNgNSi compounds (Ng = Xe, Rn. They are thermochemically unstable with respect to the dissociation channel producing Ng and H3SiNSi or HSiNSi. However, they are kinetically stable with respect to this dissociation channel having activation free energy barriers of 19.3 and 23.3 kcal/mol for H3SiXeNSi and H3SiRnNSi, respectively, and 9.2 and 12.8 kcal/mol for HSiXeNSi and HSiRnNSi, respectively. The rest of the possible dissociation channels are endergonic in nature at room temperature for Rn analogues. However, one three-body dissociation channel for H3SiXeNSi and one two-body and one three-body dissociation channels for HSiXeNSi are slightly exergonic in nature at room temperature. They become endergonic at slightly lower temperature. The nature of bonding between Ng and Si/N is analyzed by natural bond order, electron density and energy decomposition analyses. Natural population analysis indicates that they could be best represented as (H3SiNg+(NSi− and (HSiNg+(NSi−. Energy decomposition analysis further reveals that the contribution from the orbital term (ΔEorb is dominant (ca. 67%–75% towards the total attraction energy associated with the Si-Ng bond, whereas the electrostatic term (ΔEelstat contributes the maximum (ca. 66%–68% for the same in the Ng–N bond, implying the covalent nature of the former bond and the ionic nature of the latter.

  8. Performance of quantum Monte Carlo for calculating molecular bond lengths

    Energy Technology Data Exchange (ETDEWEB)

    Cleland, Deidre M., E-mail: deidre.cleland@csiro.au; Per, Manolo C., E-mail: manolo.per@csiro.au [CSIRO Virtual Nanoscience Laboratory, 343 Royal Parade, Parkville, Victoria 3052 (Australia)

    2016-03-28

    This work investigates the accuracy of real-space quantum Monte Carlo (QMC) methods for calculating molecular geometries. We present the equilibrium bond lengths of a test set of 30 diatomic molecules calculated using variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) methods. The effect of different trial wavefunctions is investigated using single determinants constructed from Hartree-Fock (HF) and Density Functional Theory (DFT) orbitals with LDA, PBE, and B3LYP functionals, as well as small multi-configurational self-consistent field (MCSCF) multi-determinant expansions. When compared to experimental geometries, all DMC methods exhibit smaller mean-absolute deviations (MADs) than those given by HF, DFT, and MCSCF. The most accurate MAD of 3 ± 2 × 10{sup −3} Å is achieved using DMC with a small multi-determinant expansion. However, the more computationally efficient multi-determinant VMC method has a similar MAD of only 4.0 ± 0.9 × 10{sup −3} Å, suggesting that QMC forces calculated from the relatively simple VMC algorithm may often be sufficient for accurate molecular geometries.

  9. Effect of interlayer bonding quality of asphalt layers on pavement performance

    Science.gov (United States)

    Jaskula, Piotr; Rys, Dawid

    2017-09-01

    The quality of interlayer bonding at the interfaces between the asphalt layers in flexible pavements affects the overall pavement performance. Lack or partial lack of interlayer bonding between asphalt layers can cause pavement’s premature failures such as rutting, slippage of the wearing course, cracking or simply a reduction in the calculated fatigue life of the pavement structure. This paper shows the case studies of investigation of actual or potential premature failure of newly reconstructed and constructed pavements where low quality of interlayer bonding has a dominant meaning. In situ and laboratory tests were performed and followed by analytical calculation of pavement structure where thicknesses of layers and maximum shear strengths obtained from the tests were used. During the investigation it was found out that a low quality of tack coat as well as the same aggregate gradation in the bonded asphalt mixtures were the main reasons behind the weak quality of interlayer bonding. Partial interlayer bonding has a strong influence on reduction of calculated fatigue life of pavement. The summary of the paper includes recommendations on how to avoid the low quality of interlayer bonding of asphalt layers.

  10. Assessing the Performance of Natural Resource Systems

    Directory of Open Access Journals (Sweden)

    Bruce Campbell

    2002-01-01

    Full Text Available Assessing the performance of management is central to natural resource management, in terms of improving the efficiency of interventions in an adaptive-learning cycle. This is not simple, given that such systems generally have multiple scales of interaction and response; high frequency of nonlinearity, uncertainty, and time lags; multiple stakeholders with contrasting objectives; and a high degree of context specificity. The importance of bounding the problem and preparing a conceptual model of the system is highlighted. We suggest that the capital assets approach to livelihoods may be an appropriate organizing principle for the selection of indicators of system performance. In this approach, five capital assets are recognized: physical, financial, social, natural, and human. A number of principles can be derived for each capital asset; indicators for assessing system performance should cover all of the principles. To cater for multiple stakeholders, participatory selection of indicators is appropriate, although when cross-site comparability is required, some generic indicators are suitable. Because of the high degree of context specificity of natural resource management systems, a typology of landscapes or resource management domains may be useful to allow extrapolation to broader systems. The problems of nonlinearities, uncertainty, and time lags in natural resource management systems suggest that systems modeling is crucial for performance assessment, in terms of deriving "what would have happened anyway" scenarios for comparison to the measured trajectory of systems. Given that a number of indicators are necessary for assessing performance, the question becomes whether these can be combined to give an integrative assessment. We explore five possible approaches: (1 simple additive index, as used for the Human Development Index; (2 derived variables (e.g., principal components as the indices of performance; (3 two-dimensional plots of

  11. 7 CFR Exhibit G to Subpart A of... - Performance Bond

    Science.gov (United States)

    2010-01-01

    ... PROGRAM REGULATIONS CONSTRUCTION AND REPAIR Planning and Performing Construction and Other Development Pt... final settlement between the OWNER or GOVERNMENT and the PRINCIPAL shall abridge the right of the other...

  12. Investigation of field corrosion performance and bond/development length of galvanized reinforcing steel : [tech transfer summary].

    Science.gov (United States)

    2014-12-01

    In reinforced concrete systems, ensuring that a good bond between the : concrete and the embedded reinforcing steel is critical to long-term structural : performance. Without good bond between the two, the system simply cannot : behave as intended. :...

  13. Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule.

    Science.gov (United States)

    Rabanal-León, Walter A; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro

    2014-12-21

    The present work is focused on the elucidation of the electronic structure, bonding nature and optical properties of a series of low symmetry (C2) coordination compounds of type [Ln(III)HAM](3+), where "Ln(III)" are the trivalent lanthanide ions: La(3+), Ce(3+), Eu(3+) and Lu(3+), while "HAM" is the neutral six-nitrogen donor macrocyclic ligand [C22N6H26]. This systematic study has been performed in the framework of the Relativistic Density Functional Theory (R-DFT) and also using a multi-reference approach via the Complete Active Space (CAS) wavefunction treatment with the aim of analyzing their ground state and excited state electronic structures as well as electronic correlation. Furthermore, the use of the energy decomposition scheme proposed by Morokuma-Ziegler and the electron localization function (ELF) allows us to characterize the bonding between the lanthanide ions and the macrocyclic ligand, obtaining as a result a dative-covalent interaction. Due to a great deal of lanthanide optical properties and their technological applications, the absorption spectra of this set of coordination compounds were calculated using the time-dependent density functional theory (TD-DFT), where the presence of the intense Ligand to Metal Charge Transfer (LMCT) bands in the ultraviolet and visible region and the inherent f-f electronic transitions in the Near-Infra Red (NIR) region for some lanthanide ions allow us to propose these systems as "single antenna molecules" with potential applications in NIR technologies.

  14. The impact of interface bonding efficiency on high-burnup spent nuclear fuel dynamic performance

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Hao, E-mail: jiangh@ornl.gov; Wang, Jy-An John; Wang, Hong

    2016-12-01

    Highlights: • To investigate the impact of interfacial bonding efficiency at pellet-pellet and pellet-clad interfaces of high-burnup (HBU) spent nuclear fuel (SNF) on its dynamic performance. • Flexural rigidity, EI = M/κ, estimated from FEA results were benchmarked with SNF dynamic experimental results, and used to evaluate interface bonding efficiency. • Interface bonding efficiency can significantly dictate the SNF system rigidity and the associated dynamic performance. • With consideration of interface bonding efficiency and fuel cracking, HBU SNF fuel property was estimated with SNF static and dynamic experimental data. - Abstract: Finite element analysis (FEA) was used to investigate the impact of interfacial bonding efficiency at pellet-pellet and pellet-clad interfaces of high-burnup (HBU) spent nuclear fuel (SNF) on system dynamic performance. Bending moments M were applied to FEA model to evaluate the system responses. From bending curvature, κ, flexural rigidity EI can be estimated as EI = M/κ. The FEA simulation results were benchmarked with experimental results from cyclic integrated reversal bending fatigue test (CIRFT) of HBR fuel rods. The consequence of interface debonding between fuel pellets and cladding is a redistribution of the loads carried by the fuel pellets to the clad, which results in a reduction in composite rod system flexural rigidity. Therefore, the interface bonding efficiency at the pellet-pellet and pellet-clad interfaces can significantly dictate the SNF system dynamic performance. With the consideration of interface bonding efficiency, the HBU SNF fuel property was estimated with CIRFT test data.

  15. Two methods to simulate intrapulpal pressure: effects upon bonding performance of self-etch adhesives.

    Science.gov (United States)

    Feitosa, V P; Gotti, V B; Grohmann, C V; Abuná, G; Correr-Sobrinho, L; Sinhoreti, M A C; Correr, A B

    2014-09-01

    To evaluate the effects of two methods to simulate physiological pulpal pressure on the dentine bonding performance of two all-in-one adhesives and a two-step self-etch silorane-based adhesive by means of microtensile bond strength (μTBS) and nanoleakage surveys. The self-etch adhesives [G-Bond Plus (GB), Adper Easy Bond (EB) and silorane adhesive (SIL)] were applied to flat deep dentine surfaces from extracted human molars. The restorations were constructed using resin composites Filtek Silorane or Filtek Z350 (3M ESPE). After 24 h using the two methods of simulated pulpal pressure or no pulpal pressure (control groups), the bonded teeth were cut into specimens and submitted to μTBS and silver uptake examination. Results were analysed with two-way anova and Tukey's test (P adhesives. No difference between control and pulpal pressure groups was found for SIL and GB. EB led significant drop (P = 0.002) in bond strength under pulpal pressure. Silver impregnation was increased after both methods of simulated pulpal pressure for all adhesives, and it was similar between the simulated pulpal pressure methods. The innovative method to simulate pulpal pressure behaved similarly to the classic one and could be used as an alternative. The HEMA-free one-step and the two-step self-etch adhesives had acceptable resistance against pulpal pressure, unlike the HEMA-rich adhesive. © 2013 International Endodontic Journal. Published by John Wiley & Sons Ltd.

  16. On the nature of hydrogen bonding between the phosphatidylcholine head group and water and dimethylsulfoxide

    Science.gov (United States)

    Dabkowska, Aleksandra P.; Lawrence, M. Jayne; McLain, Sylvia E.; Lorenz, Christian D.

    2013-01-01

    Molecular dynamics simulations are used to provide a detailed investigation of the hydrogen bond networks around the phosphatidylcholine (PC) head group in 1,2-dipropionyl-sn-glycero-3-phosphocholine in pure water, 10 mol.% and 30 mol.% dimethylsulfoxide (DMSO)-water solutions. Specifically, it is observed that DMSO replaces those water molecules that are within the first solvation shell of the choline, phosphate and ester groups of the PC head group, but are not hydrogen-bonded to the group. The effect of the presence of DMSO on the hydrogen bond network around the PC head groups of the lipid changes with the concentration of DMSO. In comparison to the hydrogen bond network observed in the pure water system, the number of hydrogen-bonded chains of solvent molecules increases slightly for the 10 mol.% DMSO system, while, in the 30 mol.% DMSO system, the number of hydrogen-bonded chains of solvent molecules decreases.

  17. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

    Science.gov (United States)

    Govindasamy, P.; Gunasekaran, S.; Ramkumaar, G. R.

    2014-09-01

    The Fourier transform infrared (FT-IR) and FT-Raman spectra of N-(4-hydroxy phenyl) acetamide (N4HPA) of painkiller agent were recorded in the region 4000-450 cm-1 and 4000-50 cm-1 respectively. Density functional theory (DFT) has been used to calculate the optimized geometrical parameter, atomic charges, and vibrational wavenumbers and intensity of the vibrational bands. The computed vibrational wave numbers were compared with the FT-IR and FT-Raman experimental data. The computational calculations at DFT/B3LYP level with 6-31G(d,p), 6-31++G(d,p), 6-311G(d,p) and 6-311++G(d,p) basis sets. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using Vibrational energy distribution analysis (VEDA 4) program. The oscillator’s strength calculated by TD-DFT and N4HPA is approach complement with the experimental findings. The NMR chemical shifts 13C and 1H were recorded and calculated using the gauge independent atomic orbital (GIAO) method. The molecular electrostatic potential (MESP) and electron density surfaces of the molecule were constructed. The Natural charges and intermolecular contacts have been interpreted using Natural Bond orbital (NBO) analysis the HOMO-LUMO energy gap has been calculated. The thermodynamic properties like entropy, heat capacity and zero vibrational energy have been calculated.

  18. Adhesive Bonding and Corrosion Performance Investigated as a Function of Aluminum Oxide Chemistry and Adhesives

    NARCIS (Netherlands)

    Abrahami, S.T.; Hauffman, T.; de Kok, John M.M.; Terryn, H.A.; Mol, J.M.C.

    2017-01-01

    The long-term strength and durability of an adhesive bond is dependent on the stability of the oxide-adhesive interface. As such, changes in the chemistry of the oxide and/or the adhesive are expected to modify the interfacial properties and affect the joint performance in practice. The upcoming

  19. Environmental, Social and Governance (ESG) performance and sovereign bond spreads : an empirical analysis of OECD countries

    NARCIS (Netherlands)

    Capelle-Blancard, Gunther; Crifo, Patricia; Oueghlissi, Rim; Scholtens, Bert

    2017-01-01

    What are the determinants of borrowing cost in international capital markets? Apart from macroeconomic fundamentals, are there any qualitative factors that might capture sovereign bond spreads? In this paper we consider to what extent Environmental, social and governance (ESG) performance can affect

  20. 31 CFR 585.518 - Certain standby letters of credit and performance bonds.

    Science.gov (United States)

    2010-07-01

    ... Certain standby letters of credit and performance bonds. (a) Notwithstanding any other provision of law... license authorizing the account party to establish a blocked account on its books in the name of the FRY... reimbursement that is required by applicable law. (c) Where there is outstanding a demand for payment under a...

  1. 31 CFR 535.568 - Certain standby letters of credit and performance bonds.

    Science.gov (United States)

    2010-07-01

    ... credit and performance bonds. (a) Notwithstanding any other provision of law, payment into a blocked... authorizing the account party to establish a blocked account on its books in the name of the Iranian entity in... that it has established the blocked account on its books as provided for in those paragraphs. However...

  2. Spunlaced and chemically bonded nonwovens for filtration applications: Performance evaluation and comparison

    CSIR Research Space (South Africa)

    Boguslavsky, L

    2008-11-01

    Full Text Available . The physical, mechanical and performance properties were measured and compared. It was concluded that chemical bonding had a higher effect on the fabric structural changes, such as pore size and its distribution. The results showed an improvement in dust...

  3. Creditor Rights, Claims Enforcement, and Bond Performance in Mergers and Acquisitions

    NARCIS (Netherlands)

    Renneboog, Luc; Szilagyi, Peter; Vansteenkiste, Cara

    2017-01-01

    This paper shows that country-level differences in creditor protection affect bond performance around cross-border M&A announcements. Using Eurobonds and a global sample of 1,100 cross-border M&As, we find that the bondholders of bidding firms respond more positively to deals that expose their firm

  4. Performance and Reliability of Bonded Interfaces for High-Temperature Packaging (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Devoto, D.

    2014-11-01

    The thermal performance and reliability of sintered-silver is being evaluated for power electronics packaging applications. This will be experimentally accomplished by the synthesis of large-area bonded interfaces between metalized substrates that will be subsequently subjected to thermal cycles. A finite element model of crack initiation and propagation in these bonded interfaces will allow for the interpretation of degradation rates by a crack-velocity (V)-stress intensity factor (K) analysis. The experiment is outlined, and the modeling approach is discussed.

  5. Methacrylate-bonded covalent-organic framework monolithic columns for high performance liquid chromatography.

    Science.gov (United States)

    Liu, Li-Hua; Yang, Cheng-Xiong; Yan, Xiu-Ping

    2017-01-06

    Covalent-organic frameworks (COFs) are a newfangled class of intriguing microporous materials. Considering their unique properties, COFs should be promising as packing materials for high performance liquid chromatography (HPLC). However, the irregular shape and sub-micrometer size of COFs synthesized via the traditional methods render the main obstacles for the application of COFs in HPLC. Herein, we report the preparation of methacrylate-bonded COF monolithic columns for HPLC to overcome the above obstacles. The prepared COF bonded monolithic columns not only show good homogeneity and permeability, but also give high column efficiency, good resolution and precision for HPLC separation of small molecules including polycyclic aromatic hydrocarbons, phenols, anilines, nonsteroidal anti-inflammatory drugs and benzothiophenes. Compared with the bare polymer monolithic column, the COF bonded monolithic columns show enhanced hydrophobic, π-π and hydrogen bond interactions in reverse phase HPLC. The results reveal the great potential of COF bonded monoliths for HPLC and COFs in separation sciences. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. Watson-Crick hydrogen bonds : Nature and role in DNA replication

    NARCIS (Netherlands)

    Guerra, Célia Fonseca; Bickelhaupt, F. Matthias

    2006-01-01

    The hydrogen bonds in DNA Watson–Crick base pairs have long been considered predominantly electrostatic phenomena. In this chapter, we show with state-of-the-art calculations that this is not true and that electrostatic interactions and covalent contributions in these hydrogen bonds are in fact of

  7. Performance of Several Density Functional Theory Methods on Describing Hydrogen-Bond Interactions.

    Science.gov (United States)

    Rao, Li; Ke, Hongwei; Fu, Gang; Xu, Xin; Yan, Yijing

    2009-01-13

    We have investigated eleven density functionals, including LDA, PBE, mPWPW91, TPSS, B3LYP, X3LYP, PBE0, O3LYP, B97-1, MPW1K, and TPSSh, for their performances on describing hydrogen bond (HB) interactions. The emphasis has been laid not only on their abilities to calculate the intermolecular hydrogen bonding energies but also on their performances in predicting the relative energies of intermolecular H-bonded complexes and the conformer stabilities due to intramolecular hydrogen bondings. As compared to the best theoretical values, we found that although PBE and PBE0 gave the best estimation of HB strengths, they might fail to predict the correct order of relative HB energies, which might lead to a wrong prediction of the global minimum for different conformers. TPSS and TPSSh did not always improve over PBE and PBE0. B3LYP was found to underestimate the intermolecular HB strengths but was among the best performers in calculating the relative HB energies. We showed here that X3LYP and B97-1 were able to give good values for both absolute HB strengths and relative HB energies, making these functionals good candidates for HB description.

  8. A theoretical perspective of the nature of hydrogen-bond types - the atoms in molecules approach

    Science.gov (United States)

    Vijaya Pandiyan, B.; Kolandaivel, P.; Deepa, P.

    2014-06-01

    Hydrogen bonds and their strength were analysed based on their X-H proton-donor bond properties and the parameters of the H-Y distance (Y proton acceptor). Strong, moderate and weak interactions in hydrogen-bond types were verified through the proton affinities of bases (PA), deprotanation enthalpies of acids (DPE) and the chemical shift (σ). The aromaticity and anti-aromaticity were analysed by means of the NICS (0) (nucleus-independent chemical shift), NICS (1) and ΔNICS (0), ΔNICS (1) of hydrogen-bonded molecules. The strength of a hydrogen bond depends on the capacity of hydrogen atom engrossing into the electronegative acceptor atom. The correlation between the above parameters and their relations were discussed through curve fitting. Bader's theory of atoms in molecules has been applied to estimate the occurrence of hydrogen bonds through eight criteria reported by Popelier et al. The lengths and potential energy shifts have been found to have a strong negative linear correlation, whereas the lengths and Laplacian shifts have a strong positive linear correlation. This study illustrates the common factors responsible for strong, moderate and weak interactions in hydrogen-bond types.

  9. Water’s dual nature and its continuously changing hydrogen bonds

    International Nuclear Information System (INIS)

    Henchman, Richard H

    2016-01-01

    A model is proposed for liquid water that is a continuum between the ordered state with predominantly tetrahedral coordination, linear hydrogen bonds and activated dynamics and a disordered state with a continuous distribution of multiple coordinations, multiple types of hydrogen bond, and diffusive dynamics, similar to that of normal liquids. Central to water’s heterogeneous structure is the ability of hydrogen to donate to either one acceptor in a conventional linear hydrogen bond or to multiple acceptors as a furcated hydrogen. Linear hydrogen bonds are marked by slow, activated kinetics for hydrogen-bond switching to more crowded acceptors and sharp first peaks in the hydrogen-oxygen radial distribution function. Furcated hydrogens, equivalent to free, broken, dangling or distorted hydrogens, have barrierless, rapid kinetics and poorly defined first peaks in their hydrogen-oxygen radial distribution function. They involve the weakest donor in a local excess of donors, such that barrierless whole-molecule vibration rapidly swaps them between the linear and furcated forms. Despite the low number of furcated hydrogens and their transient existence, they are readily created in a single hydrogen-bond switch and free up the dynamics of numerous surrounding molecules, bringing about the disordered state. Hydrogens in the ordered state switch with activated dynamics to make the non-tetrahedral coordinations of the disordered state, which can also combine to make the ordered state. Consequently, the ordered and disordered states are both connected by diffusive dynamics and differentiated by activated dynamics, bringing about water’s continuous heterogeneity. (paper)

  10. PERFORMANCE IN ART NATURE AND MEANING

    African Journals Online (AJOL)

    USER

    2012-04-25

    Apr 25, 2012 ... of adequate learning environment would affect standard in primary education ... All the variables involved in the physical, social and psychological ..... the nature of discipline, sports, leisure facilities and the standard which the.

  11. Experimental Assessment on the Flexural Bonding Performance of Concrete Beam with GFRP Reinforcing Bar under Repeated Loading

    Directory of Open Access Journals (Sweden)

    Minkwan Ju

    2015-01-01

    Full Text Available This study intends to investigate the flexural bond performance of glass fiber-reinforced polymer (GFRP reinforcing bar under repeated loading. The flexural bond tests reinforced with GFRP reinforcing bars were carried out according to the BS EN 12269-1 (2000 specification. The bond test consisted of three loading schemes: static, monotonic, and variable-amplitude loading to simulate ambient loading conditions. The empirical bond length based on the static test was 225 mm, whereas it was 317 mm according to ACI 440 1R-03. Each bond stress on the rib is released and bonding force is enhanced as the bond length is increased. Appropriate level of bond length may be recommended with this energy-based analysis. For the monotonic loading test, the bond strengths at pullout failure after 2,000,000 cycles were 10.4 MPa and 6.5 MPa, respectively: 63–70% of the values from the static loading test. The variable loading test indicated that the linear cumulative damage theory on GFRP bonding may not be appropriate for estimating the fatigue limit when subjected to variable-amplitude loading.

  12. On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds

    NARCIS (Netherlands)

    Vlaisavljevich, Bess; Mirõ, Pere; Cramer, Christopher J.; Gagliardi, Laura; Infante, Ivan; Liddle, Stephen T.

    2011-01-01

    Eleven experimentally characterized complexes containing heterobimetallic bonds between elements of the f-block and other elements were examined by quantum chemical methods: [(η(5)-C(5)H(5))(2)(THF)LuRu(η(5)-C(5)H(5))(CO)(2)], [(η(5)-C(5)Me(5))(2)(I)ThRu(η(5)-C(5)H(5))(CO)(2)],

  13. A theoretical perspective of the nature of hydrogen-bond types - the atoms in molecules approach

    Czech Academy of Sciences Publication Activity Database

    Pandiyan, B. V.; Kolandaivel, P.; Deepa, Palanisamy

    2014-01-01

    Roč. 112, č. 12 (2014), s. 1609-1623 ISSN 0026-8976 Institutional support: RVO:61388963 Keywords : hydrogen bond * proton affinity * deprotanation enthalpy * atoms in molecules * chemical shift Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2014

  14. The nature of hydrogen bonding in R-2(2)(8) crystal motifs - a computational exploration

    Czech Academy of Sciences Publication Activity Database

    Deepa, Palanisamy; Solomon, R. V.; Vedha, S. A.; Kolandaivel, P.; Venuvanalingam, P.

    2014-01-01

    Roč. 112, č. 24 (2014), s. 3195-3205 ISSN 0026-8976 Institutional support: RVO:61388963 Keywords : NCI plot * hydrogen bonds * R-2(2)(8) motif * organic crystals * NBO * QTAIM analysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2014

  15. The Nature of the Idealized Triple Bonds Between Principal Elements and the σ Origins of Trans-Bent Geometries-A Valence Bond Study.

    Science.gov (United States)

    Ploshnik, Elina; Danovich, David; Hiberty, Philippe C; Shaik, Sason

    2011-04-12

    We describe herein a valence bond (VB) study of 27 triply bonded molecules of the general type X≡Y, where X and Y are main element atoms/fragments from groups 13-15 in the periodic table. The following conclusions were derived from the computational data: (a) Single π-bond and double π-bond energies for the entire set correlate with the "molecular electronegativity", which is the sum of the X and Y electronegativites for X≡Y. The correlation with the molecular electronegativity establishes a simple rule of periodicity: π-bonding strength generally increases from left to right in a period and decreases down a column in the periodic table. (b) The σ frame invariably prefers trans bending, while π-bonding gets destabilized and opposes the trans distortion. In HC≡CH, the π-bonding destabilization overrides the propensity of the σ frame to distort, while in the higher row molecules, the σ frame wins out and establishes trans-bent molecules with 2(1)/2 bonds, in accord with recent experimental evidence based on solid state (29)Si NMR of the Sekiguchi compound. Thus, in the trans-bent molecules "less bonds pay more". (c) All of the π bonds show significant bonding contributions from the resonance energy due to covalent-ionic mixing. This quantity is shown to correlate linearly with the corresponding "molecular electronegativity" and to reflect the mechanism required to satisfy the equilibrium condition for the bond. The π bonds for molecules possessing high molecular electronegativity are charge-shift bonds, wherein bonding is dominated by the resonance energy of the covalent and ionic forms, rather than by either form by itself.

  16. Coherent control of bond making: the performance of rationally phase-shaped femtosecond laser pulses

    International Nuclear Information System (INIS)

    Levin, Liat; Amitay, Zohar; Skomorowski, Wojciech; Koch, Christiane P; Kosloff, Ronnie

    2015-01-01

    The first step in the coherent control of a photoinduced binary reaction is bond making or photoassociation. We have recently demonstrated coherent control of bond making in multi-photon femtosecond photoassociation of hot magnesium atoms, using linearly chirped pulses (Levin et al 2015 Phys. Rev. Lett. 114 233003). The detected yield of photoassociated magnesium dimers was enhanced by positively chirped pulses which is explained theoretically by a combination of purification and chirp-dependent Raman transitions. The yield could be further enhanced by pulse optimization resulting in pulses with an effective linear chirp and a sub-pulse structure, where the latter allows for exploiting vibrational coherences. Here, we systematically explore the efficiency of phase-shaped pulses for the coherent control of bond making, employing a parametrization of the spectral phases in the form of cosine functions. We find up to an order of magnitude enhancement of the yield compared to the unshaped transform-limited pulse. The highly performing pulses all display an overall temporally increasing instantaneous frequency and are composed of several overlapping sub-pulses. The time delay between the first two sub-pulses fits very well the vibrational frequency of the generated intermediate wavepacket. These findings are in agreement with chirp-dependent Raman transitions and exploitation of vibrational dynamics as underlying control mechanisms. (paper)

  17. Effect of ultrasonic instrumentation on the bond strength of crowns cemented with zinc phosphate cement to natural teeth. An in vitro study

    Directory of Open Access Journals (Sweden)

    Antonio Braulino de Melo Filho

    2008-09-01

    Full Text Available Several studies have reported the benefits of sonic and/or ultrasonic instrumentation for root debridement, with most of them focusing on changes in periodontal clinical parameters. The present study investigated possible alterations in the tensile bond strength of crowns cemented with zinc phosphate cement to natural teeth after ultrasonic instrumentation. Forty recently extracted intact human third molars were selected, cleaned and stored in physiologic serum at 4°C. They received standard preparations, at a 16º convergence angle, and AgPd alloy crowns. The crowns were cemented with zinc phosphate cement and then divided into four groups of 10 teeth each. Each group was then subdivided into two subgroups, with one of the subgroups being submitted to 5,000 thermal cycles ranging from 55 ± 2 to 5 ± 2°C, while the other was not. Each group was submitted to ultrasonic instrumentation for different periods of time: group 1 - 0 min (control, group 2 - 5 min, group 3 - 10 min, and group 4 - 15 min. Tensile bond strength tests were performed with an Instron testing machine (model 4310. Statistical analysis was performed using ANOVA and Tukey's test at the 5% level of significance. A significant reduction in the tensile bond strength of crowns cemented with zinc phosphate and submitted to thermal cycles was observed at 15 min (196.75 N versus 0 min = 452.01 N, 5 min = 444.23 N and 10 min = 470.85 N. Thermal cycling and ultrasonic instrumentation for 15 min caused a significant reduction in tensile bond strength (p < .05.

  18. Characteristics of enzyme hydrolyzing natural covalent bond between RNA and protein VPg of encephalomyocarditis virus

    International Nuclear Information System (INIS)

    Drygin, Yu.F.; Siyanova, E.Yu.

    1986-01-01

    The isolation and a preliminary characterization of the enzyme specifically hydrolyzing the phosphodiester bond between protein VPg and the RNA of encephalomyocarditis virus was the goal of the present investigation. The enzyme was isolated from a salt extract of Krebs II mouse ascites carcinoma cells by ion-exchange and affinity chromatography. It was found that the enzyme actually specifically cleaves the covalent bond between the RNA and protein, however, the isolation procedure does not free the enzyme from impurities which partially inhibit it. The enzyme cleaves the RNA-protein VPg complex of polio virus at a high rate, it is completely inactivated at 55 0 C, and is partially inhibited by EDTA

  19. Dioxines, furans and other pollutants emissions bond to the combustion of natural and additive woods

    International Nuclear Information System (INIS)

    Collet, S.

    2000-02-01

    This report deals especially on the dioxines and furans bond to the combustion of wood in industrial furnaces and domestic furnaces. It aims to define the environmental strategy which would allow the combustion of wood residues to produce energy. The first part recalls general aspects concerning the wood. The six other parts presents the wood resources and wastes, the additive used, the combustion and the different factors of combustion and finally the pollutants emissions. (A.L.B.)

  20. Infrared study of the nature of the copper ion--alkyne bond in Y zeolite

    International Nuclear Information System (INIS)

    Pichat, P.

    1975-01-01

    The infrared spectra of acetylene, deuterated acetylene, propyne, and but-2-yne, chemisorbed in Cu, Na--Y zeolites, which have undergone various treatments, were studied. It is concluded that the OH groups interact only with the weakly absorbed molecules, the Cu + ions are not involved, the acetylenic hydrogen atoms do not take part in the bonding, the Cu 2+ ion--alkyne bone results mainly from π donation from the unsaturated hydrocarbon to the metallic ion. (auth)

  1. PERFORMANCE IN ART NATURE AND MEANING

    African Journals Online (AJOL)

    USER

    2012-04-25

    Apr 25, 2012 ... Applied Art, serving the commercial purposes Graphics, Textiles Ceramics,. Printing and Performing Art. Others are Art History, Art Education Craft, ... Graphics. Today Metal design and Fashion Design have been identified as.

  2. PERFORMANCE IN ART NATURE AND MEANING

    African Journals Online (AJOL)

    USER

    2012-04-25

    Apr 25, 2012 ... Graduate Employees for Effective Job Performance in. Organizations ... increase employee motivation and satisfaction (Stonner, Gilbert and. Freeman, 2000). .... The ability to cooperate with others, work under stress and to.

  3. Nature of the bonding in the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) molecules. Topological study on electron density and the electron localization function (ELF).

    Science.gov (United States)

    Makarewicz, Emilia; Gordon, Agnieszka J; Berski, Slawomir

    2015-03-19

    Topological analysis of the electron localization function (ELF) has been carried out for the AuNgX (Ng = Ar, Kr, Xe; X = F, Cl, Br, I) molecules using the wave function approximated by the CCSD, MP2, and DFT(B3LYP, M062X) methods including zero-order regular approximation (ZORA). In the Ng-F bond, the bonding disynaptic attractor V(Ng,F) is missing; therefore, there are no signs of the covalent binding. The nature of the Au-Ng bond depends on the computational method used. Analysis of the ELF carried out for the AuArF and AuXeF molecules, with the wave function approximated by the CCSD and MP2 methods, shows the V(Au,Ng) attractor possibly corresponding to a partially covalent binding between the gold and noble gas atom. However, its very small basin population (<1e) and a very large value of the variance of the basin population suggest that the Au-Ng bond has a very delocalized character. Such bond nature may be related to the charge shift concept with a resonance of the Au(-+)NgX, Au(+-)NgX hybrids. The weakest Au-Ng bond, in terms of the smallest amount of electron density for the V(Au,Ng) basin, is found for the AuKrF molecule with the CCSD method (0.13e). The MP2 method, however, does not yield any V(Au, Ng) population; hence, the covalent Au-Kr bond is not confirmed. Because the V(Au,Ng) attractor is also not observed with the DFT method, the proper characterization of the Au-Ng bond requires proper description of correlation effects. Additional studies on the Au2 and [AuXe](+) molecules, performed at the CCSD and B3LYP levels, exhibit no V(Au,Au) and V(Au,Xe) bonding basins either.

  4. Strength order and nature of the π-hole bond of cyanuric chloride and 1,3,5-triazine with halide.

    Science.gov (United States)

    Wang, Hui; Li, Chen; Wang, Weizhou; Jin, Wei Jun

    2015-08-28

    The (13)C NMR chemical shift moving upfield indicates the main model of π-holeX(-) bond between cyanuric chloride/1,3,5-triazine (3ClN/3N), which possess both the π-hole and σ-hole, and X(-). (13)C NMR and UV absorption titration in acetonitrile confirmed that the bonding abilities of 3ClN/3N with X(-) follow the order I(-) > Br(-) > Cl(-), which is apparently the order of the charge transfer ability of halide to 3ClN/3N. Chemical calculations showed that the bonding abilities in solution were essentially consistent with those obtained by titration experiments. However, the results in the gas phase were the reverse, i.e., π-holeCl(-) > π-holeBr(-) > π-holeI(-) in bonding energy, which obeys the order of electrostatic interaction. In fact, the π-hole bond and σ-hole bond compete with solvation and possible anion-hydrogen bond between a solvent molecule and a halide in solution. An explanation is that the apparent charge transfer order of π-/σ-holeI(-) > π-/σ-holeBr(-) > π-/σ-holeCl(-) occurs for weak π-hole bonds and σ-hole bonds, whereas the order of electrostatic attraction of π-/σ-holeCl(-) > π-/σ-holeBr(-) > π-/σ-holeI(-) is valid for strong bonds. It can be concluded by combining energy decomposition analysis and natural bond orbital analysis that the π-holeX(-) bond and σ-holeX(-) bond are electrostatically attractive in nature regardless of whether the order is I(-) > Br(-) > Cl(-) or the reverse.

  5. Structural and Energetic Impact of Non-Natural 7-Deaza-8-Azaadenine and its 7-Substituted Derivatives on H-Bonding Potential with Uracil in RNA Molecules

    KAUST Repository

    Chawla, Mohit; Credendino, Raffaele; Oliva, Romina; Cavallo, Luigi

    2015-01-01

    Non-natural (synthetic) nucleobases, including 7-ethynyl- and 7-triazolyl-8-aza-7-deazaadenosine, have been introduced in RNA molecules for targeted applications, and have been characterized experimentally. However, no theoretical characterization of the impact of these modifications on the structure and energetics of the corresponding H-bonded base pair is available. To fill this gap, we performed quantum mechanics calculations, starting with the analysis of the impact of the 8-aza-7-deaza modification of the adenosine skeleton, and we moved then to analyze the impact of the specific substituents on the modified 8-aza-7-deazaadenosine. Our analysis indicates that, despite of these severe structural modifications, the H-bonding properties of the modified base pair gratifyingly replicate those of the unmodified base pair. Similar behavior is predicted when the same skeleton modifications are applied to guanosine when paired to cytosine. To stress further the H-bonding pairing in the modified adenosine-uracil base pair, we explored the impact of strong electron donor and electron withdrawing substituents on the C7 position. Also in this case we found minimal impact on the base pair geometry and energy, confirming the validity of this modification strategy to functionalize RNAs without perturbing its stability and biological functionality.

  6. Structural and Energetic Impact of Non-Natural 7-Deaza-8-Azaadenine and its 7-Substituted Derivatives on H-Bonding Potential with Uracil in RNA Molecules

    KAUST Repository

    Chawla, Mohit

    2015-09-21

    Non-natural (synthetic) nucleobases, including 7-ethynyl- and 7-triazolyl-8-aza-7-deazaadenosine, have been introduced in RNA molecules for targeted applications, and have been characterized experimentally. However, no theoretical characterization of the impact of these modifications on the structure and energetics of the corresponding H-bonded base pair is available. To fill this gap, we performed quantum mechanics calculations, starting with the analysis of the impact of the 8-aza-7-deaza modification of the adenosine skeleton, and we moved then to analyze the impact of the specific substituents on the modified 8-aza-7-deazaadenosine. Our analysis indicates that, despite of these severe structural modifications, the H-bonding properties of the modified base pair gratifyingly replicate those of the unmodified base pair. Similar behavior is predicted when the same skeleton modifications are applied to guanosine when paired to cytosine. To stress further the H-bonding pairing in the modified adenosine-uracil base pair, we explored the impact of strong electron donor and electron withdrawing substituents on the C7 position. Also in this case we found minimal impact on the base pair geometry and energy, confirming the validity of this modification strategy to functionalize RNAs without perturbing its stability and biological functionality.

  7. Performance and Reliability of Bonded Interfaces for High-temperature Packaging: Annual Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    DeVoto, Douglas J. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2017-10-19

    As maximum device temperatures approach 200 °Celsius, continuous operation, sintered silver materials promise to maintain bonds at these high temperatures without excessive degradation rates. A detailed characterization of the thermal performance and reliability of sintered silver materials and processes has been initiated for the next year. Future steps in crack modeling include efforts to simulate crack propagation directly using the extended finite element method (X-FEM), a numerical technique that uses the partition of unity method for modeling discontinuities such as cracks in a system.

  8. Composition Effects on Aluminide Oxidation Performance: Objectives for Improved Bond Coats

    International Nuclear Information System (INIS)

    Pint, BA

    2001-01-01

    Formerly, the role of metallic coatings on Ni-base superalloys was simply to limit environmental attack of the underlying substrate. However, a new paradigm has been established for metallic coatings adapted as bond coats for thermal barrier coatings. It is no longer sufficient for the coating to just minimize the corrosion rate. The metallic coating must also form a slow-growing external Al(sub 2)O(sub 3) layer beneath the overlying low thermal conductivity ceramic top coat. This thermally grown oxide or scale must have near-perfect adhesion in order to limit spallation of the top coat, thereby achieving a long coating lifetime. While oxidation is not the only concern in complex thermal barrier coating systems, it is, however, a primary factor in developing the next generation of bond coats. Therefore, a set of compositional guidelines for coatings is proposed in order to maximize oxidation performance. These criteria are based on test results of cast alloy compositions to quantify an d understand possible improvements as a basis for further investigations using coatings made by chemical vapor deposited (CVD). Experimental work includes furnace cycle testing and in-depth characterization of the alumina scale, including transmission electron microscopy (TEM)

  9. Big Area Additive Manufacturing of High Performance Bonded NdFeB Magnets

    Science.gov (United States)

    Li, Ling; Tirado, Angelica; Nlebedim, I. C.; Rios, Orlando; Post, Brian; Kunc, Vlastimil; Lowden, R. R.; Lara-Curzio, Edgar; Fredette, Robert; Ormerod, John; Lograsso, Thomas A.; Paranthaman, M. Parans

    2016-10-01

    Additive manufacturing allows for the production of complex parts with minimum material waste, offering an effective technique for fabricating permanent magnets which frequently involve critical rare earth elements. In this report, we demonstrate a novel method - Big Area Additive Manufacturing (BAAM) - to fabricate isotropic near-net-shape NdFeB bonded magnets with magnetic and mechanical properties comparable or better than those of traditional injection molded magnets. The starting polymer magnet composite pellets consist of 65 vol% isotropic NdFeB powder and 35 vol% polyamide (Nylon-12). The density of the final BAAM magnet product reached 4.8 g/cm3, and the room temperature magnetic properties are: intrinsic coercivity Hci = 688.4 kA/m, remanence Br = 0.51 T, and energy product (BH)max = 43.49 kJ/m3 (5.47 MGOe). In addition, tensile tests performed on four dog-bone shaped specimens yielded an average ultimate tensile strength of 6.60 MPa and an average failure strain of 4.18%. Scanning electron microscopy images of the fracture surfaces indicate that the failure is primarily related to the debonding of the magnetic particles from the polymer binder. The present method significantly simplifies manufacturing of near-net-shape bonded magnets, enables efficient use of rare earth elements thus contributing towards enriching the supply of critical materials.

  10. Cooperativity of hydrogen-bonded networks in 7-azaindole(CH3OH)n (n=2,3) clusters evidenced by IR-UV ion-dip spectroscopy and natural bond orbital analysis.

    Science.gov (United States)

    Sakota, Kenji; Kageura, Yutaka; Sekiya, Hiroshi

    2008-08-07

    IR-UV ion-dip spectra of the 7-azaindole (7AI)(CH(3)OH)(n) (n=1-3) clusters have been measured in the hydrogen-bonded NH and OH stretching regions to investigate the stable structures of 7AI(CH(3)OH)(n) (n=1-3) in the S(0) state and the cooperativity of the H-bonding interactions in the H-bonded networks. The comparison of the IR-UV ion-dip spectra with IR spectra obtained by quantum chemistry calculations shows that 7AI(CH(3)OH)(n) (n=1-3) have cyclic H-bonded structures, where the NH group and the heteroaromatic N atom of 7AI act as the proton donor and proton acceptor, respectively. The H-bonded OH stretch fundamental of 7AI(CH(3)OH)(2) is remarkably redshifted from the corresponding fundamental of (CH(3)OH)(2) by 286 cm(-1), which is an experimental manifestation of the cooperativity in H-bonding interaction. Similarly, two localized OH fundamentals of 7AI(CH(3)OH)(3) also exhibit large redshifts. The cooperativity of 7AI(CH(3)OH)(n) (n=2,3) is successfully explained by the donor-acceptor electron delocalization interactions between the lone-pair orbital in the proton acceptor and the antibonding orbital in the proton donor in natural bond orbital (NBO) analyses.

  11. Thermal Performance and Reliability Characterization of Bonded Interface Materials (BIMs): Preprint

    Energy Technology Data Exchange (ETDEWEB)

    DeVoto, D.; Paret, P.; Mihalic, M.; Narumanchi, S.; Bar-Cohen, A.; Matin, K.

    2014-08-01

    Thermal interface materials are an important enabler for low thermal resistance and reliable electronics packaging for a wide array of applications. There is a trend towards bonded interface materials (BIMs) because of their potential for low thermal resistivity (< 1 mm2K/W). However, BIMs induce thermomechanical stresses in the package and can be prone to failures and integrity risks. Deteriorated interfaces can result in high thermal resistance in the package and degradation and/or failure of the electronics. DARPA's Thermal Management Technologies program has addressed this challenge, supporting the development of mechanically-compliant, low resistivity nano-thermal interface (NTI) materials. In this work, we describe the testing procedure and report the results of NREL's thermal performance and reliability characterization of an initial sample of four different NTI-BIMs.

  12. Performance Study of the Natural Rubber Composite with Clay Minerals

    International Nuclear Information System (INIS)

    Nyo Nyo Myint; Tin Tin Aye; Kyaw Myo Naing; Nyunt Wynn

    2008-03-01

    The preparation, characterization and some applications of natural rubber clay composite have been studied. This study investigated the possibility of natural rubber latex to replace some part of natural clays. In formulation of rubber clay composite from natural rubber latex and various clay minerals, three main steps were involved (i) preparation of latex cream (ii) prevulcanization of latex cream (iii) mixing vulcanized latex compound, with other ingredients. In each step, several parameters have been carefully investigated to optimize the performance of natural rubber clay composite production. The composite products were of better quality and can be considered to be more cost effective.

  13. On the bonding nature of electron states for the Fe-Mo double perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Carvajal, E.; Cruz-Irisson, M. [ESIME-Culhuacán, Instituto Politécnico Nacional, Av. Santa Ana 1000, C.P. 04430, México, D.F. (Mexico); Oviedo-Roa, R. [Programa de Investigación en Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas Norte 152, C.P. 07730, México, D.F. (Mexico); Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, A.P. 70-360, 04510, México, D.F. (Mexico)

    2014-05-15

    The electronic transport as well as the effect of an external magnetic field has been investigated on manganese-based materials, spinels and perovskites. Potential applications of double perovskites go from magnetic sensors to electrodes in solid-oxide fuel cells; besides the practical interests, it is known that small changes in composition modify radically the physical properties of double perovskites. We have studied the Sr{sub 2}FeMoO{sub 6} double perovskite compound (SFMO) using first-principles density functional theory. The calculations were done within the generalized gradient approximation (GGA) scheme with the Perdew-Burke-Ernzerhof (PBE) functional. We have made a detailed analysis of each electronic state and the charge density maps around the Fermi level. For the electronic properties of SFMO it was used a primitive cell, for which we found the characteristic half-metallic behavior density of states composed by e{sub g} and t{sub 2g} electrons from Fe and Mo atoms. Those peaks were tagged as bonding or antibonding around the Fermi level at both, valence and conduction bands.

  14. [Separation of purines, pyrimidines, pterins and flavonoids on magnolol-bonded silica gel stationary phase by high performance liquid chromatography].

    Science.gov (United States)

    Chen, Hong; Li, Laishen; Zhang, Yang; Zhou, Rendan

    2012-10-01

    A new magnolol-bonded silica gel stationary phase (MSP) was used to separate the basic drugs including four purines, eight pyrimidines, four pterins and five flavonoids as polar representative samples by high performance liquid chromatography (HPLC). To clarify the separation mechanism, a commercial ODS column was also tested under the same chromatographic conditions. The high selectivities and fast baseline separations of the above drugs were achieved by using simple mobile phases on MSP. Although there is no end-caped treatment, the peak shapes of basic drugs containing nitrogen such as purines, pyrimidines and pterins were rather symmetrical on MSP, which indicated the the magnolol as ligand with multi-sites could shield the side effect of residual silanol groups on the surface of silica gel. Although somewhat different in the separation resolution, it was found that the elution orders of some drugs were generally similar on both MSP and ODS. The hydrophobic interaction should play a significant role in the separations of the above basic drugs, which was attributed to their reversed-phase property in the nature. However, MSP could provide the additional sites for many polar solutes, which was a rational explanation for the high selectivity of MSP. For example, in the separation of purines, pyrimidines and pterins on MSP, hydrogen-bonding and dipole-dipole interactions played leading roles besides hydrophobic interaction. Some solute molecules (such as mercaptopurine, vitexicarpin) and MSP can form the strong pi-pi stacking in the separation process. All enhanced the retention and improved the separation selectivity of MSP, which facilitated the separation of the basic drugs.

  15. Solder bond requirement for large, built-up, high-performance conductors

    International Nuclear Information System (INIS)

    Willig, R.L.

    1981-01-01

    Some large built-up conductors fabricated for large superconducting magnets are designed to operate above the maximum recovery current. Because the stability of these conductors is sensitive to the quality of the solder bond joining the composite superconductor to the high-conductivity substrate, a minimum bond requirement is necessary. The present analysis finds that the superconductor is unstable and becomes abruptly resistive when there are temperature excursions into the current sharing region of a poorly bonded conductor. This abrupt transition, produces eddy current heating in the vicinity of the superconducting filaments and causes a sharp reduction in the minimum propagating zone (MPZ) energy. This sensitivity of the MPZ energy to the solder bond contact area is used to specify a minimum bond requirement. For the superconducting MHD magnet built for the Component Development Integration Facility (CDIF), the minimum bonded surface area is .68 cm/sup 2//cm which is 44% of the composite perimeter. 5 refs

  16. Application of Time-Dependent Density Functional and Natural Bond Orbital Theories to the UV-vis Absorption Spectra of Some Phenolic Compounds.

    Science.gov (United States)

    Marković, Svetlana; Tošović, Jelena

    2015-09-03

    The UV-vis properties of 22 natural phenolic compounds, comprising anthraquinones, neoflavonoids, and flavonoids were systematically examined. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP, B3LYP-D2, B3P86, and M06-2X functionals was used to simulate the UV-vis spectra of the investigated compounds. It was shown that all methods exhibit very good (B3LYP slightly better) performance in reproducing the examined UV-vis spectra. However, the shapes of the Kohn-Sham molecular orbitals (MOs) involved in electronic transitions were misleading in constructing the MO correlation diagrams. To provide better understanding of redistribution of electron density upon excitation, the natural bond orbital (NBO) analysis was applied. Bearing in mind the spatial and energetic separations, as well as the character of the π bonding, lone pair, and π* antibonding natural localized molecular orbitals (NLMOs), the "NLMO clusters" were constructed. NLMO cluster should be understood as a part of a molecule characterized with distinguished electron density. It was shown that all absorption bands including all electronic transitions need to be inspected to fully understand the UV-vis spectrum of a certain compound, and, thus, to learn more about its UV-vis light absorption. Our investigation showed that the TDDFT and NBO theories are complementary, as the results from the two approaches can be combined to interpret the UV-vis spectra. Agreement between the predictions of the TDDFT approach and those based on the NLMO clusters is excellent in the case of major electronic transitions and long wavelengths. It should be emphasized that the approach for investigation of UV-vis light absorption based on the NLMO clusters is applied for the first time.

  17. Big Area Additive Manufacturing of High Performance Bonded NdFeB Magnets.

    Science.gov (United States)

    Li, Ling; Tirado, Angelica; Nlebedim, I C; Rios, Orlando; Post, Brian; Kunc, Vlastimil; Lowden, R R; Lara-Curzio, Edgar; Fredette, Robert; Ormerod, John; Lograsso, Thomas A; Paranthaman, M Parans

    2016-10-31

    Additive manufacturing allows for the production of complex parts with minimum material waste, offering an effective technique for fabricating permanent magnets which frequently involve critical rare earth elements. In this report, we demonstrate a novel method - Big Area Additive Manufacturing (BAAM) - to fabricate isotropic near-net-shape NdFeB bonded magnets with magnetic and mechanical properties comparable or better than those of traditional injection molded magnets. The starting polymer magnet composite pellets consist of 65 vol% isotropic NdFeB powder and 35 vol% polyamide (Nylon-12). The density of the final BAAM magnet product reached 4.8 g/cm 3 , and the room temperature magnetic properties are: intrinsic coercivity H ci  = 688.4 kA/m, remanence B r  = 0.51 T, and energy product (BH) max  = 43.49 kJ/m 3 (5.47 MGOe). In addition, tensile tests performed on four dog-bone shaped specimens yielded an average ultimate tensile strength of 6.60 MPa and an average failure strain of 4.18%. Scanning electron microscopy images of the fracture surfaces indicate that the failure is primarily related to the debonding of the magnetic particles from the polymer binder. The present method significantly simplifies manufacturing of near-net-shape bonded magnets, enables efficient use of rare earth elements thus contributing towards enriching the supply of critical materials.

  18. Vibrational study and Natural Bond Orbital analysis of serotonin in monomer and dimer states by density functional theory

    Science.gov (United States)

    Borah, Mukunda Madhab; Devi, Th. Gomti

    2018-06-01

    The vibrational spectral analysis of Serotonin and its dimer were carried out using the Fourier Transform Infrared (FTIR) and Raman techniques. The equilibrium geometrical parameters, harmonic vibrational wavenumbers, Frontier orbitals, Mulliken atomic charges, Natural Bond orbitals, first order hyperpolarizability and some optimized energy parameters were computed by density functional theory with 6-31G(d,p) basis set. The detailed analysis of the vibrational spectra have been carried out by computing Potential Energy Distribution (PED, %) with the help of Vibrational Energy Distribution Analysis (VEDA) program. The second order delocalization energies E(2) confirms the occurrence of intramolecular Charge Transfer (ICT) within the molecule. The computed wavenumbers of Serotonin monomer and dimer were found in good agreement with the experimental Raman and IR values.

  19. Bond Performance and Structural Characterization of Polysaccharide Wood Adhesive Made from Konjac Glucomannan/Chitosan/Polyvinyl Alcohol

    Directory of Open Access Journals (Sweden)

    Rong Gu

    2016-08-01

    Full Text Available The bond performance and bonding mechanism were evaluated for a Konjac glucomannan (KGM, Chitosan (CS, and polyvinyl alcohol (PVOH blended wood adhesive. An optimized experimental strategy was used to investigate the effects of the formula parameters of adhesives on the bonding strength of plywood using a Box-Behnken design and response surface methodology (RSM. The microstructure of the blended adhesives was analyzed by Fourier transform infrared spectroscopy (FTIR and scanning electron microscopy (SEM. An optimum bonding strength (3.42 ± 0.31 MPa was achieved with concentrations of KGM, CS, and 10% PVOH of 2.3%, 2.3%, and 5.0%, respectively. There was strong hydrogen bonding between the KGM, CS, and 10% PVOH adhesives and the interface. SEM observations indicated that the blended adhesive exhibited a net-like structure that increased the overall bonding strength. These results provided the scientific basis for the continual development of environmentally friendly wood adhesives and the improvement of processing conditions.

  20. Environment-friendly adhesives for surface bonding of wood-based flooring using natural tannin to reduce formaldehyde and TVOC emission.

    Science.gov (United States)

    Kim, Sumin

    2009-01-01

    The objective of this research was to develop environment-friendly adhesives for face fancy veneer bonding of engineered flooring using the natural tannin form bark in the wood. The natural wattle tannin adhesive were used to replace UF resin in the formaldehyde-based resin system in order to reduce formaldehyde and volatile organic compound (VOC) emissions from the adhesives used between plywoods and fancy veneers. PVAc was added to the natural tannin adhesive to increase viscosity of tannin adhesive for surface bonding. For tannin/PVAc hybrid adhesives, 5%, 10%, 20% and 30% of PVAc to the natural tannin adhesives were added. tannin/PVAc hybrid adhesives showed better bonding than the commercial natural tannin adhesive with a higher level of wood penetration. The initial adhesion strength was sufficient to be maintained within the optimum initial tack range. The standard formaldehyde emission test (desiccator method), field and laboratory emission cell (FLEC) and VOC analyzer were used to determine the formaldehyde and VOC emissions from engineered flooring bonded with commercial the natural tannin adhesive and tannin/PVAc hybrid adhesives. By desiccator method and FLEC, the formaldehyde emission level of each adhesive showed the similar tendency. All adhesives satisfied the E(1) grade (below 1.5 mg/L) and E(0) grade (below 0.5 mg/L) with UV coating. VOC emission results by FLEC and VOC analyzer were different with the formaldehyde emission results. TVOC emission was slightly increased as adding PVAc.

  1. Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment.

    Science.gov (United States)

    Giesbertz, Klaas J H; van Leeuwen, Robert

    2014-05-14

    Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r12) depending on the interelectronic distance r12. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r12) needs to diverge for large r12 at large internuclear distances while for shorter bond distances it increases as a function of r12 to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.

  2. Grinding performance evaluation of porous composite-bonded CBN wheels for Inconel 718

    Directory of Open Access Journals (Sweden)

    Chen Zhenzhen

    2014-08-01

    Full Text Available For high-efficiency grinding of difficult-to-cut materials such as titanium and nickel alloys, a high porosity is expected and also a sufficient mechanical strength to satisfy the function. However, the porosity increase is a disadvantage to the mechanical strength. As a promising pore forming agent, alumina bubbles are firstly induced into the abrasive layer to fabricate porous cubic boron nitride (CBN wheels. When the wheel porosity reaches 45%, the bending strength is still high up to 50 MPa with modified orderly pore distribution. A porous CBN wheel was fabricated with a total porosity around 30%. The grinding performance of the porous composite-bonded CBN wheel was evaluated in terms of specific force, specific grinding energy, and grinding temperature, which were better than those of the vitrified one under the same grinding conditions. Compared to the vitrified CBN wheel, clear straight cutting grooves and less chip adhesion are observed on the ground surface and there is also no extensive loading on the wheel surface after grinding.

  3. Effects of Jigsaw Cooperative Learning and Animation Techniques on Students' Understanding of Chemical Bonding and Their Conceptions of the Particulate Nature of Matter

    Science.gov (United States)

    Karacop, Ataman; Doymus, Kemal

    2013-04-01

    The aim of this study was to determine the effect of jigsaw cooperative learning and computer animation techniques on academic achievements of first year university students attending classes in which the unit of chemical bonding is taught within the general chemistry course and these students' learning of the particulate nature of matter of this unit. The sample of this study consisted of 115 first-year science education students who attended the classes in which the unit of chemical bonding was taught in a university faculty of education during the 2009-2010 academic year. The data collection instruments used were the Test of Scientific Reasoning, the Purdue Spatial Visualization Test: Rotations, the Chemical Bonding Academic Achievement Test, and the Particulate Nature of Matter Test in Chemical Bonding (CbPNMT). The study was carried out in three different groups. One of the groups was randomly assigned to the jigsaw group, the second was assigned to the animation group (AG), and the third was assigned to the control group, in which the traditional teaching method was applied. The data obtained with the instruments were evaluated using descriptive statistics, one-way ANOVA, and MANCOVA. The results indicate that the teaching of chemical bonding via the animation and jigsaw techniques was more effective than the traditional teaching method in increasing academic achievement. In addition, according to findings from the CbPNMT, the students from the AG were more successful in terms of correct understanding of the particulate nature of matter.

  4. Cooling Performance of Natural Circulation for a Research Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Park, Suki; Chun, J. H.; Yum, S. B. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    This paper deals with the core cooling performance by natural circulation during normal operation and a flow channel blockage event in an open tank-in-pool type research reactor. The cooling performance is predicted by using the RELAP5/ MOD3.3 code. The core decay heat is usually removed by natural circulation to the reactor pool water in open tank-in-pool type research reactors with the thermal power less than several megawatts. Therefore, these reactors have generally no active core cooling system against a loss of normal forced flow. In reactors with the thermal power less than around one megawatt, the reactor core can be cooled down by natural circulation even during normal full power operation. The cooling performance of natural circulation in an open tank-in-pool type research reactor has been investigated during the normal natural circulation and a flow channel blockage event. It is found that the maximum powers without void generation at the hot channel are around 1.16 MW and 820 kW, respectively, for the normal natural circulation and the flow channel blockage event.

  5. Performance of universal adhesives on bonding to leucite-reinforced ceramic.

    Science.gov (United States)

    Kim, Ryan Jin-Young; Woo, Jung-Soo; Lee, In-Bog; Yi, Young-Ah; Hwang, Ji-Yun; Seo, Deog-Gyu

    2015-01-01

    This study aimed to investigate the microshear bond strength of universal bonding adhesives to leucite-reinforced glass-ceramic. Leucite-reinforced glass-ceramic blocks were polished and etched with 9.5% hydrofluoric acid for 1 min. The specimens were assigned to one of four groups based on their surface conditioning (n = 16): 1) NC: negative control with no further treatment; 2) SBU: Single Bond Universal (3M ESPE); 3) ABU: ALL-BOND Universal (Bisco); and 4) PC: RelyX Ceramic Primer and Adper Scotchbond Multi-Purpose Adhesive (3M ESPE) as a positive control. RelyX Ultimate resin cement (3M ESPE) was placed on the pretreated ceramic and was light cured. Eight specimens from each group were stored in water for 24 h, and the remaining eight specimens were thermocycled 10,000 times prior to microshear bond strength evaluation. The fractured surfaces were examined by stereomicroscopy and scanning electron microscopy (SEM). After water storage and thermocycling, the microshear bond strength values decreased in the order of PC > SBU and ABU > NC (P universal adhesives were used, conventional surface conditioning using a separate silane and adhesive is preferable to a simplified procedure that uses only a universal adhesive for cementation of leucite-reinforced glass-ceramic.

  6. Bonding performance of universal adhesives to er,cr:YSGG laser-irradiated enamel.

    Science.gov (United States)

    Ayar, Muhammet Kerim; Erdemir, Fatih

    2017-04-01

    Universal adhesives have been recently introduced for use as self-etch or etch-and-rinse adhesives depending on the dental substrate and clinical condition. However, their bonding effectiveness to laser-irradiated enamel is still not well-known. Thus, the aim of this study was to compare the shear bond strength (SBS) of universal adhesives (Single Bond Universal; Nova Compo-B Plus) applied to Er,Cr:YSGG laser-irradiated enamel with SBS of the same adhesives applied in self-etch and acid-etching modes, respectively. Crown segments of sixty bovine incisors were embedded into standardized acrylic blocks. Flattened enamel surfaces were prepared. Specimens were divided into six groups according to universal adhesives and application modes randomly (n = 10), as follows: Single Bond Universal/acid-etching mode; Nova Compo-B Plus/acid-etching mode; Single Bond Universal/self-etching mode; Nova Compo-B Plus/self-etching mode; and Single Bond Universal/Er,Cr:YSGG Laser-etching mode; Nova Compo-B Plus/Er,Cr:YSGG Laser-etching mode. After surface treatments, universal adhesives were applied onto surfaces. SBS was determined after storage in water for 24 h using a universal testing machine with a crosshead speed of 0.5 mm min -1 . Failure modes were evaluated using a stereomicroscope. Data was analyzed using two-way of analyses of variances (ANOVA) (p = 0.05). Two-way ANOVA revealed that adhesive had no effect on SBS (p = 0.88), but application mode significantly influenced SBS (p = 0.00). Acid-etching significantly increased SBS, whereas there are no significant differences between self-etch mode and laser-etching for both adhesives. The bond strength of universal adhesives may depend on application mode. Acid etching may significantly increase bond strength, while laser etching may provide similar bond strength when compared to self-etch mode. © 2016 Wiley Periodicals, Inc.

  7. Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose I beta

    Science.gov (United States)

    In the crystal structure of cellulose Ibeta, disordered hydrogen (H) bonding can be represented by the average of two mutually exclusive H bonding schemes that have been designated A and B. An unanswered question is whether A and B interconvert dynamically, or whether they are static but present in ...

  8. Environmental performance of a naturally ventilated city centre library

    Energy Technology Data Exchange (ETDEWEB)

    Krausse, Birgit; Cook, Malcolm; Lomas, Kevin [Institute of Energy and Sustainable Development, De Montfort University, Queens Building, The Gateway, Leicester LE1 9BH, (United Kingdom)

    2007-07-15

    To tackle climate change it is essential to reduce carbon dioxide emissions. To this end, it is important to reduce the energy demands of non-domestic buildings. Naturally ventilated buildings can have low energy demands but the strategy is difficult to implement in deep plan, urban locations. The Frederick Lanchester Library at Coventry University, UK, incorporates natural ventilation, daylighting and passive cooling strategies. By using lightwells and perimeter stacks to supply and exhaust air, it can be ventilated by natural means despite its deep plan form and sealed facade. This paper describes the building and presents the energy consumption and the internal temperatures and CO{sub 2} levels recorded in 2004/2005. The building's performance is compared to the original design criteria and good practice guidelines. Recommendations for the design of such buildings are made and the likely performance in other UK cities is assessed. It is concluded that the building uses under half the energy of a standard air-conditioned building and yet, in summer, can keep the interior comfortable and up to 5 deg C below ambient. The design would perform equally well in the typical weather conditions experienced at 13 other UK cities, but not in London. It is concluded that deep-plan, naturally ventilated buildings with sealed facades, if well designed, could maintain thermal comfort in all but a very few UK locations, whilst consuming much less energy than even good practice standards. (Author)

  9. Effect of tetracycline on the bond performance of etch-and-rinse adhesives to dentin

    Directory of Open Access Journals (Sweden)

    Rodrigo Stanislawczuk

    2011-10-01

    Full Text Available This study evaluated the effect of modified tetracycline on the resin-dentin bond strength (µTBS, silver nitrate uptake (SNU and solution homogeneity (SH of two adhesives. Dentin surfaces were treated with phosphoric acid, rinsed off and either rewetted with water (control group - CO, 2% minocycline (MI, 2% doxycyline (DO or 2% chlorhexidine (CH. Adhesive systems (Adper Single Bond 2 and Prime Bond NT and composite were applied and light-polymerized. Specimens were sectioned to obtain bonded sticks (0.8 mm² to test under tension at 0.5 mm/min. For SNU, specimens were immersed in silver nitrate and analyzed by EDX-SEM. SH was qualitatively analyzed after mixing the adhesives with different solvent-based solutions containing MI, DO and CH. Lower µTBS values were observed in the DO group compared with MI and CH (p = 0.01. Lower SNU was observed for MI and CH. The lowest µTBS for both adhesives was observed for the DO group (p = 0.01. Signs of phase separation were observed for DO with both adhesives. MI or CH used as rewetting solutions after acid etching did not affect the µTBS and hybrid layer quality.

  10. Performance of thin bonded epoxy overlays on asphalt and concrete bridge deck surfaces.

    Science.gov (United States)

    2014-06-01

    This study is the evaluation of two thin bonded epoxy overlays: SafeLane (marketed by Cargill), and Flexogrid : (developed by PolyCarb). SafeLane is advertised as an anti-skid/anti-icing overlay that stores deicing chemicals for : release during wint...

  11. Two-course bonded concrete bridge deck construction : condition and performance after six years.

    Science.gov (United States)

    1981-01-01

    This report presents the findings from a six-year study of two-course bonded concrete bridge decks constructed in Virginia. Each of three special portland cement concretes was applied as an overlay, or wearing course, on two experimental spans. The o...

  12. Performance of composite boards from long strand oil palm trunk bonded by isocyanate and urea formaldehyde adhesives

    Science.gov (United States)

    Hermanto, Indra; Massijaya, M. Y.

    2018-03-01

    In this research, the obtained long strand were produced from the outer part of oil palm trunk and then hot-prepressed. The three-ply composite boards were made from hot-prepressed long strand and use bonded by isocyanate and urea formaldehyde adhesives with a glue spread variation of 150 g/m2, 225 g/m2, and 300 g/m2. The board target density was 0.65 g/cm3, face and back layers orientation is the same and the core layer was perpendicular to the face and back layers. The research results showed that : (1) composite boards bonded by isocyanate performed better physical and mechanical properties compared to those of bonded by urea formaldehyde, (2) utilization of higher glue spread level would improve the physical and mechanical properties of the composite board. (3) composite boards bonded by isocyanate and urea formaldehyde adhesives at glue spread of 225 g/m2, 300 g/m2, respectively were enough to fulfill the JIS A 5908 (2003) standard.

  13. The nature of hydrogen-bonding interactions in nonsteroidal anti-inflammatory drugs revealed by polarized IR spectroscopy

    Science.gov (United States)

    Hachuła, Barbara

    2018-01-01

    The influence of hydrogen-bonding interactions in the solid phase on the IR spectroscopic pattern of the νOsbnd H band of nonsteroidal anti-inflammatory drugs (NSAIDs) was studied experimentally by IR spectroscopy with the use of polarized light at two temperatures (293 K and 77 K) and in isotopic dilution. The neat and deuterated crystals of (S)-naproxen ((S)-NPX), (R)-flurbiprofen ((R)-FBP), (RS)-flurbiprofen ((RS)-FBP) and (RS)-ketoprofen ((RS)-KTP) were obtained by melt crystallization between the two squeezed CaF2 plates. The vibrational spectra of selected α-aryl propionic acid derivatives (2APAs) reflected the characteristics of their hydrogen-bond networks, i.e., 2APAs were characterized by the chain ((S)-NPX, (R)-FBP) and by dimeric ((RS)-FBP, (RS)-KTP) arrangement of hydrogen bonds in the crystal lattice. Spectroscopic results showed that the interchain (through-space) exciton coupling, between two laterally-spaced hydrogen bonds, dominates in the crystals of four NSAIDs. The same exciton coupled hydrogen bonds were also responsible for the H/D isotopic recognition mechanism in the crystalline spectra of deuterated 2APAs. The presented spectral results may help to predict the hydrogen bond motifs in the crystalline NSAIDs, which structures are not yet known, based on their IR spectra of hydrogen bond in the crystals.

  14. Performance and Reliability of Bonded Interfaces for High-Temperature Packaging. Annual Report

    Energy Technology Data Exchange (ETDEWEB)

    DeVoto, Douglas [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-04-01

    Current generation automotive power electronics packages utilize silicon devices and lead-free solder alloys. To meet stringent technical targets for 2020 and beyond (for cost, power density, specific power, efficiency and reliability), wide-bandgap devices are being considered since they offer advantages such as operation at higher frequencies, voltages, and temperatures. Traditional power electronics packages must be redesigned to utilize the full potential of wide-bandgap devices, and the die- and substrate-attach layers are key areas where new material development and validation is required. Present solder alloys do not meet the performance requirements for these new package designs while also meeting cost and hazardous substance restrictions. Sintered silver (Ag) promises to meet the needs for die- and substrate-attach interfaces but synthesis optimization and reliability evaluation must be completed. Sintered Ag material was proposed as an alternative solution in power electronics packages almost 20 years back. However, synthesis pressure requirements up 40 MPa caused a higher complexity in the production process and more stringent flatness specifications for the substrates. Recently, several manufacturers have developed sintered Ag materials that require lower (3-5 MPa) or even no bonding pressures. Degradation mechanisms for these sintered Ag materials are not well known and need to be addressed. We are addressing these aspects to some extent in this project. We are developing generalized (i.e., independent of geometry) stress intensity factor versus cycles-to-failure relations for sintered Ag. Because sintered Ag is a relatively new material for automotive power electronics, the industry currently does not have a good understanding of recommended synthesis parameters or expected reliability under prescribed conditions. It is an important deliverable of this project to transfer findings to industry to eliminate barriers to using sintered Ag as a viable and

  15. A study of Acoustics Performance on Natural Fibre Composite

    Science.gov (United States)

    Nizam Yahya, Musli; Sambu, Mathan; Latif, Hanif Abdul; Junaid, Thuwaibah Mohd

    2017-08-01

    Natural fibres are fibre that can be directly obtained from an animal, mineral, or vegetable sources. Recently natural materials are becoming good alternatives for synthetic material as they provide good health to greener environment. The purpose of this study is to investigate and compare the acoustic characteristics of natural fibres; Kenaf fibre, Ijuk fibre, coconut coir and palm Oil frond. During the processing stage, each fibre is reinforced with 60:40 weight ratio of natural rubber (NR) separately. The fibres are then compressed after the natural rubber (NR) treatment into circular samples, of 28 mm and 100 mm diameters respectively. The thickness of each sample is fixed at 50mm. The acoustical performances were evaluated by using an impedance tube instrument. The frequency peak value of Kenaf is obtained in a range of 700 Hz - 800 Hz, while for coconut coir is at 1000 Hz - 1075 Hz frequency range. Palm oil frond gives high frequency at 850 Hz - 1200 Hz. However, Only Ijuk has obtained the highest frequency range of 3200 Hz - 3400 Hz. The results demonstrate that these fibres are a promising light and environment-friendly sound absorption material as they are ready to replace the common synthetic fibre.

  16. The natural gas performance in the professional restoration; La performance du gaz naturel en restauration professionnelle

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-07-01

    The utilization of the natural gas in the professional cooking presents many advantages detailed in this paper. Examples of this technology performance and reliability, the implementing and operating cost and competition are discussed. (A.L.B.)

  17. The design of an optical sensor arrangement for the detection of oil contamination in an adhesively bonded structure of a liquefied natural gas (LNG) ship

    International Nuclear Information System (INIS)

    Kim, Bu Gi; Lee, Dai Gil

    2009-01-01

    Liquefied natural gas (LNG) has been widely used as a substitute fuel for commercial purposes. It is transported mainly by LNG ships which have primary and secondary leakage barriers. The former is composed of welded thin stainless steel or invar plates, while the latter is composed of adhesively bonded glass composite or aluminum foil sheets. The role of the secondary barrier is to maintain fluid tightness when the primary barrier fails during the transport of LNG. The tightness of the secondary barrier is dependent on the wetting characteristics between the adhesive and adherend of the bonded structure during bonding operation, which depends much on the contamination on the adherend surface. Therefore, in this work, an optical measuring device of oil contamination on the aluminum surface for the secondary barrier was developed. A transparent oil was used as the contaminant and its effect on the bonding strength was investigated. From the experiments, it has been found that the developed measuring device for oil contamination can be used to detect oil contamination on a large bonding area of the secondary barrier in ship building yards

  18. Design and performance of sodium-bonded uranium--plutonium carbide fuel elements

    International Nuclear Information System (INIS)

    Kerrisk, J.F.; DeMuth, N.S.; Petty, R.L.; Latimer, T.W.; Vitti, J.A.; Jones, L.J.

    1979-01-01

    Recent results from irradiation tests indicate that sodium-bonded elements provide a practical advanced fuel element design for use in LMFBRs. Shroud tubes have effectively controlled fuel-cladding mechanical interaction; thicker and stronger claddings have also been effective in this respect. Burnups to 11 at.% have been achieved under typical operating conditions. A hetrogeneous core with a breeding ratio of 1.55 and a compound system doubling time of less than 13 years has been designed using these element designs

  19. A metallization and bonding approach for high performance carbon nanotube thermal interface materials

    International Nuclear Information System (INIS)

    Cross, Robert; Graham, Samuel; Cola, Baratunde A; Fisher, Timothy; Xu Xianfan; Gall, Ken

    2010-01-01

    A method has been developed to create vertically aligned carbon nanotube (VACNT) thermal interface materials that can be attached to a variety of metallized surfaces. VACNT films were grown on Si substrates using standard CVD processing followed by metallization using Ti/Au. The coated CNTs were then bonded to metallized substrates at 220 deg. C. By reducing the adhesion of the VACNTs to the growth substrate during synthesis, the CNTs can be completely transferred from the Si growth substrate and used as a die attachment material for electronic components. Thermal resistance measurements using a photoacoustic technique showed thermal resistances as low as 1.7 mm 2 K W -1 for bonded VACNT films 25-30 μm in length and 10 mm 2 K W -1 for CNTs up to 130 μm in length. Tensile testing demonstrated a die attachment strength of 40 N cm -2 at room temperature. Overall, these metallized and bonded VACNT films demonstrate properties which are promising for next-generation thermal interface material applications.

  20. Irradiation performance of helium-bonded uranium--plutonium carbide fuel elements

    International Nuclear Information System (INIS)

    Latimer, T.W.; Petty, R.L.; Kerrisk, J.F.; DeMuth, N.S.; Levine, P.J.; Boltax, A.

    1979-01-01

    The current irradiation program of helium-bonded uranium--plutonium carbide elements is achieving its original goals. By August 1978, 15 of the original 171 helium-bonded elements had reached their goal burnups including one that had reached the highest burnup of any uranium--plutonium carbide element in the U.S.--12.4 at.%. A total of 66 elements had attained burnups over 8 at.%. Only one cladding breach had been identified at that time. In addition, the systematic and coordinated approach to the current steady-state irradiation tests is yielding much needed information on the behavior of helium-bonded carbide fuel elements that was not available from the screening tests (1965 to 1974). The use of hyperstoichiometric (U,Pu)C containing approx. 10 vol% (U,Pu) 2 C 3 appears to combine lower swelling with only a slightly greater tendency to carburize the cladding than single-phase (U,Pu)C. The selected designs are providing data on the relationship between the experimental parameters of fuel density, fuel-cladding gap size, and cladding type and various fuel-cladding mechanical interaction mechanisms

  1. Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method

    Science.gov (United States)

    Porchelvi, E. Elamurugu; Muthu, S.

    2015-01-01

    The thiosemicarbazone compound, Salicylaldehyde p-methylphenylthiosemicarbazone (abbreviated as SMPTSC) was synthesized and characterized by FTIR, FT-Raman and UV. Density functional (DFT) calculations have been carried out for the title compound by performing DFT level of theory using B3LYP/6-31++G(d,p) basis set. The molecular geometry and vibrational frequencies were calculated and compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. Thearomaticities of the phenyl rings were studied using the standard harmonic oscillator model of aromaticity (HOMA) index. Mulliken population analysis on atomic charges is also calculated. The molecule orbital contributions are studied by density of energy states (DOSs).

  2. Multi-mode application of graphene quantum dots bonded silica stationary phase for high performance liquid chromatography.

    Science.gov (United States)

    Wu, Qi; Sun, Yaming; Zhang, Xiaoli; Zhang, Xia; Dong, Shuqing; Qiu, Hongdeng; Wang, Litao; Zhao, Liang

    2017-04-07

    Graphene quantum dots (GQDs), which possess hydrophobic, hydrophilic, π-π stacking and hydrogen bonding properties, have great prospect in HPLC. In this study, a novel GQDs bonded silica stationary phase was prepared and applied in multiple separation modes including normal phase, reversed phase and hydrophilic chromatography mode. Alkaloids, nucleosides and nucleobases were chosen as test compounds to evaluate the separation performance of this column in hydrophilic chromatographic mode. The tested polar compounds achieved baseline separation and the resolutions reached 2.32, 4.62, 7.79, 1.68 for thymidine, uridine, adenosine, cytidine and guanosine. This new column showed satisfactory chromatographic performance for anilines, phenols and polycyclic aromatic hydrocarbons in normal and reversed phase mode. Five anilines were completely separated within 10min under the condition of mobile phase containing only 10% methanol. The effect of water content, buffer concentration and pH on chromatographic separation was further investigated, founding that this new stationary phase showed a complex retention mechanism of partitioning, adsorption and electrostatic interaction in hydrophilic chromatography mode, and the multiple retention interactions such as π-π stacking and π-π electron-donor-acceptor interaction played an important role during the separation process. This GQDs bonded column, which allows us to adjust appropriate chromatography mode according to the properties of analytes, has possibility in actual application after further research. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Microwave bonding of MWNTs and fabrication of a low-cost, high-performance polymer pressure sensor

    International Nuclear Information System (INIS)

    Gau, C; Chen, H T; Ko, H S

    2010-01-01

    This paper describes the fabrication of a simple, low-cost pressure sensor that can be readily mass produced. Microwave-induced heating is used to bond a multiwall carbon nanotube (MWNT) network to a poly(ethylene terephthalate) substrate that serves as a pressure diaphragm. The MWNT network can be patterned with a damascene process and used as the sensor material. The pressure diaphragm with the MWNT network can be bonded with any flexible substrate pre-drilled with a cavity that allows a deflection of the diaphragm. Design and fabrication considerations for the sensor are discussed and its performance is demonstrated and evaluated. The sensor is thermally stable and has a much higher sensitivity and gauge factor than polysilicon sensors. In addition to the simple fabrication process, the sensor can be widely applied and integrated into microfluidic systems or biochips where pressure information is required.

  4. THE PENA BLANCA NATURAL ANALOGUE PERFORMANCE ASSESSMENT MODEL

    Energy Technology Data Exchange (ETDEWEB)

    G. Saulnier and W. Statham

    2006-04-16

    The Nopal I uranium mine in the Sierra Pena Blanca, Chihuahua, Mexico serves as a natural analogue to the Yucca Mountain repository. The Pena Blanca Natural Analogue Performance Assessment Model simulates the mobilization and transport of radionuclides that are released from the mine and transported to the saturated zone. The Pena Blanca Natural Analogue Performance Assessment Model uses probabilistic simulations of hydrogeologic processes that are analogous to the processes that occur at the Yucca Mountain site. The Nopal I uranium deposit lies in fractured, welded, and altered rhyolitic ash-flow tuffs that overlie carbonate rocks, a setting analogous to the geologic formations at the Yucca Mountain site. The Nopal I mine site has the following analogous characteristics as compared to the Yucca Mountain repository site: (1) Analogous source--UO{sub 2} uranium ore deposit = spent nuclear fuel in the repository; (2) Analogous geology--(i.e. fractured, welded, and altered rhyolitic ash-flow tuffs); (3) Analogous climate--Semiarid to arid; (4) Analogous setting--Volcanic tuffs overlie carbonate rocks; and (5) Analogous geochemistry--Oxidizing conditions Analogous hydrogeology: The ore deposit lies in the unsaturated zone above the water table.

  5. THE PENA BLANCA NATURAL ANALOGUE PERFORMANCE ASSESSMENT MODEL

    International Nuclear Information System (INIS)

    G. Saulnier; W. Statham

    2006-01-01

    The Nopal I uranium mine in the Sierra Pena Blanca, Chihuahua, Mexico serves as a natural analogue to the Yucca Mountain repository. The Pena Blanca Natural Analogue Performance Assessment Model simulates the mobilization and transport of radionuclides that are released from the mine and transported to the saturated zone. The Pena Blanca Natural Analogue Performance Assessment Model uses probabilistic simulations of hydrogeologic processes that are analogous to the processes that occur at the Yucca Mountain site. The Nopal I uranium deposit lies in fractured, welded, and altered rhyolitic ash-flow tuffs that overlie carbonate rocks, a setting analogous to the geologic formations at the Yucca Mountain site. The Nopal I mine site has the following analogous characteristics as compared to the Yucca Mountain repository site: (1) Analogous source--UO 2 uranium ore deposit = spent nuclear fuel in the repository; (2) Analogous geology--(i.e. fractured, welded, and altered rhyolitic ash-flow tuffs); (3) Analogous climate--Semiarid to arid; (4) Analogous setting--Volcanic tuffs overlie carbonate rocks; and (5) Analogous geochemistry--Oxidizing conditions Analogous hydrogeology: The ore deposit lies in the unsaturated zone above the water table

  6. The role of natural analogues in performance assessment

    International Nuclear Information System (INIS)

    Ewing, R.C.

    1992-01-01

    One of the unique and scientifically most challenging aspects of nuclear waste isolation is the extrapolation of short-term laboratory data (hours to years) to the long time periods (10 3 - 10 5 years) required by regulatory agencies for performance assessment. The direct verification of these extrapolations is not possible, but methods must be developed to demonstrate compliance with government regulations and to satisfy the lay public that there is a demonstrable and reasonable basis for accepting the long-term extrapolations. Natural systems provide perhaps the only means of partial verification, as well as data that may be used directly in the models that are used in the extrapolation. Natural systems provide data on very large spatial (m to km) and temporal (10 3 - 10 8 years) scales, and in highly complex terranes in which unknown synergisms may effect radionuclide migration. This paper reviews the application (and most importantly, the limitations) of data from natural analogue systems to the verification of performance assessments

  7. Molecular docking, TG/DTA, molecular structure, harmonic vibrational frequencies, natural bond orbital and TD-DFT analysis of diphenyl carbonate by DFT approach

    Science.gov (United States)

    Xavier, S.; Periandy, S.; Carthigayan, K.; Sebastian, S.

    2016-12-01

    Vibrational spectral analysis of Diphenyl Carbonate (DPC) is carried out by using FT-IR and FT-Raman spectroscopic techniques. It is found that all vibrational modes are in the expected region. Gaussian computational calculations were performed using B3LYP method with 6-311++G (d, p) basis set. The computed geometric parameters are in good agreement with XRD data. The observation shows that the structure of the carbonate group is unsymmetrical by ∼5° due to the attachment of the two phenyl rings. The stability of the molecule arising from hyperconjugative interaction and charge delocalization are analyzed by Natural Bond Orbital (NBO) study and the results show the lone pair transition has higher stabilization energy compared to all other. The 1H and 13C NMR chemical shifts are calculated using the Gauge-Including Atomic Orbital (GIAO) method with B3LYP/6-311++G (d, p) method. The chemical shifts computed theoretically go very closer to the experimental results. A study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies and Molecular electrostatic potential (MEP) exhibit the high reactivity nature of the molecule. The non-linear optical property of the DPC molecule predicted theoretically found to be good candidate for NLO material. TG/DTA analysis was made and decomposition of the molecule with respect to the temperature was studied. DPC having the anthelmintic activity is docked in the Hemoglobin of Fasciola hepatica protein. The DPC has been screened to antimicrobial activity and found to exhibit antibacterial effects.

  8. High performance natural rubber composites with a hierarchical reinforcement structure of carbon nanotube modified natural fibers

    International Nuclear Information System (INIS)

    Tzounis, Lazaros; Debnath, Subhas; Rooj, Sandip; Fischer, Dieter; Mäder, Edith; Das, Amit; Stamm, Manfred; Heinrich, Gert

    2014-01-01

    A simple and facile method for depositing multiwall carbon nanotubes (MWCNTs) onto the surface of naturally occurring short jute fibers (JFs) is reported. Hierarchical multi-scale structures were formed with CNT-networks uniformly distributed and fully covering the JFs (JF–CNT), as depicted by the scanning electron microscopy (SEM) micrographs. The impact of these hybrid fillers on the mechanical properties of a natural rubber (NR) matrix was systematically investigated. Pristine JFs were cut initially to an average length of 2.0 mm and exposed to an alkali treatment (a-JFs) to remove impurities existing in the raw jute. MWCNTs were treated under mild acidic conditions to generate carboxylic acid moieties. Afterward, MWCNTs were dispersed in an aqueous media and short a-JFs were allowed to react with them. Raman spectroscopy confirmed the chemical interaction between CNTs and JFs. The JF–CNT exposed quite hydrophobic behavior as revealed by the water contact angle measurements, improving the wettability of the non-polar NR. Consequently, the composite interfacial adhesion strength was significantly enhanced while a micro-scale “mechanical interlocking” mechanism was observed from the interphase-section transmission electron microscopy (TEM) images. SEM analysis of the composite fracture surfaces demonstrated the interfacial strength of NR/a-JF and NR/JF–CNT composites, at different fiber loadings. It can be presumed that the CNT-coating effectively compatibillized the composite structure acting as a macromolecular coupling agent. A detailed analysis of stress-strain and dynamic mechanical spectra confirmed the high mechanical performance of the hierarchical composites, consisting mainly of materials arising from natural resources. - Highlights: • Natural rubber (NR) composites reinforced with CNT-modified short jute fibers. • MWCNTs deposited to the surface of jute fibers via non-covalent interactions. • Hierarchical reinforcement structure with

  9. ESBWR - Robust design for natural circulation and stability performance effectiveness

    Energy Technology Data Exchange (ETDEWEB)

    Alamgir, M. D.; Marquino, W.; Yang, J.; Saha, P.; Fennern, L.; Colby, M. [GE-Hitachi Nuclear Energy, M/C A65, 3901Castle Hayne Road, Wilmington, NC 28401 (United States)

    2012-07-01

    ESBWR is a 4500 MWt Generation III+ natural circulation reactor with an array of robust design features and passive safety systems to deliver highly effective plant performance during normal operation and to keep the reactor safe during postulated transients and accidents. With the submittal of the latest revision of the Design Control Document (DCD) to US Nuclear Regulatory Commission, ESBWR is nearing the completion of the US design certification process. This paper focuses on the natural circulation-driven plant performance aspects during normal operation, and stability evaluation of the robust ESBWR design. The TRACG computer code is used for the analysis of ESBWR plant performance, safety analysis, and stability margins. The paper describes the evaluation of ESBWR stability performance during normal power operation including operation in the Core Power-Feed Water Temperature Operating Domain. For ESBWR the normal power operation condition has the highest power/flow ratio and is limiting from the perspective of stability. The paper includes results from detailed evaluation of the most limiting decay ratio for out-of-phase regional oscillations calculated by perturbing the core inlet flow rate in this out-of-phase mode about the line of symmetry for the azimuthal harmonic mode. The paper also summarizes the ESBWR regional mode stability evaluations during a limiting transient (Loss of Feedwater Heating), and during ATWS (Anticipated Transient without Scram). Nominal decay ratios of limiting Channel oscillation, Core wide oscillation and Regional oscillation are within the maximum acceptance criterion of 0.8, at 95% content and 95% confidence. These stability evaluation results indicate decay ratio is within design limits. The paper also describes the evaluation of ESBWR stability performance during plant startup, and summarizes the defense-in-depth stability solution for ESBWR. (authors)

  10. ESBWR - Robust design for natural circulation and stability performance effectiveness

    International Nuclear Information System (INIS)

    Alamgir, M. D.; Marquino, W.; Yang, J.; Saha, P.; Fennern, L.; Colby, M.

    2012-01-01

    ESBWR is a 4500 MWt Generation III+ natural circulation reactor with an array of robust design features and passive safety systems to deliver highly effective plant performance during normal operation and to keep the reactor safe during postulated transients and accidents. With the submittal of the latest revision of the Design Control Document (DCD) to US Nuclear Regulatory Commission, ESBWR is nearing the completion of the US design certification process. This paper focuses on the natural circulation-driven plant performance aspects during normal operation, and stability evaluation of the robust ESBWR design. The TRACG computer code is used for the analysis of ESBWR plant performance, safety analysis, and stability margins. The paper describes the evaluation of ESBWR stability performance during normal power operation including operation in the Core Power-Feed Water Temperature Operating Domain. For ESBWR the normal power operation condition has the highest power/flow ratio and is limiting from the perspective of stability. The paper includes results from detailed evaluation of the most limiting decay ratio for out-of-phase regional oscillations calculated by perturbing the core inlet flow rate in this out-of-phase mode about the line of symmetry for the azimuthal harmonic mode. The paper also summarizes the ESBWR regional mode stability evaluations during a limiting transient (Loss of Feedwater Heating), and during ATWS (Anticipated Transient without Scram). Nominal decay ratios of limiting Channel oscillation, Core wide oscillation and Regional oscillation are within the maximum acceptance criterion of 0.8, at 95% content and 95% confidence. These stability evaluation results indicate decay ratio is within design limits. The paper also describes the evaluation of ESBWR stability performance during plant startup, and summarizes the defense-in-depth stability solution for ESBWR. (authors)

  11. Performance of vacuum plasma spray and HVOF bond coatings at 900° and 1100 °C

    Energy Technology Data Exchange (ETDEWEB)

    Lance, Michael J. [ORNL; Haynes, James A. [ORNL; Pint, Bruce A. [ORNL

    2017-12-01

    The effects of Ti and B additions to a vacuum plasma sprayed (VPS) NiCoCrAlYHfSi bond coating on thermal barrier coating (TBC) performance were studied at 1100 °C and 900 °C and compared to high-velocity oxy-fuel (HVOF) bond coatings. Using alloy 247 substrates and air plasma sprayed Y2O3-stabilized ZrO2 top coatings, additions of B or Ti + B did not improve the average TBC lifetime in 1-h cycles at 1100 °C in air with 10% H2O. The addition of Ti resulted in a decrease in lifetime. Photo-stimulated luminescence spectroscopy was used to map residual stresses in the thermally-grown Al2O3 scale. At 900 °C, closer to a typical land based turbine operating bond coating temperature, specimens were examined after ten 500-h cycles in laboratory air and air with 10%H2O to study the effect of H2O. The addition of water vapor had little effect on the measured parabolic rate constants at 900 °C and a comparison of the oxide microstructures in both environments is reported.

  12. Bonding performance of self-adhesive flowable composites to enamel, dentin and a nano-hybrid composite.

    Science.gov (United States)

    Peterson, Jana; Rizk, Marta; Hoch, Monika; Wiegand, Annette

    2018-04-01

    This study aimed to analyze bond strengths of self-adhesive flowable composites on enamel, dentin and nano-hybrid composite. Enamel, dentin and nano-hybrid composite (Venus Diamond, Heraeus Kulzer, Germany) specimens were prepared. Three self-adhesive composites (Constic, DMG, Germany; Fusio Liquid Dentin, Pentron Clinical, USA; Vertise Flow, Kerr Dental, Italy) or a conventional flowable composite (Venus Diamond Flow, Heraeus Kulzer, Germany, etch&rinse technique) were applied to enamel and dentin. Nano-hybrid composite specimens were initially aged by thermal cycling (5000 cycles, 5-55 °C). Surfaces were left untreated or pretreated by mechanical roughening, Al 2 O 3 air abrasion or silica coating/silanization. In half of the composite specimens, an adhesive (Optibond FL, Kerr Dental, Italy) was used prior to the application of the flowable composites. Following thermal cycling (5000 cycles, 5-55 °C) of all specimens, shear bond strengths (SBS) and failure modes were analyzed (each subgroup n = 16). Statistical analysis was performed by ANOVAs/Bonferroni post hoc tests, Weibull statistics and χ 2 -tests (p composites on enamel and dentin were significantly lower (enamel: composite (enamel: 13.0 ± 5.1, dentin: 11.2 ± 6.3), and merely adhesive failures could be observed. On the nano-hybrid composite, SBS were significantly related to the pretreatment. Adhesive application improved SBS of the conventional, but not of the self-adhesive composites. The self-adhesive composite groups showed less cohesive failures than the reference group; the occurence of cohesive failures increased after surface pretreatment. Bonding of self-adhesive flowable composites to enamel and dentin is lower than bonding to a nano-hybrid composite.

  13. Influence of hydrogen bond accepting ability of anions on the adsorption performance of ionic liquid surface molecularly imprinted polymers.

    Science.gov (United States)

    Zhu, Guifen; Gao, Xia; Wang, Xiaolong; Wang, Jianji; Fan, Jing

    2018-01-12

    To illuminate the influence mechanism of anionic structure of ionic liquids (ILs) on the adsorption performance of surface molecularly imprinted polymers (MIPs), in this work, six newly designed MIPs were prepared on the surface of amino-poly(styrene-divinylbenzene) particles by using imidazolium ILs with the same cation [C 4 mim] + but different anions (Cl, CH 3 SO 3 , PF 6 , BF 4 , C 4 F 7 O 2 , C 4 F 9 SO 3 ) as template molecules, methacrylic acid as functional monomer, and ethylene dimethacrylate as cross-linker. The resulting MIP materials were characterized by IR and SEM, and the influence of hydrogen bond accepting ability of anions on the adsorption performance of the MIPs for the ILs was investigated in acetonitrile. It was found that adsorption capacity of the MIPs towards the ILs decreased in the order MIP [C4mim][Cl]  > MIP [C4mim][C4F7O2]  ≥ MIP [C4mim][BF4] and MIP [C4mim][CH3SO3]  > MIP [C4mim][C4F9SO3]  > MIP [C4mim][PF6] , which is in good agreement with the ability of anions of the ILs to form hydrogen bonds. Ultraviolet, 1 H-NMR and 35 Cl-NMR spectroscopy was then used to study the interactions of anions of the ILs with the functional monomer. It was found that the hydrogen bond interaction between anions of the ILs and acidic proton of the functional monomer was the main driving force for the high adsorption selectivity of the imprinted polymers, and the stronger hydrogen bond interaction indicates higher binding capacity and higher selectivity of the polymers towards the ILs. It was also verified that the ILs with stronger hydrogen bond accepting ability of anions could be selectively extracted by the corresponding IL-MIPs. These results may provide new insight into the recognition mechanism of MIPs for ILs, and are also useful for the rational design of this new class of imprinting materials. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Influence of Using Clinical Microscope as Auxiliary to Perform Mechanical Cleaning of Post Space: A Bond Strength Analysis.

    Science.gov (United States)

    Ferreira, Ricardo; Prado, Maíra; de Jesus Soares, Adriana; Zaia, Alexandre Augusto; de Souza-Filho, Francisco José

    2015-08-01

    The aim of the present study was to evaluate the influence of using a clinical microscope while performing mechanical cleaning of post space walls on the bond strength of a fiberglass post to dentin. Forty-five bovine roots were used. After preparation, roots were filled using gutta-percha and Pulp Canal Sealer (SybronEndo, Orange, CA). Subsequently, for post space preparation, the roots were divided into 3 groups: control (only heat condenser + specific bur of the post system); cleaning without a microscope, mechanical cleaning (after the procedure described in the control group, round burs were used to improve cleaning); and cleaning with a microscope, mechanical cleaning performed with round burs visualized under a clinical microscope. Then, fiberglass posts were cemented. The roots were prepared and evaluated by the push-out test. Data were analyzed using Kruskal-Wallis and Student-Newman-Keuls tests (P microscope (cervical 1.66 ± 2.3, middle 0.65 ± 1.1, apical 0.79 ± 1.2, and total1.04 ± 1.7), and cleaning with a microscope (cervical 3.26 ± 2.8, middle 1.97 ± 3.5, apical 1.85 ± 4.1, and total 2.37 ± 3.5). In the cleaning with a microscope group, the bond strength values were significantly higher than those in the other groups. In all groups, the main failure pattern was adhesive between cement and dentin. The use of a clinical microscope while performing mechanical cleaning during post space preparation improved the bond strength of a fiberglass post to dentin. Copyright © 2015 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  15. Intelligent Performance Analysis with a Natural Language Interface

    Science.gov (United States)

    Juuso, Esko K.

    2017-09-01

    Performance improvement is taken as the primary goal in the asset management. Advanced data analysis is needed to efficiently integrate condition monitoring data into the operation and maintenance. Intelligent stress and condition indices have been developed for control and condition monitoring by combining generalized norms with efficient nonlinear scaling. These nonlinear scaling methodologies can also be used to handle performance measures used for management since management oriented indicators can be presented in the same scale as intelligent condition and stress indices. Performance indicators are responses of the process, machine or system to the stress contributions analyzed from process and condition monitoring data. Scaled values are directly used in intelligent temporal analysis to calculate fluctuations and trends. All these methodologies can be used in prognostics and fatigue prediction. The meanings of the variables are beneficial in extracting expert knowledge and representing information in natural language. The idea of dividing the problems into the variable specific meanings and the directions of interactions provides various improvements for performance monitoring and decision making. The integrated temporal analysis and uncertainty processing facilitates the efficient use of domain expertise. Measurements can be monitored with generalized statistical process control (GSPC) based on the same scaling functions.

  16. Covalently Bonded Graphene-Carbon Nanotube Hybrid for High-Performance Thermal Interfaces

    DEFF Research Database (Denmark)

    Chen, Jie; Walther, Jens H.; Koumoutsakos, Petros

    2015-01-01

    The remarkable thermal properties of graphene and carbon nanotubes (CNTs) have been the subject of intensive investigations for the thermal management of integrated circuits. However, the small contact area of CNTs and the large anisotropic heat conduction of graphene have hindered...... their applications as effective thermal interface materials (TIMs). Here, a covalently bonded graphene–CNT (G-CNT) hybrid is presented that multiplies the axial heat transfer capability of individual CNTs through their parallel arrangement, while at the same time it provides a large contact area for efficient heat...... extraction. Through computer simulations, it is demonstrated that the G-CNT outperforms few-layer graphene by more than 2 orders of magnitude for the c-axis heat transfer, while its thermal resistance is 3 orders of magnitude lower than the state-of-the-art TIMs. We show that heat can be removed from the G...

  17. THE PENA BLANCA NATURAL ANALOGUE PERFORMANCE ASSESSMENT MODEL

    Energy Technology Data Exchange (ETDEWEB)

    G.J. Saulnier Jr; W. Statham

    2006-03-10

    The Nopal I uranium mine in the Sierra Pena Blanca, Chihuahua, Mexico serves as a natural analogue to the Yucca Mountain repository. The Pena Blanca Natural Analogue Performance Assessment Model simulates the mobilization and transport of radionuclides that are released from the mine and transported to the saturated zone. the Pena Blanca Natural Analogue Model uses probabilistic simulations of hydrogeologic processes that are analogous to the processes that occur at the Yucca Mountain site. The Nopal I uranium deposit lies in fractured, welded, and altered rhyolitic ash flow tuffs that overlie carbonate rocks, a setting analogous to the geologic formations at the Yucca Mountain site. The Nopal I mine site has the following characteristics as compared to the Yucca Mountain repository site. (1) Analogous source: UO{sub 2} uranium ore deposit = spent nuclear fuel in the repository; (2) Analogous geologic setting: fractured, welded, and altered rhyolitic ash flow tuffs overlying carbonate rocks; (3) Analogous climate: Semiarid to arid; (4) Analogous geochemistry: Oxidizing conditions; and (5) Analogous hydrogeology: The ore deposit lies in the unsaturated zone above the water table. The Nopal I deposit is approximately 8 {+-} 0.5 million years old and has been exposed to oxidizing conditions during the last 3.2 to 3.4 million years. The Pena Blanca Natural Analogue Model considers that the uranium oxide and uranium silicates in the ore deposit were originally analogous to uranium-oxide spent nuclear fuel. The Pena Blanca site has been characterized using field and laboratory investigations of its fault and fracture distribution, mineralogy, fracture fillings, seepage into the mine adits, regional hydrology, and mineralization that shows the extent of radionuclide migration. Three boreholes were drilled at the Nopal I mine site in 2003 and these boreholes have provided samples for lithologic characterization, water-level measurements, and water samples for laboratory

  18. THE PENA BLANCA NATURAL ANALOGUE PERFORMANCE ASSESSMENT MODEL

    International Nuclear Information System (INIS)

    G.J. Saulnier Jr; W. Statham

    2006-01-01

    The Nopal I uranium mine in the Sierra Pena Blanca, Chihuahua, Mexico serves as a natural analogue to the Yucca Mountain repository. The Pena Blanca Natural Analogue Performance Assessment Model simulates the mobilization and transport of radionuclides that are released from the mine and transported to the saturated zone. the Pena Blanca Natural Analogue Model uses probabilistic simulations of hydrogeologic processes that are analogous to the processes that occur at the Yucca Mountain site. The Nopal I uranium deposit lies in fractured, welded, and altered rhyolitic ash flow tuffs that overlie carbonate rocks, a setting analogous to the geologic formations at the Yucca Mountain site. The Nopal I mine site has the following characteristics as compared to the Yucca Mountain repository site. (1) Analogous source: UO 2 uranium ore deposit = spent nuclear fuel in the repository; (2) Analogous geologic setting: fractured, welded, and altered rhyolitic ash flow tuffs overlying carbonate rocks; (3) Analogous climate: Semiarid to arid; (4) Analogous geochemistry: Oxidizing conditions; and (5) Analogous hydrogeology: The ore deposit lies in the unsaturated zone above the water table. The Nopal I deposit is approximately 8 ± 0.5 million years old and has been exposed to oxidizing conditions during the last 3.2 to 3.4 million years. The Pena Blanca Natural Analogue Model considers that the uranium oxide and uranium silicates in the ore deposit were originally analogous to uranium-oxide spent nuclear fuel. The Pena Blanca site has been characterized using field and laboratory investigations of its fault and fracture distribution, mineralogy, fracture fillings, seepage into the mine adits, regional hydrology, and mineralization that shows the extent of radionuclide migration. Three boreholes were drilled at the Nopal I mine site in 2003 and these boreholes have provided samples for lithologic characterization, water-level measurements, and water samples for laboratory analysis

  19. Performance of Different Natural Antioxidant Compounds in Frying Oil

    Directory of Open Access Journals (Sweden)

    Buket Aydenız

    2016-01-01

    Full Text Available In this study, the natural green tea extract, purified lycopene, purified resveratrol and purified γ-oryzanol were added into peanut oil and their antioxidant performances were evaluated during frying. Moreover, the sensory properties of fried dough were evaluated to determine the consumption feasibility. All natural antioxidants led to significant increase in the stability of the oil samples. The ranges of measurements in the treatment groups were as follows: free acidity 0.1–2.9 g of oleic acid per 100 g of oil, conjugated dienes 0.01–0.40 g per 100 g of oil, total polar material 8.8–73.8 g per 100 g of oil, total phenolics 0.1–4.2 mg of gallic acid equivalents per 100 g of oil, and antioxidant capacity 0.5–11.0 mM of Trolox equivalents per 100 g of oil. The fatty acid and sterol compositions indicated that antioxidant supplementation could slow the oxidative degradation of unsaturated fatty acids and reduce trans-acid formation. Frying oil enriched with purified γ-oryzanol had higher sterol levels than the other enriched oil samples. The obtained quality of oil protection was in descending order: purified γ-oryzanol, green tea extract and purified lycopene.

  20. Performance of a fractional dc electric motor equipped with plastic bonded Nd2Fe14B stator poles

    International Nuclear Information System (INIS)

    Nicolaides, G.K.; Atanassova, Y.K.; Ioannides, M.G.; Tsamakis, D.M.; Gamari-Seale, H.

    1997-01-01

    Injection molding Nd 2 Fe 14 B plastic bonded magnetic material is pressed into the form of cylindrical ring segments in order to investigate its performance when used in the manufacturing of stator poles of fractional power dc motors. Measurements of speed and armature current versus different load torques were performed. The experimental results obtained for stator poles made by three plastic bonded Nd 2 Fe 14 B magnetic materials of different densities, are compared to those results obtained by using a pair of typical barium ferrite stator poles. The torque versus speed curves, the obtained mechanical power versus speed and the efficiency of the motor as a function of the speed are presented. The torque speed data in high speeds follow a linear law, as is expected by theory, while at low speeds, below a crossover point, a deviation from this linearity appears. This is attributed to temperature effects. In this work it is shown that in the region of light loads and high speeds, at a certain speed, the injection molded Nd 2 Fe 14 B permanent magnet stators produce a higher electromagnetic torque, higher mechanical power, and higher efficiency than the barium ferrite ones. copyright 1997 American Institute of Physics

  1. Self-etching ceramic primer versus hydrofluoric acid etching: Etching efficacy and bonding performance.

    Science.gov (United States)

    El-Damanhoury, Hatem M; Gaintantzopoulou, Maria D

    2018-01-01

    This study assessed the effect of pretreatment of hybrid and glass ceramics using a self-etching primer on the shear bond strength (SBS) and surface topography, in comparison to pretreatment with hydrofluoric acid and silane. 40 rectangular discs from each ceramic material (IPS e.max CAD;EM, Vita Mark II;VM, Vita Enamic;VE), were equally divided (n=10) and assigned to one of four surface pretreatment methods; etching with 4.8% hydrofluoric acid followed by Monobond plus (HFMP), Monobond etch & prime (Ivoclar Vivadent) (MEP), No treatment (NT) as negative control and Monobond plus (Ivoclar Vivadent) with no etching (MP) as positive control. SBS of resin cement (Multilink-N, Ivoclar Vivadent) to ceramic surfaces was tested following a standard protocol. Surface roughness was evaluated using an Atomic force microscope (AFM). Surface topography and elemental analysis were analyzed using SEM/EDX. Data were analyzed with two-way analysis of variance (ANOVA) and post-hoc Bonferroni test at a significance level of α=0.05. Pretreatment with HFMP resulted in higher SBS and increased surface roughness in comparison to MEP and MP. Regardless the method of surface pretreatment, the mean SBS values of EM ceramic was significantly higher (pceramics for resin-luting cementation. Copyright © 2017 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

  2. The performance of landscape concepts in spatial planning : branding, bonding and bringing about

    NARCIS (Netherlands)

    Hagens, J.E.

    2010-01-01

    Spatial planners are expressive people. They often use landscape concepts, being metaphors that refer to landscape ideas and planning principles. Examples are Green Heart, Nature Pearls and the Camelisation of landscapes. Such landscape concepts seem ‘innocent’ but are ‘guilty’ of powerful effects.

  3. Performance study of an innovative natural gas CHP system

    International Nuclear Information System (INIS)

    Fu, Lin; Zhao, Xiling; Zhang, Shigang; Li, Yan; Jiang, Yi; Li, Hui; Sun, Zuoliang

    2011-01-01

    In the last decade, technological innovation and changes in the economic and regulatory environment have resulted in increased attention to distributed energy systems (DES). Combined cooling heating and power (CHP) systems based on the gas-powered internal combustion engine (ICE) are increasingly used as small-scale distribution co-generators. This paper describes an innovative ICE-CHP system with an exhaust-gas-driven absorption heat pump (AHP) that has been set up at the energy-saving building in Beijing, China. The system is composed of an ICE, an exhaust-gas-driven AHP, and a flue gas condensation heat exchanger (CHE), which could recover both the sensible and latent heat of the flue gas. The steady performance and dynamic response of the innovative CHP system with different operation modes were tested. The results show that the system's energy utilization efficiency could reach above 90% based on lower heating value (LHV) of natural gas; that is, the innovative CHP system could increase the heat utilization efficiency 10% compared to conventional CHP systems, and the thermally activated components of the system have much more thermal inertia than the electricity generation component. The detailed test results provide important insight into CHP performance characteristics and could be valuable references for the control of CHP systems. The novel CHP system could take on a very important role in the CHP market. (author)

  4. Importance-performance analysis: an application to Michigan's natural resources

    Science.gov (United States)

    Gloria Sanders; Erin White; Lori Pennington-Gray

    2001-01-01

    In the state of Michigan, the nature-based tourist is becoming an increasingly important target market for providers of natural resources. To meet the demands of this growing market segment, evaluation strategies for nature-based sites are needed to maintain and improve customer satisfaction and loyalty. Evaluation strategies that incorporate consumer input can help to...

  5. Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

    Science.gov (United States)

    García de la Vega, J M; Omar, S; San Fabián, J

    2017-04-01

    Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

  6. Evaluating the accuracy of theoretical one-bond 13 C─13 C scalar couplings and their ability to predict structure in a natural product.

    Science.gov (United States)

    Powell, Jacob; Valenti, Domenic; Bobnar, Harley; Drain, Erika; Elliott, Blaine; Frank, Sydney; McCullough, Tyler; Moore, Sean; Kettring, Andrew; Iuliucci, Robbie; Harper, James K

    2017-11-01

    This study explores the feasibility of using a combination of experimental and theoretical 1-bond 13 C─ 13 C scalar couplings ( 1 J CC ) to establish structure in organic compounds, including unknowns. Historically, n J CC and n J CH studies have emphasized 2 and 3-bond couplings, yet 1 J CC couplings exhibit significantly larger variations. Moreover, recent improvements in experimental measurement and data processing methods have made 1 J CC data more available. Herein, an approach is evaluated in which a collection of theoretical structures is created from a partial nuclear magnetic resonance structural characterization. Computed 1 J CC values are compared to experimental data to identify candidates giving the best agreement. This process requires knowledge of the error in theoretical methods, thus the B3LYP, B3PW91, and PBE0 functionals are evaluated by comparing to 27 experimental values from INADEQUATE. Respective errors of ±1.2, ±3.8, and ±2.3 Hz are observed. An initial test of this methodology involves the natural product 5-methylmellein. In this case, only a single candidate matches experimental data with high statistical confidence. This analysis establishes the intramolecular hydrogen-bonding arrangement, ring heteroatom identity, and conformation at one position. This approach is then extended to hydroheptelidic acid, a natural product not fully characterized in prior studies. The experimental/theoretical approach proposed herein identifies a single best-fit structure from among 26 candidates and establishes, for the first time, 1 configuration and 3 conformations to complete the characterization. These results suggest that accurate and complete structural characterizations of many moderately sized organic structures (<800 Da) may be possible using only 1 J CC data. Copyright © 2017 John Wiley & Sons, Ltd.

  7. Bond behavior of reinforcing steel in ultra-high performance concrete.

    Science.gov (United States)

    2014-10-01

    Ultra-High Performance Concrete (UHPC) is a relatively new class of advanced cementitious composite : materials, which exhibits high compressive [above 21.7 ksi (150 MPa)] and tensile [above 0.72 ksi (5 MPa)] : strengths. The discrete steel fiber rei...

  8. Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results

    DEFF Research Database (Denmark)

    Kleis, Jesper; Schröder, Elsebeth; Hyldgaard, Per

    2008-01-01

    calculations, the vdW-DF study predicts an intertube vdW bonding with a strength that is consistent with recent observations for the interlayer binding in graphitics. It also produces a nanotube wall-to-wall separation, which is in very good agreement with experiments. Moreover, we find that the vdW-DF result...... for the nanotube-crystal binding energy can be approximated by a sum of nanotube-pair interactions when these are calculated in vdW-DR This observation suggests a framework for an efficient implementation of quantum-physical modeling of the carbon nanotube bundling in more general nanotube bundles, including......The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [M. Dion et al., Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and compare the binding of a pair of nanotubes...

  9. Natural circulation and stability performance of BWRs (NACUSP)

    International Nuclear Information System (INIS)

    Aguirre, C.; Caruge, D.; Castrillo, F.; Dominicus, G.; Geutjes, A.J.; Saldo, V.; Hagen, T.H.J.J. van der; Hennig, D.; Huggenberger, M.; Ketelaar, K.C.J.; Manera, A.; Munoz-Cobo, J.L.; Prasser, H.-M.; Rohde, U.; Royer, E.; Yadigaroglu, G.

    2005-01-01

    From the beginning of BWR technology it was realized that a BWR can become unstable under particular circumstances caused by a feedback between the thermal-hydraulics and the neutronics. This instability can result in oscillations of the power and the flow rate, which is an unwanted phenomenon. The NACUSP project addresses the stability issues in current and future BWRs by expanding the basic understanding through well structured testing and analyses of experimental data, by analyses of existing operational stability data from three different European reactors (Forsmark, Leibstadt, Cofrentes), by applying this knowledge via efficient models and validated computer codes to operating reactors and reactor designs, and by developing general guidelines for reactor operation and design on how to avoid BWR instabilities. In order to cover the parameter range as efficiently as possible, four existing, sophisticated thermohydraulic test facilities (CLOTAIRE [Gouirand, J.M., 1988. CLOTAIRE Program, description and manufacturing of the mock-up, CEA Cadarache, DRE/STRE/LGV 88-876.] DESIRE [van de Graaf, R., van der Hagen, T.H.J.J., Mudde, R.F., 1994. Two-phase flow scaling laws for a simulated BWR assembly. Nucl. Eng. Des. 148, 455-462.] CIRCUS [de Kruijf, W.J.M., van der Hagen, T.H.J.J., Mudde, R.F., 2000. CIRCUS; a natural circulation two-phase flow facility, Eurotherm Seminar No. 63, 6-8 September 1999 Genoa, Italy, 391-395] and PANDA [Dreier, J., Huggenberger, M., Aubert, C., Bandurski, T., Fischer, O., Healzer, J., Lomperski, S., Strassberger, H.-J., Varadi, G., Yadigaroglu, G., 1996. The PANDA facility and first test results, Kerntechnik 61, 214-222]) have been selected. To extrapolate from small-scale separate-effect testing conditions to full-scale integral reactor conditions one needs to rely on the performance of computer codes (MONA [Hoyer, N., 1994. MONA, a 7-Equation Transient two-phase flow model for LWR dynamics, Proceedings of the International Conference on

  10. Surface-bonded ionic liquid stationary phases in high-performance liquid chromatography--a review.

    Science.gov (United States)

    Pino, Verónica; Afonso, Ana M

    2012-02-10

    Ionic liquids (ILs) are a class of ionic, nonmolecular solvents which remain in liquid state at temperatures below 100°C. ILs possess a variety of properties including low to negligible vapor pressure, high thermal stability, miscibility with water or a variety of organic solvents, and variable viscosity. IL-modified silica as novel high-performance liquid chromatography (HPLC) stationary phases have attracted considerable attention for their differential behavior and low free-silanol activity. Indeed, around 21 surface-confined ionic liquids (SCIL) stationary phases have been developed in the last six years. Their chromatographic behavior has been studied, and, despite the presence of a positive charge on the stationary phase, they showed considerable promise for the separation of neutral solutes (not only basic analytes), when operated in reversed phase mode. This aspect points to the potential for truly multimodal stationary phases. This review attempts to summarize the state-of-the-art about SCIL phases including their preparation, chromatographic behavior, and analytical performance. Copyright © 2011 Elsevier B.V. All rights reserved.

  11. Standard test methods for performance characteristics of metallic bonded resistance strain gages

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    1992-01-01

    1.1 The purpose of this standard is to provide uniform test methods for the determination of strain gauge performance characteristics. Suggested testing equipment designs are included. 1.2 Test Methods E 251 describes methods and procedures for determining five strain gauge parameters: Section Part I—General Requirements 7 Part II—Resistance at a Reference Temperature 8 Part III—Gauge Factor at a Reference Temperature 9 Part IV—Temperature Coefficient of Gauge Factor\t10 Part V—Transverse Sensitivity\t11 Part VI—Thermal Output\t12 1.3 Strain gauges are very sensitive devices with essentially infinite resolution. Their response to strain, however, is low and great care must be exercised in their use. The performance characteristics identified by these test methods must be known to an acceptable accuracy to obtain meaningful results in field applications. 1.3.1 Strain gauge resistance is used to balance instrumentation circuits and to provide a reference value for measurements since all data are...

  12. performance simulation of a natural circulation solar air

    African Journals Online (AJOL)

    User

    in a single glazed flat plate natural circulation solar a prepared in modules .... Nigerian Journal of Technology, used instead of ... boundary associated with the melting the phase ...... Mathematical Modeling of the Thin Layer Drying of Sweet ...

  13. Performance of Lightweight Natural-Fiber Reinforced Concrete

    OpenAIRE

    Hardjasaputra Harianto; Ng Gino; Urgessa Girum; Lesmana Gabriella; Sidharta Steven

    2017-01-01

    Concrete, the most common construction material, has negligible tension capacity. However, a reinforcement material such as natural fibers, can be used to improve the tensile properties of concrete. This paper presents experiments conducted on Super Lightweight Concrete mixed with coconut fibers (SLNFRC). Coconut fibers are regarded as one of the toughest natural fibers to strengthen concrete. Coconut fiber reinforced composites have been considered as a sustainable construction material beca...

  14. The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory.

    Science.gov (United States)

    Dumas, Thomas; Guillaumont, Dominique; Fillaux, Clara; Scheinost, Andreas; Moisy, Philippe; Petit, Sébastien; Shuh, David K; Tyliszczak, Tolek; Den Auwer, Christophe

    2016-01-28

    The electronic properties of actinide cations are of fundamental interest to describe intramolecular interactions and chemical bonding in the context of nuclear waste reprocessing or direct storage. The 5f and 6d orbitals are the first partially or totally vacant states in these elements, and the nature of the actinide ligand bonds is related to their ability to overlap with ligand orbitals. Because of its chemical and orbital selectivities, X-ray absorption spectroscopy (XAS) is an effective probe of actinide species frontier orbitals and for understanding actinide cation reactivity toward chelating ligands. The soft X-ray probes of the light elements provide better resolution than actinide L3-edges to obtain electronic information from the ligand. Thus coupling simulations to experimental soft X-ray spectral measurements and complementary quantum chemical calculations yields quantitative information on chemical bonding. In this study, soft X-ray XAS at the K-edges of C and N, and the L2,3-edges of Fe was used to investigate the electronic structures of the well-known ferrocyanide complexes K4Fe(II)(CN)6, thorium hexacyanoferrate Th(IV)Fe(II)(CN)6, and neodymium hexacyanoferrate KNd(III)Fe(II)(CN)6. The soft X-ray spectra were simulated based on quantum chemical calculations. Our results highlight the orbital overlapping effects and atomic effective charges in the Fe(II)(CN)6 building block. In addition to providing a detailed description of the electronic structure of the ferrocyanide complex (K4Fe(II)(CN)6), the results strongly contribute to confirming the actinide 5f and 6d orbital oddity in comparison to lanthanide 4f and 5d.

  15. Performance of Naturally Aspirating IC Engines Operating at High ...

    African Journals Online (AJOL)

    The loss of power and the increase of fuel consumption of naturally aspirating IC engines operating with low atmospheric pressure at high altitude as well as changes in the mixture quality with non adapting mixture formation systems are principally known. Other effects like the additional advance of ignition timing in petrol ...

  16. PERFORMANCE IMPROVEMENT OF A CHEMICAL REACTOR BY NONLINEAR NATURAL OSCILLATIONS

    NARCIS (Netherlands)

    RAY, AK

    1995-01-01

    The dynamic behaviour of two coupled continuous stirred tank reactors in sequence is studied when the first reactor is being operated under limit cycle regimes producing self-sustained natural oscillations. The periodic output from the first reactor is then used as a forced input into the second

  17. The variable and chaotic nature of professional golf performance.

    Science.gov (United States)

    Stöckl, Michael; Lamb, Peter F

    2018-05-01

    In golf, unlike most other sports, individual performance is not the result of direct interactions between players. Instead decision-making and performance is influenced by numerous constraining factors affecting each shot. This study looked at the performance of PGA TOUR golfers in 2011 in terms of stability and variability on a shot-by-shot basis. Stability and variability were assessed using Recurrence Quantification Analysis (RQA) and standard deviation, respectively. About 10% of all shots comprised short stable phases of performance (3.7 ± 1.1 shots per stable phase). Stable phases tended to consist of shots of typical performance, rather than poor or exceptional shots; this finding was consistent for all shot categories. Overall, stability measures were not correlated with tournament performance. Variability across all shots was not related to tournament performance; however, variability in tee shots and short approach shots was higher than for other shot categories. Furthermore, tee shot variability was related to tournament standing: decreased variability was associated with better tournament ranking. The findings in this study showed that PGA TOUR golf performance is chaotic. Further research on amateur golf performance is required to determine whether the structure of amateur golf performance is universal.

  18. Tug-of-war between classical and multicenter bonds in H-(Be)n-H species

    Science.gov (United States)

    Lundell, Katie A.; Boldyrev, Alexander I.

    2018-05-01

    Quantum chemical calculations were performed for beryllium homocatenated compounds [H-(Be)n-H]. Global minimum structures were found using machine searches (Coalescence Kick method) with density functional theory. Chemical bonding analysis was performed with the Adaptive Natural Density Partitioning method. It was found that H-(Be)2-H and H-(Be)3-H clusters are linear with classical two-center two-electron bonds, while for n > 3, three-dimensional structures are more stable with multicenter bonding. Thus, at n = 4, multicenter bonding wins the tug-of-war vs. the classical bonding.

  19. Bond Issues.

    Science.gov (United States)

    Pollack, Rachel H.

    2000-01-01

    Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…

  20. Economical and geopolitical aspects bond to the foreseen development of the natural gas in an open market

    International Nuclear Information System (INIS)

    2001-12-01

    For the first time in 2000, the part of natural gas is equal to those of coal in the world energy accounting. The economy and the geo-policy of this developing energy is analyzed, showing an economy dominated by the transport costs, the specificity of the european sector and the opening market since 1980. The european market opening incertitudes and opportunities are detailed. In conclusion the Gaz De France role in the european energy pole and the new regulations are discussed. (A.L.B.)

  1. Preparation and evaluation of surface-bonded tricationic ionic liquid silica as stationary phases for high-performance liquid chromatography.

    Science.gov (United States)

    Qiao, Lizhen; Shi, Xianzhe; Lu, Xin; Xu, Guowang

    2015-05-29

    Two tricationic ionic liquids were prepared and then bonded onto the surface of supporting silica materials through "thiol-ene" click chemistry as new stationary phases for high-performance liquid chromatography. The obtained columns of tricationic ionic liquids were evaluated respectively in the reversed-phase liquid chromatography (RPLC) mode and hydrophilic interaction liquid chromatography (HILIC) mode, and possess ideal column efficiency of 80,000 plates/m in the RPLC mode with naphthalene as the test solute. The tricationic ionic liquid stationary phases exhibit good hydrophobic and shape selectivity to hydrophobic compounds, and RPLC retention behavior with multiple interactions. In the HILIC mode, the retention and selectivity were evaluated through the efficient separation of nucleosides and bases as well as flavonoids, and the typical HILIC retention behavior was demonstrated by investigating retention changes of hydrophilic solutes with water volume fraction in mobile phase. The results show that the tricationic ionic liquid columns possess great prospect for applications in analysis of hydrophobic and hydrophilic samples. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Urea functionalized surface-bonded sol-gel coating for on-line hyphenation of capillary microextraction with high-performance liquid chromatography.

    Science.gov (United States)

    Jillani, Shehzada Muhammad Sajid; Alhooshani, Khalid

    2018-03-30

    Sol-gel urea functionalized-[bis(hydroxyethyl)amine] terminated polydimethylsiloxane coating was developed for capillary microextraction-high performance liquid chromatographic analysis from aqueous samples. A fused silica capillary is coated from the inside with surface bonded coating material and is created through in-situ sol-gel reaction. The urea-functionalized coating was immobilized to the inner surface of the capillary by the condensation reaction of silanol groups of capillary and sol-solution. The characterization of the coating material was successfully done by using X-ray photoelectron spectroscopy, thermogravimetric analysis, field emission scanning electron microscope, and energy dispersive X-ray spectrometer. To make a setup of online capillary microextraction-high performance liquid chromatography, the urea functionalized capillary was installed in the HPLC manual injection port. The analytes of interest were pre-concentrated in the coated sampling loop, desorbed by the mobile phase, chromatographically separated on C-18 column, and analyzed by UV detector. Sol-gel coated capillaries were used for online extraction and high-performance liquid chromatographic analysis of phenols, ketones, aldehydes, and polyaromatic hydrocarbons. This newly developed coating showed excellent extraction for a variety of analytes ranging from highly polar to non-polar in nature. The analysis using sol-gel coating showed excellent overall sensitivity in terms of lower detection limits (S/N = 3) for the analytes (0.10 ng mL -1 -14.29 ng mL -1 ) with acceptable reproducibility that is less than 12.0%RSD (n = 3). Moreover, the capillary to capillary reproducibility of the analysis was also tested by changing the capillary of the same size. This provided excellent%RSD of less than 10.0% (n = 3). Copyright © 2018 Elsevier B.V. All rights reserved.

  3. Performance of Lightweight Natural-Fiber Reinforced Concrete

    Directory of Open Access Journals (Sweden)

    Hardjasaputra Harianto

    2017-01-01

    Full Text Available Concrete, the most common construction material, has negligible tension capacity. However, a reinforcement material such as natural fibers, can be used to improve the tensile properties of concrete. This paper presents experiments conducted on Super Lightweight Concrete mixed with coconut fibers (SLNFRC. Coconut fibers are regarded as one of the toughest natural fibers to strengthen concrete. Coconut fiber reinforced composites have been considered as a sustainable construction material because the fibers are derived from waste. These wastes, which are available in large quantities in Asia, have to be extracted from the husk of coconut fruits and must pass a mechanical process before being added to a concrete mixture. The Super Lightweight Concrete was made by mixing concrete paste with foam agent that can reduce the overall weight of concrete up to 60% with compressive strength up to 6 MPa. The Super Lightweight Concrete is intended to be used for non-structural walls, as alternative conventional construction materials such as brick walls. The influence of coconut fibers content in increasing the flexural tensile strength of Super Lightweight Concrete was studied in this research. The fiber content studied include 0%, 0.1%, 0.175%, and 0.25% by weight of cement content. Sixteen specimens of SLNFRC mini beams of 60 mm x 60 mm x 300 mm were tested to failure to investigate their flexural strengths. The optimum percent fibers yielding higher tensile strength was found to be 0.175%

  4. Advanced applications of natural language processing for performing information extraction

    CERN Document Server

    Rodrigues, Mário

    2015-01-01

    This book explains how can be created information extraction (IE) applications that are able to tap the vast amount of relevant information available in natural language sources: Internet pages, official documents such as laws and regulations, books and newspapers, and social web. Readers are introduced to the problem of IE and its current challenges and limitations, supported with examples. The book discusses the need to fill the gap between documents, data, and people, and provides a broad overview of the technology supporting IE. The authors present a generic architecture for developing systems that are able to learn how to extract relevant information from natural language documents, and illustrate how to implement working systems using state-of-the-art and freely available software tools. The book also discusses concrete applications illustrating IE uses.   ·         Provides an overview of state-of-the-art technology in information extraction (IE), discussing achievements and limitations for t...

  5. 46 CFR Sec. 10 - Bonds.

    Science.gov (United States)

    2010-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form 25...

  6. Effect of EDTA Conditioning and Carbodiimide Pretreatment on the Bonding Performance of All-in-One Self-Etch Adhesives

    Directory of Open Access Journals (Sweden)

    Shipra Singh

    2015-01-01

    Full Text Available Objective. This study evaluated the effect of ethylenediaminetetraacetic acid (EDTA conditioning and carbodiimide (EDC pretreatment on the shear bond strength of two all-in-one self-etch adhesives to dentin. Methods. Flat coronal dentin surfaces were prepared on one hundred and sixty extracted human molars. Teeth were randomly divided into eight groups according to two different self-etch adhesives used [G-Bond and OptiBond-All-In-One] and four different surface pretreatments: (a adhesive applied following manufacturer’s instructions; (b dentin conditioning with 24% EDTA gel prior to application of adhesive; (c EDC pretreatment followed by application of adhesive; (d application of EDC on EDTA conditioned dentin surface followed by application of adhesive. Composite restorations were placed in all the samples. Ten samples from each group were subjected to immediate and delayed (6-month storage in artificial saliva shear bond strength evaluation. Data collected was subjected to statistical analysis using three-way ANOVA and post hoc Tukey’s test at a significance level of p<0.05.  Results and Conclusion. EDTA preconditioning as well as EDC pretreatment alone had no significant effect on the immediate and delayed bond strengths of either of the adhesives. However, EDC pretreatment on EDTA conditioned dentin surface resulted in preservation of resin-dentin bond strength of both adhesives with no significant fall over six months.

  7. On the Dynamic Nature of Performance Management Regimes

    DEFF Research Database (Denmark)

    Kristiansen, Mads Bøge; Dahler-Larsen, Peter; Ghin, Eva Moll

    2018-01-01

    The ambition of this article is to gain a better understanding of the endogenous dynamics of performance management regimes. Based on a review of the literature, we develop a framework that enables us to grasp dimensions and mechanisms of escalation. Hereafter, we demonstrate the use of our frame...

  8. Evaluating Organizational Performance: Rational, Natural, and Open System Models

    Science.gov (United States)

    Martz, Wes

    2013-01-01

    As the definition of organization has evolved, so have the approaches used to evaluate organizational performance. During the past 60 years, organizational theorists and management scholars have developed a comprehensive line of thinking with respect to organizational assessment that serves to inform and be informed by the evaluation discipline.…

  9. Mechanical properties of hexaferite based magnet composite of SrFe12019 and BaFe12O19 with natural rubber bonding agent

    International Nuclear Information System (INIS)

    Waluyo, T.; Herman, Y.A.; Sudirman; Ridwan

    2000-01-01

    Research on mechanical properties at magnet composite of SrFe 12 0 19 (SrM) and BaFe 12 O 19 (BaM)magnet powder with natural rubber bonding agent have been done. The natural rubber used was rubber made of latex without vulcanization, The SrM powder having average particle size of 1.6 μm and flat shaped. and the BaM powder having particle size of 1.2 μm and nodular shaped. The production of composite carried out in Labo Plastomill at 100 o C and mixer speed of 30 rpm for 7 minutes. The result obtained from Labo Plastomill then made into sheets. Mechanical properties of the composite tested were strain, elongation break and hardness, The results showed that the highest strain of the SrM composite obtained at composition of 70% vol of powder that is 2,22 MPa, and 3,84 MPa for BaM composite at 50% vol. of powder The elongation break of SrM composite decreased by increasing of powder volume fraction, that is 90% at the composition or 70% vol. of powder, and 370% for BaM composite at 50% vol. fraction of powder. The highest hardness for SrM composite obtained at composition of of 70% vol. of powder, that is 95 SHA. and for the BaM composite at 50% vol. of powder. that is 52 SHA

  10. Pricing catastrophic bonds for earthquakes in Mexico

    OpenAIRE

    Cabrera, Brenda López

    2006-01-01

    After the occurrence of a natural disaster, the reconstruction can be financed with catastrophic bonds (CAT bonds) or reinsurance. For insurers, reinsurers and other corporations CAT bonds provide multi year protection without the credit risk present in reinsurance. For investors CAT bonds offer attractive returns and reduction of portfolio risk, since CAT bonds defaults are uncorrelated with defaults of other securities. As the study of natural catastrophe models plays an important role in t...

  11. Performance analysis of solar energy integrated with natural-gas-to-methanol process

    International Nuclear Information System (INIS)

    Yang, Sheng; Liu, Zhiqiang; Tang, Zhiyong; Wang, Yifan; Chen, Qianqian; Sun, Yuhan

    2017-01-01

    Highlights: • Solar energy integrated with natural-gas-to-methanol process is proposed. • The two processes are modeled and simulated. • Performance analysis of the two processes are conducted. • The proposed process can cut down the greenhouse gas emission. • The proposed process can save natural gas consumption. - Abstract: Methanol is an important platform chemical. Methanol production using natural gas as raw material has short processing route and well developed equipment and technology. However, natural gas reserves are not large in China. Solar energy power generation system integrated with natural-gas-to-methanol (NGTM) process is developed, which may provide a technical routine for methanol production in the future. The solar energy power generation produces electricity for reforming unit and system consumption in solar energy integrated natural-gas-to-methanol system (SGTM). Performance analysis of conventional natural-gas-to-methanol process and solar energy integrated with natural-gas-to-methanol process are presented based on simulation results. Performance analysis was conducted considering carbon efficiency, production cost, solar energy price, natural gas price, and carbon tax. Results indicate that solar energy integrated with natural-gas-to-methanol process is able to cut down the greenhouse gas (GHG) emission. In addition, solar energy can replace natural gas as fuel. This can reduce the consumption of natural gas, which equals to 9.2% of the total consumed natural gas. However, it is not economical considering the current technology readiness level, compared with conventional natural-gas-to-methanol process.

  12. Decline Curve Based Models for Predicting Natural Gas Well Performance

    OpenAIRE

    Kamari, Arash; Mohammadi, Amir H.; Lee, Moonyong; Mahmood, Tariq; Bahadori, Alireza

    2016-01-01

    The productivity of a gas well declines over its production life as cannot cover economic policies. To overcome such problems, the production performance of gas wells should be predicted by applying reliable methods to analyse the decline trend. Therefore, reliable models are developed in this study on the basis of powerful artificial intelligence techniques viz. the artificial neural network (ANN) modelling strategy, least square support vector machine (LSSVM) approach, adaptive neuro-fuzzy ...

  13. Natural Composites: Cellulose Fibres and the related Performance of Composites

    DEFF Research Database (Denmark)

    Lilholt, Hans; Madsen, Bo

    2014-01-01

    Biobased materials are becoming of increasing interest as potential structural materials for the future. A useful concept in this context is the fibre reinforcement of materials by stiff and strong fibres. The biobased resources can contribute with cellulose fibres and biopolymers. This offers th...... in stiffness, on the packing ability of cellulose fibres and the related maximum fibre volume fraction in composites, on the moisture sorption of cellulose fibres and the related mass increase and (large) hygral strains induced, and on the mechanical performance of composites....

  14. Thermal hydraulic performance of naturally aspirated control rod housing assemblies

    International Nuclear Information System (INIS)

    Geiger, G.T.; Randolph, H.W.; Paik, I.K.; Foti, D.J.

    1992-01-01

    Savannah River Site reactors are comprised of heat generating fuel/target assemblies, control rods which regulate reactor power, and heavy water which acts as the coolant and as a moderator. The fuel/target assemblies are cooled by the downflow of heavy water while the control rods are cooled via upflow. Five control rods are grouped with two safety rods in seven-channel assemblies called septifoils. Under normal operating conditions, the reactor power level, radial shape flux and axial power flux are regulated by the positioning of the control rods. The control rods are solid rods of a lithium-aluminum alloy with an thin aluminum outer sheath. Lithium is a good absorber of neutrons and, thus control rod temperatures rise with reactor power. At conditions of sufficiently high reactor power and degraded coolant flow, the control rods could heat sufficiently to cause a metallurigical failure of the sheath leading to molten material coming in contact with water and the possibility of a steam explosion. An accident has been postulated as part of the analysis involving the safety upgrade of Savannah River Site reactors in which the housing is not seated on the pin. Coolant from the upflow pin would not be directed into the housing but, into the moderator space surrounding the housing. Only naturally aspirated cooling due to buoyancy effects would be available to cool the control rods and the coolant mass flow rate would drop significantly from its nominal value. In this study, the mechanisms and limits of cooling heated rods housed in an unseated septifoil are addressed. Experiments were conducted on a shortened, prototypic housing with electrically heated rods to gain an understanding of the phenomena governing the cooling in such a case and develop data which can be used to evaluate predictive models. These experiments are described, their results discussed, and the predictions of current models is presented

  15. Decline curve based models for predicting natural gas well performance

    Directory of Open Access Journals (Sweden)

    Arash Kamari

    2017-06-01

    Full Text Available The productivity of a gas well declines over its production life as cannot cover economic policies. To overcome such problems, the production performance of gas wells should be predicted by applying reliable methods to analyse the decline trend. Therefore, reliable models are developed in this study on the basis of powerful artificial intelligence techniques viz. the artificial neural network (ANN modelling strategy, least square support vector machine (LSSVM approach, adaptive neuro-fuzzy inference system (ANFIS, and decision tree (DT method for the prediction of cumulative gas production as well as initial decline rate multiplied by time as a function of the Arps' decline curve exponent and ratio of initial gas flow rate over total gas flow rate. It was concluded that the results obtained based on the models developed in current study are in satisfactory agreement with the actual gas well production data. Furthermore, the results of comparative study performed demonstrates that the LSSVM strategy is superior to the other models investigated for the prediction of both cumulative gas production, and initial decline rate multiplied by time.

  16. The Effect of Phosphoric Acid Pre-etching Times on Bonding Performance and Surface Free Energy with Single-step Self-etch Adhesives.

    Science.gov (United States)

    Tsujimoto, A; Barkmeier, W W; Takamizawa, T; Latta, M A; Miyazaki, M

    2016-01-01

    The purpose of this study was to evaluate the effect of phosphoric acid pre-etching times on shear bond strength (SBS) and surface free energy (SFE) with single-step self-etch adhesives. The three single-step self-etch adhesives used were: 1) Scotchbond Universal Adhesive (3M ESPE), 2) Clearfil tri-S Bond (Kuraray Noritake Dental), and 3) G-Bond Plus (GC). Two no pre-etching groups, 1) untreated enamel and 2) enamel surfaces after ultrasonic cleaning with distilled water for 30 seconds to remove the smear layer, were prepared. There were four pre-etching groups: 1) enamel surfaces were pre-etched with phosphoric acid (Etchant, 3M ESPE) for 3 seconds, 2) enamel surfaces were pre-etched for 5 seconds, 3) enamel surfaces were pre-etched for 10 seconds, and 4) enamel surfaces were pre-etched for 15 seconds. Resin composite was bonded to the treated enamel surface to determine SBS. The SFEs of treated enamel surfaces were determined by measuring the contact angles of three test liquids. Scanning electron microscopy was used to examine the enamel surfaces and enamel-adhesive interface. The specimens with phosphoric acid pre-etching showed significantly higher SBS and SFEs than the specimens without phosphoric acid pre-etching regardless of the adhesive system used. SBS and SFEs did not increase for phosphoric acid pre-etching times over 3 seconds. There were no significant differences in SBS and SFEs between the specimens with and without a smear layer. The data suggest that phosphoric acid pre-etching of ground enamel improves the bonding performance of single-step self-etch adhesives, but these bonding properties do not increase for phosphoric acid pre-etching times over 3 seconds.

  17. Parental Bonding

    Directory of Open Access Journals (Sweden)

    T. Paul de Cock

    2014-08-01

    Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.

  18. Group music performance causes elevated pain thresholds and social bonding in small and large groups of singers

    Science.gov (United States)

    Weinstein, Daniel; Launay, Jacques; Pearce, Eiluned; Dunbar, Robin I. M.; Stewart, Lauren

    2016-01-01

    Over our evolutionary history, humans have faced the problem of how to create and maintain social bonds in progressively larger groups compared to those of our primate ancestors. Evidence from historical and anthropological records suggests that group music-making might act as a mechanism by which this large-scale social bonding could occur. While previous research has shown effects of music making on social bonds in small group contexts, the question of whether this effect ‘scales up’ to larger groups is particularly important when considering the potential role of music for large-scale social bonding. The current study recruited individuals from a community choir that met in both small (n = 20 – 80) and large (a ‘megachoir’ combining individuals from the smaller subchoirs n = 232) group contexts. Participants gave self-report measures (via a survey) of social bonding and had pain threshold measurements taken (as a proxy for endorphin release) before and after 90 minutes of singing. Results showed that feelings of inclusion, connectivity, positive affect, and measures of endorphin release all increased across singing rehearsals and that the influence of group singing was comparable for pain thresholds in the large versus small group context. Levels of social closeness were found to be greater at pre- and post-levels for the small choir condition. However, the large choir condition experienced a greater change in social closeness as compared to the small condition. The finding that singing together fosters social closeness – even in large contexts where individuals are not known to each other – is consistent with evolutionary accounts that emphasize the role of music in social bonding, particularly in the context of creating larger cohesive groups than other primates are able to manage. PMID:27158219

  19. Three-dimensionally porous graphene: A high-performance adsorbent for removal of albumin-bonded bilirubin.

    Science.gov (United States)

    Ma, Chun Fang; Gao, Qiang; Xia, Kai Sheng; Huang, Zhi Yuan; Han, Bo; Zhou, Cheng Gang

    2017-01-01

    The development of bilirubin adsorbents with high adsorption efficiencies towards albumin-bonded bilirubin is still a considerable challenge. In this work, a three-dimensionally porous graphene (3D-pGR) has been fabricated through a simple carbon dioxide (CO 2 ) activation of thermally exfoliated graphite oxide (EGO). Intriguingly, the resultant 3D-pGR material showed hierarchically micro-meso-macroporous structure, high specific surface area of up to 843m 2 g -1 , and large pore volume as high as 2.71cm 3 g -1 . Besides, the large planar π-configuration structure of 3D-pGR made it possible to compete effectively with albumin for bilirubin binding. Taking advantages of these fantastic characteristics, the 3D-pGR was demonstrated to be extraordinarily efficient for bilirubin removal from a bovine serum albumin (BSA)-rich solution. Under optimized conditions, the maximum adsorption capacity of 3D-pGR for BSA-bonded bilirubin was up to 126.1mgg -1 , which is not only significantly higher than the adsorption capacities of currently available adsorbents towards albumin-bonded bilirubin, but also superior to those of many reported adsorbents towards free bilirubin. In addition, the hemolysis assay of 3D-pGR indicated that this material had negligible hemolysis effect. Findings from this study may open up important new possibilities for removal of protein-bonded toxins. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Nature of Bonding in Bowl-Like B36 Cluster Revisited: Concentric (6π+18π) Double Aromaticity and Reason for the Preference of a Hexagonal Hole in a Central Location.

    Science.gov (United States)

    Li, Rui; You, Xue-Rui; Wang, Kang; Zhai, Hua-Jin

    2018-05-04

    The bowl-shaped C 6v B 36 cluster with a central hexagon hole is considered an ideal molecular model for low-dimensional boron-based nanosystems. Owing to the electron deficiency of boron, chemical bonding in the B 36 cluster is intriguing, complicated, and has remained elusive despite a couple of papers in the literature. Herein, a bonding analysis is given through canonical molecular orbitals (CMOs) and adaptive natural density partitioning (AdNDP), further aided by natural bond orbital (NBO) analysis and orbital composition calculations. The concerted computational data establish the idea of concentric double π aromaticity for the B 36 cluster, with inner 6π and outer 18π electron counting, which both conform to the (4n+2) Hückel rule. The updated bonding picture differs from existing knowledge of the system. A refined bonding model is also proposed for coronene, of which the B 36 cluster is an inorganic analogue. It is further shown that concentric double π aromaticity in the B 36 cluster is retained and spatially fixed, irrespective of the migration of the hexagonal hole; the latter process changes the system energetically. The hexagonal hole is a destabilizing factor for σ/π CMOs. The central hexagon hole affects substantially fewer CMOs, thus making the bowl-shaped C 6v B 36 cluster the global minimum. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Exploring the nature of the H-bonds between the human class II MHC protein, HLA-DR1 (DRB*0101) and the influenza virus hemagglutinin peptide, HA306-318, using the quantum theory of atoms in molecules.

    Science.gov (United States)

    Aray, Yosslen; Aguilera-García, Ricardo; Izquierdo, Daniel R

    2018-01-02

    The nature of the H-bonds between the human protein HLA-DR1 (DRB*0101) and the hemagglutinin peptide HA306-318 has been studied using the Quantum Theory of Atoms in Molecules for the first time. We have found four H-bond groups: one conventional CO··HN bond group and three nonconventional CO··HC, π··HC involving aromatic rings and HN··HC aliphatic groups. The calculated electron density at the determined H-bond critical points suggests the follow protein pocket binding trend: P1 (2,311) > P9 (1.109) > P4 (0.950) > P6 (0.553) > P7 (0.213) which agrees and reveal the nature of experimental findings, showing that P1 produces by a long way the strongest binding of the HLA-DR1 human protein molecule with the peptide backbone as consequence of the vast number of H-bonds in the P1 area and at the same time the largest specific binding of the peptide Tyr308 residue with aromatic residues located at the binding groove floor. The present results suggest the topological analysis of the electronic density as a valuable tool that allows a non-arbitrary partition of the pockets binding energy via the calculated electron density at the determined critical points.

  2. High-performance characteristics of the bonded magnets produced from the Sm2 Fe17 Nx powder stabilized by photo-induced zinc metal coatings

    International Nuclear Information System (INIS)

    Machida, K.; Izumi, H.; Shiomi, A.; Iguchi, M.; Adachi, G.

    1996-01-01

    Finely and uniformly ground powders of Sm 2 Fe 17 N x were stabilized by surface-coating with the zinc metal produced from Zn (C 2 H 5 ) 2 . The epoxy resin-bonded magnets produced from the Zn/Sm 2 Fe 17 N x composite powder provided high-performance permanent magnetic characteristics: (BH)max=∼ 176 kJm -3 . (author)

  3. Electronic states and nature of bonding in the molecule YC by all electron ab initio multiconfiguration self-consistent-field calculations and mass spectrometric equilibrium experiments

    DEFF Research Database (Denmark)

    Shim, Irene; Pelino, Mario; Gingerich, Karl A.

    1992-01-01

    , and they hardly contribute to the bonding. The chemical bond in the YC molecule is polar with charge transfer from Y to C giving rise to a dipole moment of 3.90 D at 3.9 a.u. in the 4PI ground state. Mass spectrometric equilibrium investigations in the temperature range 2365-2792 K have resulted...

  4. Amalgam shear bond strength to dentin using different bonding agents.

    Science.gov (United States)

    Vargas, M A; Denehy, G E; Ratananakin, T

    1994-01-01

    This study evaluated the shear bond strength of amalgam to dentin using five different bonding agents: Amalgambond Plus, Optibond, Imperva Dual, All-Bond 2, and Clearfil Liner Bond. Flat dentin surfaces obtained by grinding the occlusal portion of 50 human third molars were used for this study. To contain the amalgam on the tooth surface, cylindrical plastic molds were placed on the dentin and secured with sticky wax. The bonding agents were then applied according to the manufacturers' instructions or light activated and Tytin amalgam was condensed into the plastic molds. The samples were thermocycled and shear bond strengths were determined using an Instron Universal Testing Machine. Analysis by one-way ANOVA indicated significant difference between the five groups (P < 0.05). The bond strength of amalgam to dentin was significantly higher with Amalgambond Plus using the High-Performance Additive than with the other four bonding agents.

  5. Stress Response and Cognitive Performance Modulation in Classroom versus Natural Environments

    DEFF Research Database (Denmark)

    Mygind, Lærke; Stevenson, Matt P; Liebst, Lasse S

    2018-01-01

    explores the impact of natural environments on stress response during rest and mental load and cognitive performance in 47 children aged 10⁻12 years in a school context. Heart rate variability measures indexing tonic, event, and phasic vagal tone and attention scores were compared across classroom...... and natural environments. Tonic vagal tone was higher in the natural environment than the classrooms, but no differences were found in event or phasic vagal tone or cognitive performance measures. These findings suggest a situational aspect of the conditions under which natural environments may give rise...

  6. Natural physical and biological processes compromise the long-term performance of compacted soil caps

    International Nuclear Information System (INIS)

    Smith, E.D.

    1995-01-01

    Compacted soil barriers are components of essentially all caps placed on closed waste disposal sites. The intended functions of soil barriers in waste facility caps include restricting infiltration of water and release of gases and vapors, either independently or in combination with synthetic membrane barriers, and protecting other manmade or natural barrier components. Review of the performance of installed soil barriers and of natural processes affecting their performance indicates that compacted soil caps may function effectively for relatively short periods (years to decades), but natural physical and biological processes can be expected to cause them to fail in the long term (decades to centuries). This paper addresses natural physical and biological processes that compromise the performance of compacted soil caps and suggests measures that may reduce the adverse consequences of these natural failure mechanisms

  7. Fusion bonded epoxy mainline and field joint coatings performance from the X100 field trial – A case study

    International Nuclear Information System (INIS)

    Jadoon, A.N.K.; Thompson, I.

    2012-01-01

    Operating and distribution companies are potentially interested in the use of high and ultra-high strength steels for the transportation of high pressure gas. The ultra-high strength X100 grade steel was commercially developed as a potential option to meet this. However, there has been limited industry wide use of X100 to date. BP carried out a 2 year field trial to demonstrate the operational capacity and integrity of a large diameter (48 inch/1219 mm) high pressure pipeline constructed from X100 grade steel. The 800 m pipeline was buried in a clay backfill and exposed to wet ground conditions associated with the North of England. Flow pressure cycling was carried out, using water, to simulate 40 years of operational service. A 200 m section of the pipeline was exposed to three different potential (cathodic protection) zones for the duration of the trial: zero potential, intermediate potential (−850 to −950 mV) and high potential (−1200 to −1300 mV). This section also had damage and defects induced which are typically associated with bad installation and commissioning. An area of potential concern is the degradation of the mechanical properties (strain ageing) due to the external coating application temperature. Thus, a low coating application temperature is deemed desirable. The mainline and field joint coatings employed for the trial were fusion bonded epoxy (FBE). Both of these have been used in other BP projects, with a good track record. They were applied at a lower application temperature of 220 °C, compared to the more typical 230–240 °C. The lower application temperature was within the manufacturers approved application and curing temperature range. The lower temperature was used to assess the ultimate performance properties of the mainline and field joint FBE coatings. Mainline and field joint coating samples were taken from the three different potential zones and extensive testing and characterisation carried out. This paper presents and

  8. Fusion bonded epoxy mainline and field joint coatings performance from the X100 field trial - A case study

    Energy Technology Data Exchange (ETDEWEB)

    Jadoon, A.N.K., E-mail: ammer.jadoon@bp.com [BP Exploration and Production Technology, Chertsey Road, Sunbury TW16-7LN (United Kingdom); Thompson, I. [GL Industrial Services UK, Holywell Park, Loughborough LE11-3GR (United Kingdom)

    2012-04-15

    Operating and distribution companies are potentially interested in the use of high and ultra-high strength steels for the transportation of high pressure gas. The ultra-high strength X100 grade steel was commercially developed as a potential option to meet this. However, there has been limited industry wide use of X100 to date. BP carried out a 2 year field trial to demonstrate the operational capacity and integrity of a large diameter (48 inch/1219 mm) high pressure pipeline constructed from X100 grade steel. The 800 m pipeline was buried in a clay backfill and exposed to wet ground conditions associated with the North of England. Flow pressure cycling was carried out, using water, to simulate 40 years of operational service. A 200 m section of the pipeline was exposed to three different potential (cathodic protection) zones for the duration of the trial: zero potential, intermediate potential (-850 to -950 mV) and high potential (-1200 to -1300 mV). This section also had damage and defects induced which are typically associated with bad installation and commissioning. An area of potential concern is the degradation of the mechanical properties (strain ageing) due to the external coating application temperature. Thus, a low coating application temperature is deemed desirable. The mainline and field joint coatings employed for the trial were fusion bonded epoxy (FBE). Both of these have been used in other BP projects, with a good track record. They were applied at a lower application temperature of 220 Degree-Sign C, compared to the more typical 230-240 Degree-Sign C. The lower application temperature was within the manufacturers approved application and curing temperature range. The lower temperature was used to assess the ultimate performance properties of the mainline and field joint FBE coatings. Mainline and field joint coating samples were taken from the three different potential zones and extensive testing and characterisation carried out. This paper

  9. Implementation of a Performance Task for Developing the Value of Love of Nature

    Science.gov (United States)

    Aktepe, Vedat

    2015-01-01

    The purpose of this study is to determine the effects of the love of nature performance task on the opinions and attitudes of 4th grade primary school students at the Science and Art center towards their value of love of nature. The mixed method was used by means of both quantitative and qualitative research models. The experimental group…

  10. Natural bond orbital analysis of molecular interactions: Theoretical study of W(CO)5 complexes with E(PH3)2 and NHEMe ligands (E=C, Si, Ge, Sn, Pb)

    International Nuclear Information System (INIS)

    Nguyen Thi Ai Nhung; Huynh Thi Phuong Loan; Duong Tuan Quang; Pham Van Tat

    2014-01-01

    The complexes with ligands carbodiphosphorane-analogues (called tetrylones) [(CO) 5 W-{E(PH 3 ) 2 }] (W5-EP 2 ) and N-heterocyclic carbene-analogues (called tetrylenes) [(CO) 5 W-{NHE Me }] (W5-NHE Me ) when E=C-Pb have been studied using natural bond orbital (NBO) method. The NBO analysis provides a consistent picture of the chemical bonding is two entire families of transition metal complexes of tetrylone and tetrylene ligands in term of donor-acceptor interactions, showing the correlation of these interactions with Wiberg bond indies (WBI), natural partial charges, and the energetically highest lying occupied molecular orbitals for σ and π orbitals of free ligands E(PH 3 ) 2 and NHE Me . Analysis of the bonding situation reveals that in E(PH 3 ) 2 and NHE Me ligands, the energy level of the π orbital rises, whereas that of the σ orbital decreases as atom E becomes heavier. The complexes with head-on-bonded ligands have (CO) 5 W←E donation which comes from the σ-lone-pair orbital of E(PH 3 ) 2 and NHE Me where E=C for tetrylones and E=C, Si, Ge for tetrylenes, whereas the (CO) 5 W←E donation in the side-on bonded complexes when E becomes heavier arises from the π-lone-pair orbital of E(PH 3 ) 2 and NHE Me ligands which is the HOMO of the free ligands. This makes the heavier adducts of tetrylones and tetrylenes become stronger donors than the lighter systems. The NBO analysis suggests that the E(PH 3 ) 2 ligands are strong σ-donors and strong π-acceptors while the NHE Me ligands are strong σ-donors and weak π-acceptors. This is possible for tetrylones that have two lone-pair orbitals available for donation, whereas the tetrylenes have only one lone-pair orbital available for donation. (author)

  11. Hybrid Cat Bonds

    OpenAIRE

    Barrieu, Pauline; Louberge, Henri

    2009-01-01

    Natural catastrophes attract regularly the attention of media and have become a source of public concern. From a financial viewpoint, natural catastrophes represent idiosyncratic risks, diversifiable at the world level. But for reasons analyzed in this paper reinsurance markets are unable to cope with this risk completely. Insurance-linked securities, such as cat bonds, have been issued to complete the international risk transfer process, but their development is disappointing so far. This pa...

  12. Performance and heat release analysis of a pilot-ignited natural gas engine

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, S.R.; Biruduganti, M.; Mo, Y.; Bell, S.R.; Midkiff, K.C. [Alabama Univ., Dept. of Mechanical Engineering, Tuscaloosa, AL (United States)

    2002-09-01

    The influence of engine operating variables on the performance, emissions and heat release in a compression ignition engine operating in normal diesel and dual-fuel modes (with natural gas fuelling) was investigated. Substantial reductions in NO{sub x} emissions were obtained with dual-fuel engine operation. There was a corresponding increase in unburned hydrocarbon emissions as the substitution of natural gas was increased. Brake specific energy consumption decreased with natural gas substitution at high loads but increased at low loads. Experimental results at fixed pilot injection timing have also established the importance of intake manifold pressure and temperature in improving dual-fuel performance and emissions at part load. (Author)

  13. French radioactive wastes performance assessment and the natural analogues approach: an overview

    International Nuclear Information System (INIS)

    Escalier des Orres, P.

    1988-10-01

    One of the main difficulties linked to the Radioactive Waste Performance Assessment calculations lies in the scale of time and space underlying these calculations: mechanisms and parameters can directly be affected by time or space dependency. The ''natural analogues'' approach has evident advantages, at least qualitative, to enlighten these aspects. It may also provide confidence in our ability to model partial or overall natural systems. The following paper gives the headlines of the use of the ''natural analogues'' methodology in the French Radioactive Wastes Performance Assessment in the field of waste disposal

  14. Profit, productivity, and price differential: an international performance comparison of the natural gas transportation industry

    International Nuclear Information System (INIS)

    Jeong-Dong Lee; Sung-Bae Park; Tai-Yoo Kim

    1999-01-01

    The objective of this paper is to evaluate the performance of natural gas transportation utilities, focusing on the three-key strategic performance measures of profit, productivity, and price differential. We propose a methodology that expresses the three performance measures in a unified single equation using the Edgeworth index. The proposed methodology is applied to an international comparison of the performance of 28 natural gas transportation utilities operating in eight countries in which the business environments differ greatly. The empirical results show the possible causes of performance differences and may shed some light on the direction of regulatory policy, especially for developing countries that have relatively short histories in the natural gas industry, such as Korea. (author)

  15. Probabilistic analysis of the influence of the bonding degree of the stem-cement interface in the performance of cemented hip prostheses.

    Science.gov (United States)

    Pérez, M A; Grasa, J; García-Aznar, J M; Bea, J A; Doblaré, M

    2006-01-01

    The long-term behavior of the stem-cement interface is one of the most frequent topics of discussion in the design of cemented total hip replacements, especially with regards to the process of damage accumulation in the cement layer. This effect is analyzed here comparing two different situations of the interface: completely bonded and debonded with friction. This comparative analysis is performed using a probabilistic computational approach that considers the variability and uncertainty of determinant factors that directly compromise the damage accumulation in the cement mantle. This stochastic technique is based on the combination of probabilistic finite elements (PFEM) and a cumulative damage approach known as B-model. Three random variables were considered: muscle and joint contact forces at the hip (both for walking and stair climbing), cement damage and fatigue properties of the cement. The results predicted that the regions with higher failure probability in the bulk cement are completely different depending on the stem-cement interface characteristics. In a bonded interface, critical sites appeared at the distal and medial parts of the cement, while for debonded interfaces, the critical regions were found distally and proximally. In bonded interfaces, the failure probability was higher than in debonded ones. The same conclusion may be established for stair climbing in comparison with walking activity.

  16. Studies of natural analogues and geological systems. Their importance to performance assessment

    International Nuclear Information System (INIS)

    Brandberg, F.; Grundfelt, B.; Hoeglund, L.O.; Skagius, K.; Karlsson, Fred; Smellie, J.

    1992-04-01

    This review has involved studies of natural analogues and natural geological systems leading to the identification and quantification of processes and features of importance to the performance and safety of repositories for radioactive waste. The features and processes selected for the study comprise general geochemical issues related to the performance of the near- and of the far-field, the performance and durability of construction materials and the effects of glaciation. For each of these areas a number of potentially important processes for repository performance have been described, and evidence for their existence, as well as quantification of parameters of models describing the processes, have been sought from major natural analogue studies and site investigations. The review has aimed at covering a relatively broad range of issues at the expense of in-depth analysis. The quantitative data presented are in most cases compilations of data from the literature; in a few cases results of evaluations made within the current project are included. The results of the study show that studies of natural analogues and natural geological systems have provided significant information regarding many issues of importance to repository performance. In several cases the evidence from natural analogues has demonstrated that processes assumed to take place in repositories actually occur in natural systems or under conditions similar to those predicted to prevail in a future repository. One example of such a process is coprecipitation of fission products and ferric oxyhydroxides as an analogue to corrosion products from a steel canister. In addition, the study of concentration gradients of uranium and other trace substances in the rock surrounding groundwater conduits confirm that matrix diffusion occurs in nature and that the diffusivities in the rock matrix measured in the laboratory are consistent with the observations in nature

  17. Performance and Economics of Catalytic Glow Plugs and Shields in Direct Injection Natural Gas Engines for the Next Generation Natural Gas Vehicle Program: Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Mello, J. P.; Bezaire, D.; Sriramulu, S.; Weber, R.

    2003-08-01

    Subcontractor report details work done by TIAX and Westport to test and perform cost analysis for catalytic glow plugs and shields for direct-injection natural gas engines for the Next Generation Natural Gas Vehicle Program.

  18. Hydrogen bonding in ionic liquids.

    Science.gov (United States)

    Hunt, Patricia A; Ashworth, Claire R; Matthews, Richard P

    2015-03-07

    Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic and aprotic) are bifurcated and chelating, and unlike many molecular liquids a significant variety of distinct H-bonds are formed between different types and numbers of donor and acceptor sites within a given IL. Traditional more neutral H-bonds can also be formed in functionalised ILs, adding a further level of complexity. Ab initio computed parameters; association energies, partial charges, density descriptors as encompassed by the QTAIM methodology (ρBCP), qualitative molecular orbital theory and NBO analysis provide established and robust mechanisms for understanding and interpreting traditional neutral and ionic H-bonds. In this review the applicability and extension of these parameters to describe and quantify the doubly ionic H-bond has been explored. Estimating the H-bonding energy is difficult because at a fundamental level the H-bond and ionic interaction are coupled. The NBO and QTAIM methodologies, unlike the total energy, are local descriptors and therefore can be used to directly compare neutral, ionic and doubly ionic H-bonds. The charged nature of the ions influences the ionic characteristics of the H-bond and vice versa, in addition the close association of the ions leads to enhanced orbital overlap and covalent contributions. The charge on the ions raises the energy of the Ylp and lowers the energy of the X-H σ* NBOs resulting in greater charge transfer, strengthening the H-bond. Using this range of parameters and comparing doubly ionic H-bonds to more traditional neutral and ionic H-bonds it is clear that doubly ionic H-bonds cover the full range of weak

  19. Performance of an integrated approach for prediction of bond dissociation enthalpies of phenols extracted from ginger and tea

    Science.gov (United States)

    Nam, Pham Cam; Chandra, Asit K.; Nguyen, Minh Tho

    2013-01-01

    Integration of the (RO)B3LYP/6-311++G(2df,2p) with the PM6 method into a two-layer ONIOM is found to produce reasonably accurate BDE(O-H)s of phenolic compounds. The chosen ONIOM model contains only two atoms of the breaking bond as the core zone and is able to provide reliable evaluation for BDE(O-H) for phenols and tocopherol. Deviation of calculated values from experiment is ±(1-2) kcal/mol. BDE(O-H) of several curcuminoids and flavanoids extracted from ginger and tea are computed using the proposed model. The BDE(O-H) values of enol curcumin and epigallocatechin gallate are predicted to be 83.3 ± 2.0 and 76.0 ± 2.0 kcal/mol, respectively.

  20. Voltage-assisted polymer wafer bonding

    International Nuclear Information System (INIS)

    Varsanik, J S; Bernstein, J J

    2012-01-01

    Polymer wafer bonding is a widely used process for fabrication of microfluidic devices. However, best practices for polymer bonds do not achieve sufficient bond strength for many applications. By applying a voltage to a polymer bond in a process called voltage-assisted bonding, bond strength is shown to improve dramatically for two polymers (Cytop™ and poly(methyl methacrylate)). Several experiments were performed to provide a starting point for further exploration of this technique. An optimal voltage range is experimentally observed with a reduction in bonding strength at higher voltages. Additionally, voltage-assisted bonding is shown to reduce void diameter due to bond defects. An electrostatic force model is proposed to explain the improved bond characteristics. This process can be used to improve bond strength for most polymers. (paper)

  1. Bonds Boom.

    Science.gov (United States)

    Reynolds, Cathryn

    1989-01-01

    The combined effect of the "Serrano" decision and Proposition 13 left California school districts with aging, overcrowded facilities. Chico schools won a $18.5 million general obligation bond election for facilities construction. With $11 billion needed for new school construction, California will need to tap local sources. A sidebar…

  2. Experiences with loss of natural circulation events, performed experiments, analysis, computations and development of operational documents

    International Nuclear Information System (INIS)

    Nagy, L.; Varju, A.; Nagy, S.

    1996-01-01

    The refuelling of the unit 4 was started on 18 June, 1988. At the time of the event the reactor was in cold shutdown state, with atmospheric pressure, the reactor head was removed. On June 30 the operational personnel performed a planned switch over of natural circulation from loops 4, 6 to loops 1, 3. In the meantime the effectiveness of the core cooling by natural circulation decreased sharply for about 3 hour-period. After switching over the natural circulation among the loops the operating personnel isolated the loops 4., 6. and started to drain them. Nitrogen used to drain the loops was unintentionally injected into the loops in operation and large amount of primary coolant was pushed out from the SG primary side to the reactor vessel. The operators tried to stop the disturbance of natural circulation by starting the booster pump of make-up system periodically to the working loops. During this injection the personnel performed venting few times to take away the gas-air mixture from the top of the SG primary headers. After all the restoration of the natural circulation was achieved by continuous venting the SG headers. During 1993 annual refuelling outage of Unit 2 at Paks NPP a deterioration of natural circulation in reactor coolant system occurred. A special maintenance task was being performed to repair the cladding of the sealing bellows between the reactor vessel and reactor cavity

  3. Characterization and Performance Testing of Natural Gas Compressors for Residential and Commercial Applications

    Science.gov (United States)

    Zhang, Xinye; Groll, Eckhard A.; Bethel, Dylan

    2017-08-01

    Relatively little information is available in the literature with respect to the performance of compressors used during the dynamic charging process of a tank. Therefore, work presented in this paper shows the measurement results of performance testing of a natural gas compressor and analyses the compressor characterization based on the experimental data. Initial tests were conducted using air and carbon dioxide given the thermodynamic similarities between these fluids and natural gas. Finally, a new test stand was specifically designed and built for compressor dynamic testing using pipeline natural gas (NG) and the compressor reliability has been evaluated inside an explosion-proof engine test cell. Reliability tests at standard operating conditions monitored the performance consistency of the compressors over the testing period and the testing consisted of a series of tank charges aimed at evaluating the maximum operating temperature as well as the mass flow rate in the system.

  4. Implementing High-Performance Geometric Multigrid Solver with Naturally Grained Messages

    Energy Technology Data Exchange (ETDEWEB)

    Shan, H; Williams, S; Zheng, Y; Kamil, A; Yelick, K

    2015-10-26

    Structured-grid linear solvers often require manually packing and unpacking of communication data to achieve high performance.Orchestrating this process efficiently is challenging, labor-intensive, and potentially error-prone.In this paper, we explore an alternative approach that communicates the data with naturally grained messagesizes without manual packing and unpacking. This approach is the distributed analogue of shared-memory programming, taking advantage of the global addressspace in PGAS languages to provide substantial programming ease. However, its performance may suffer from the large number of small messages. We investigate theruntime support required in the UPC ++ library for this naturally grained version to close the performance gap between the two approaches and attain comparable performance at scale using the High-Performance Geometric Multgrid (HPGMG-FV) benchmark as a driver.

  5. Characterization of bonded stationary phase performance as a function of qualitative and quantitative chromatographic factors in chaotropic chromatography with risperidone and its impurities as model substances.

    Science.gov (United States)

    Čolović, Jelena; Rmandić, Milena; Malenović, Anđelija

    2018-05-17

    Numerous stationary phases have been developed with the aim to provide desired performances during chromatographic analysis of the basic solutes in their protonated form. In this work, the procedure for the characterization of bonded stationary phase performance, when both qualitative and quantitative chromatographic factors were varied in chaotropic chromatography, was proposed. Risperidone and its three impurities were selected as model substances, while acetonitrile content in the mobile phase (20-30%), the pH of the aqueous phase (3.00-5.00), the content of chaotropic agents in the aqueous phase (10-100 mM), type of chaotropic agent (NaClO 4 , CF 3 COONa), and stationary phase type (Zorbax Eclipse XDB, Zorbax Extend) were studied as chromatographic factors. The proposed procedure implies the combination of D-optimal experimental design, indirect modeling, and polynomial-modified Gaussian model, while grid point search method was selected for the final choice of the experimental conditions which lead to the best possible stationary phase performance for basic solutes. Good agreement between experimentally obtained chromatogram and simulated chromatogram for chosen experimental conditions (25% acetonitrile, 75 mM of NaClO 4 , pH 4.00 on Zorbax Eclipse XDB column) confirmed the applicability of the proposed procedure. The additional point was selected for the verification of proposed procedure ability to distinguish changes in solutes' elution order. Simulated chromatogram for 21.5% acetonitrile, 85 mM of NaClO 4 , pH 5.00 on Zorbax Eclipse XDB column was in line with experimental data. Furthermore, the values of left and right peak half-widths obtained from indirect modeling were used in order to evaluate performances of differently modified stationary phases applying a half-width plots approach. The results from half-width plot approach as well as from the proposed procedure indicate higher efficiency and better separation performance of the stationary phase

  6. Diffusion bonding

    International Nuclear Information System (INIS)

    Anderson, R.C.

    1976-01-01

    A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions

  7. Processing bulk natural wood into a high-performance structural material

    Science.gov (United States)

    Song, Jianwei; Chen, Chaoji; Zhu, Shuze; Zhu, Mingwei; Dai, Jiaqi; Ray, Upamanyu; Li, Yiju; Kuang, Yudi; Li, Yongfeng; Quispe, Nelson; Yao, Yonggang; Gong, Amy; Leiste, Ulrich H.; Bruck, Hugh A.; Zhu, J. Y.; Vellore, Azhar; Li, Heng; Minus, Marilyn L.; Jia, Zheng; Martini, Ashlie; Li, Teng; Hu, Liangbing

    2018-02-01

    Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites). Natural wood is a low-cost and abundant material and has been used for millennia as a structural material for building and furniture construction. However, the mechanical performance of natural wood (its strength and toughness) is unsatisfactory for many advanced engineering structures and applications. Pre-treatment with steam, heat, ammonia or cold rolling followed by densification has led to the enhanced mechanical performance of natural wood. However, the existing methods result in incomplete densification and lack dimensional stability, particularly in response to humid environments, and wood treated in these ways can expand and weaken. Here we report a simple and effective strategy to transform bulk natural wood directly into a high-performance structural material with a more than tenfold increase in strength, toughness and ballistic resistance and with greater dimensional stability. Our two-step process involves the partial removal of lignin and hemicellulose from the natural wood via a boiling process in an aqueous mixture of NaOH and Na2SO3 followed by hot-pressing, leading to the total collapse of cell walls and the complete densification of the natural wood with highly aligned cellulose nanofibres. This strategy is shown to be universally effective for various species of wood. Our processed wood has a specific strength higher than that of most structural metals and alloys, making it a low-cost, high-performance, lightweight alternative.

  8. Acylhydrazone bond dynamic covalent polymer gel monolithic column online coupling to high-performance liquid chromatography for analysis of sulfonamides and fluorescent whitening agents in food.

    Science.gov (United States)

    Zhang, Chengjiang; Luo, Xialin; Wei, Tianfu; Hu, Yufei; Li, Gongke; Zhang, Zhuomin

    2017-10-13

    A new dynamic covalent polymer (DCP) gel was well designed and constructed based on imine chemistry. Polycondensation of 4,4'-biphenyldicarboxaldehyde and 1,3,5-benzenetricarbohydrazide via Schiff-base reaction resulted in an acylhydrazone bond gel (AB-gel) DCP. AB-gel DCP had three-dimensional network of interconnected nanoparticles with hierarchically porous structure. AB-gel DCP was successfully fabricated as a monolithic column by an in-situ chemical bonding method for online enrichment and separation purpose with excellent permeability. AB-gel DCP based monolithic column showed remarkable adsorption affinity towards target analytes including sulfonamides (SAs) and fluorescent whitening agents (FWAs) due to its strong π-π affinity, hydrophobic effect and hydrogen bonding interaction. Then, AB-gel DCP based monolithic column was applied for online separation and analysis of trace SAs and FWAs in food samples coupled with high-performance liquid chromatography (HPLC). Sulfathiazole (ST) and sulfadimidine (SM2) in one positive weever sample were actually found and determined with concentrations of 273.8 and 286.3μg/kg, respectively. 2,5-Bis(5-tert-butyl-2-benzoxazolyl) thiophene (FWA184) was actually quantified in one tea infusion sample with the concentration of 268.5ng/L. The spiked experiments suggested the good recoveries in range of 74.5-110% for SAs in weever and shrimp samples with relative standard deviations (RSDs) less than 9.7% and in range of 74.0-113% for FWAs in milk and tea infusion samples with RSDs less than 9.0%. AB-gel DCP monolithic column was proved to be a promising sample preparation medium for online separation and analysis of trace analytes in food samples with complex matrices. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. The Effects of Void on Natural Ventilation Performance in Multi-Storey Housing

    Directory of Open Access Journals (Sweden)

    Fakhriah Muhsin

    2016-08-01

    Full Text Available Enhancing natural ventilation performance in multi-storey housing is very important for the living environment in terms of health and thermal comfort purposes. One of the most important design strategies to enhance natural ventilation in multi-storey housing is through the provision of voids. A void is a passive architectural feature, which is located in the middle of deep plan buildings. It is very crucial to consider the configurations of voids in the buildings for enhancing natural ventilation, especially for multi-storey housing. In this study, Malaysian Medium Cost Multi-Storey Housing (MMCMSH, which is an example of multi-storey housing located in a suburban area, has been selected in this study. This study aims to investigate the potential of void for enhancing natural ventilation performance in multi-storey housing by the comparison of two different void configurations. Field measurement of MMCMSH has been conducted to validate Computational Fluid Dynamic (CFD model and Atmospheric Boundary Layer (ABL is an important parameter for setting up the CFD Model’s domain. Ventilation rate (Q, which is necessary for comfort and health reasons, is an important parameter for the comparison of the different void configurations. This study revealed that the provision of void can enhance natural ventilation performance in multi-storey housing with an increase in the value of Q, from 3.44% to 40.07%, by enlarging the void’s width by 50% compared to the existing void.

  10. Humans make efficient use of natural image statistics when performing spatial interpolation.

    Science.gov (United States)

    D'Antona, Anthony D; Perry, Jeffrey S; Geisler, Wilson S

    2013-12-16

    Visual systems learn through evolution and experience over the lifespan to exploit the statistical structure of natural images when performing visual tasks. Understanding which aspects of this statistical structure are incorporated into the human nervous system is a fundamental goal in vision science. To address this goal, we measured human ability to estimate the intensity of missing image pixels in natural images. Human estimation accuracy is compared with various simple heuristics (e.g., local mean) and with optimal observers that have nearly complete knowledge of the local statistical structure of natural images. Human estimates are more accurate than those of simple heuristics, and they match the performance of an optimal observer that knows the local statistical structure of relative intensities (contrasts). This optimal observer predicts the detailed pattern of human estimation errors and hence the results place strong constraints on the underlying neural mechanisms. However, humans do not reach the performance of an optimal observer that knows the local statistical structure of the absolute intensities, which reflect both local relative intensities and local mean intensity. As predicted from a statistical analysis of natural images, human estimation accuracy is negligibly improved by expanding the context from a local patch to the whole image. Our results demonstrate that the human visual system exploits efficiently the statistical structure of natural images.

  11. Determination of the conformation of 2-hydroxy- and 2-aminobenzoic acid dimers using 13C NMR and density functional theory/natural bond order analysis: the central importance of the carboxylic acid carbon.

    Science.gov (United States)

    Burnette, Ronald R; Weinhold, Frank

    2006-07-20

    The 13C chemical shift for the carboxylic acid carbon provides a powerful diagnostic probe to determine the preferred isomeric dimer structures of benzoic acid derivatives undergoing intra- and intermolecular H-bonding in the gas, solution and crystalline phases. We have employed hybrid density functional calculations and natural bond orbital analysis to elucidate the electronic origins of the observed 13C shieldings and their relationship to isomeric stability. We find that delocalizing interactions from the carbonyl oxygen lone pairs (nO) into vicinal carbon-oxygen and carbon-carbon antibonds (sigmaCO*,sigmaCC*) make critical contributions to the 13C shieldings, and these nO --> sigmaCO*, nO --> sigmaCC* interactions are in turn sensitive to the intramolecular interactions that dictate dimer structure and stability. The carboxyl carbon atom can thus serve as a useful detector of subtle structural and conformational features in this pharmacologically important class of carboxylic acid interactions.

  12. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.

    Science.gov (United States)

    Park, Sungnam; Odelius, Michael; Gaffney, Kelly J

    2009-06-04

    The structural and dynamical properties of aqueous ionic solutions influence a wide range of natural and biological processes. In these solutions, water has the opportunity to form hydrogen bonds with other water molecules and anions. Knowing the time scale with which these configurations interconvert represents a key factor to understanding the influence of molecular scale heterogeneity on chemical events in aqueous ionic solutions. We have used ultrafast IR spectroscopy and Car-Parrinello molecular dynamics (CPMD) simulations to investigate the hydrogen bond (H-bond) structural dynamics in aqueous 6 M sodium perchlorate (NaClO4) solution. We have measured the H-bond exchange dynamics between spectrally distinct water-water and water-anion H-bond configurations with 2DIR spectroscopy and the orientational relaxation dynamics of water molecules in different H-bond configurations with polarization-selective IR pump-probe experiments. The experimental H-bond exchange time correlates strongly with the experimental orientational relaxation time of water molecules. This agrees with prior observations in water and aqueous halide solutions, and has been interpreted within the context of an orientational jump model for the H-bond exchange. The CPMD simulations performed on aqueous 6 M NaClO4 solution clearly demonstrate that water molecules organize into two radially and angularly distinct structural subshells within the first solvation shell of the perchlorate anion, with one subshell possessing the majority of the water molecules that donate H-bonds to perchlorate anions and the other subshell possessing predominantly water molecules that donate two H-bonds to other water molecules. Due to the high ionic concentration used in the simulations, essentially all water molecules reside in the first ionic solvation shells. The CPMD simulations also demonstrate that the molecular exchange between these two structurally distinct subshells proceeds more slowly than the H-bond

  13. Student Application for Special Consideration for Examination Performance Following a Natural Disaster

    Science.gov (United States)

    Collings, David; Garrill, Ashley; Johnston, Lucy

    2018-01-01

    Universities have a long-established tradition of granting students special consideration when circumstances beyond their control negatively affect performance in assessments. Typically, such situations affect only one student (e.g. medical emergencies) but we consider the impact of a natural disaster that led to all students being eligible for…

  14. Processing bulk natural wood into a high-performance structural material

    Science.gov (United States)

    Jianwei Song; Chaoji Chen; Shuze Zhu; Mingwei Zhu; Jiaqi Dai; Upamanyu Ray; Yiju Li; Yudi Kuang; Yongfeng Li; Nelson Quispe; Yonggang Yao; Amy Gong; Ulrich H. Leiste; Hugh A. Bruck; J. Y. Zhu; Azhar Vellore; Heng Li; Marilyn L. Minus; Zheng Jia; Ashlie Martini; Teng Li; Liangbing Hu

    2018-01-01

    Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites)1–8. Natural wood is a low-cost and abundant material and has been used...

  15. Dietary integration with natural extract in rabbit: effects on growth performances and meat quality.

    Directory of Open Access Journals (Sweden)

    Sara Chiapparini

    2018-06-01

    Full Text Available In many countries of Europe rabbit meat is consumed for its nutritional characteristics, (Dalle Zotte, 2014; Hernández and Gondret, 2006. Since the ban of the use of antibiotic as growth promoter, natural substances have been studied as alternative with antioxidant, anti-inflammatory, antimicrobic and antiviral properties. The aim was to evaluate the effect of a dietary supplementation with natural extract mixture in growing rabbit on growth performances, carcass characteristics and Longissimus lumborum (LL muscle parameters. The trial was performed at the Research Institute for Animal Production (Nitra, Slovak Republic and lasted 42 days. At 35 days of age, 144 New Zealand White rabbits were randomly selected and divided in 3 experimental groups (4 rabbits/cage. The first fed a basal diet, the second (T1 and the third one (T2 received 0.3% and 0.6% of natural extract mixture, containing polyphenols from plants and seaweeds.  Dietary integration with natural extract improve (P<0.05 growth performances (ADG, FI and FC in T1 group. The fatty acid composition of LL muscle was positively affected (P=0.037 by natural extract supplementation with an increase of n-3 FA in T2 group than other treatments. Cholesterol content tended to be lower in T2 group (P=0.082 than T1 and C group (24.8 mg/100g T2 vs 34.6 mg/100g T1 vs 33.2 mg/100g C. Sensory analysis revealed that only the aroma was affected (P<0.05 by dietary treatments. Overall these results highlight that dietary supplementation with natural extract mixture, containing polyphenols from plants and seaweeds enhance growth performances, carcass weight, improving LL muscle nutritional parameters.

  16. Characteristics Buton Natural Asphalt-Rubber (BNA-R on the Performance Improvement of Warm Mix Asphalt Using Natural Zeolite

    Directory of Open Access Journals (Sweden)

    Wahjuningsih Nurul

    2018-01-01

    Full Text Available The decrease in the ability of service of pavement can be caused by the durability factor in the pavement layer in receiving heavy traffic load and the temperature of the pavement. Permanent deformation is one of the criteria of failure of asphalt mixture. Performance assessment of the asphalt mixture can be observed from the rheological properties of asphalt binder. The use of BNA-R in this study is intended to modify the characteristics of bitumen penetration grade 60 / 70 used in warm mix asphalt. Warm mix asphalt with lower temperatures of mixing and compaction than conventional asphalt mixtures was chosen because it is more environmentally friendly. To reduce the temperature in this warm asphalt technology is achieved by using natural zeolite. Both of these materials are local materials that are widely available in Indonesia. The rheology of asphalt 60/70 modified with BNA-R indicates that the addition of BNA-R in the base asphalt increase the complex modulus value and decrease the phase angle value. These values were related to the performance of mixture in the permanent deformation criteria. Reducing the temperature of mixing and compaction should be balanced with modifying the asphalt binder used. Rutting due to permanent deformation can resulted in inconvenience to the passengers and can lead to high costs of road maintenance. To determine the permanent deformation of asphalt mix with material combinations was performed through the wheel tracking test machine with 3,780 cycles for 3 hours. The results shows that after test track over 7 thousand passes have seen permanent deformation characteristics of asphalt concrete mixture with a variation of the characteristics of bitumen.

  17. Characteristics Buton Natural Asphalt-Rubber (BNA-R) on the Performance Improvement of Warm Mix Asphalt Using Natural Zeolite

    Science.gov (United States)

    Wahjuningsih, Nurul; Pranowo Hadiwardoyo, Sigit; Jachrizal Sumabrata, R.

    2018-03-01

    The decrease in the ability of service of pavement can be caused by the durability factor in the pavement layer in receiving heavy traffic load and the temperature of the pavement. Permanent deformation is one of the criteria of failure of asphalt mixture. Performance assessment of the asphalt mixture can be observed from the rheological properties of asphalt binder. The use of BNA-R in this study is intended to modify the characteristics of bitumen penetration grade 60 / 70 used in warm mix asphalt. Warm mix asphalt with lower temperatures of mixing and compaction than conventional asphalt mixtures was chosen because it is more environmentally friendly. To reduce the temperature in this warm asphalt technology is achieved by using natural zeolite. Both of these materials are local materials that are widely available in Indonesia. The rheology of asphalt 60/70 modified with BNA-R indicates that the addition of BNA-R in the base asphalt increase the complex modulus value and decrease the phase angle value. These values were related to the performance of mixture in the permanent deformation criteria. Reducing the temperature of mixing and compaction should be balanced with modifying the asphalt binder used. Rutting due to permanent deformation can resulted in inconvenience to the passengers and can lead to high costs of road maintenance. To determine the permanent deformation of asphalt mix with material combinations was performed through the wheel tracking test machine with 3,780 cycles for 3 hours. The results shows that after test track over 7 thousand passes have seen permanent deformation characteristics of asphalt concrete mixture with a variation of the characteristics of bitumen.

  18. Hydrogen bonded supramolecular materials

    CERN Document Server

    Li, Zhan-Ting

    2015-01-01

    This book is an up-to-date text covering topics in utilizing hydrogen bonding for constructing functional architectures and supramolecular materials. The first chapter addresses the control of photo-induced electron and energy transfer. The second chapter summarizes the formation of nano-porous materials. The following two chapters introduce self-assembled gels, many of which exhibit unique functions. Other chapters cover the advances in supramolecular liquid crystals and the versatility of hydrogen bonding in tuning/improving the properties and performance of materials. This book is designed

  19. Continuing bonds and place.

    Science.gov (United States)

    Jonsson, Annika; Walter, Tony

    2017-08-01

    Where do people feel closest to those they have lost? This article explores how continuing bonds with a deceased person can be rooted in a particular place or places. Some conceptual resources are sketched, namely continuing bonds, place attachment, ancestral places, home, reminder theory, and loss of place. The authors use these concepts to analyze interview material with seven Swedes and five Britons who often thought warmly of the deceased as residing in a particular place and often performing characteristic actions. The destruction of such a place, by contrast, could create a troubling, haunting absence, complicating the deceased's absent-presence.

  20. Water contents of samples from the Nevada Test Site: total, free (natural state to 1050C), and more tightly bonded (105 to 7000C)

    International Nuclear Information System (INIS)

    Pawloski, G.A.

    1981-05-01

    To help confirm correct functioning of an epithermal neutron sonde, we measured tightly bonded water content of selected Nevada Test Site (NTS) drill holes. Tuff and alluvium samples were dried overnight at 105 0 C. The samples were then heated for 45 min in a split tube furnace at 700 0 C. The water that came off due to this heating was collected and the amount recorded. The error in this procedure is +- 0.59 wt %. Total water can be calculated for samples from analyses of free and tightly bonded water contents. The maximum error in this calculation is equivalent to the error in determining the more tightly bonded water. Average total water content values have been assigned to geologic units. These values, in weight fraction, are alluvium 0.14 +- .05 and tuff 0.19 +- .04. Further division of the tuff gives values of Rainier Mesa 0.15 +- .01, Paintbrush 0.18 +- .03, Tunnel Beds 0.20 +- .04, and Grouse Canyon 0.29 +- .02. Statistically significant differences occur between the tuff and alluvium. Within the tuffs, these differences also occur between Grouse Canyon, Rainier Mesa, and Paintbrush/Tunnel Beds. Paintbrush and Tunnel Beds cannot be distinguished by this method

  1. Fusion-bonded fluidic interconnects

    NARCIS (Netherlands)

    Fazal, I.; Elwenspoek, Michael Curt

    2008-01-01

    A new approach to realize fluidic interconnects based on the fusion bonding of glass tubes with silicon is presented. Fusion bond strength analyses have been carried out. Experiments with plain silicon wafers and coated with silicon oxide and silicon nitride are performed. The obtained results are

  2. Seismic performance evaluation of high natural frequency mechanical structure from the viewpoint of energy balance

    International Nuclear Information System (INIS)

    Minagawa, Keisuke; Fujita, Satoshi; Endo, Rokuro; Amemiya, Mitsuhiko

    2009-01-01

    In this study, vibration characteristics of mechanical structure having high natural frequency are investigated from the viewpoint of energy balance. Mechanical structures having high natural frequency in a nuclear power plant are generally designed statically and elastically. However it has been reported that fracture of ordinary piping is produced not by momentary large load but by cumulative fatigue damage. Therefore it is very important to grasp seismic performance dynamically by considering cyclic load. This paper deals with an investigation regarding seismic performance evaluation of high natural frequency mechanical structure. The energy balance equation that is one of valid methods for structural calculation is applied through the investigation. The main feature of the energy balance equation is that it explains accumulated information of motion. Therefore the energy balance equation is adequate for the investigation of the influence of cumulative load such as seismic response. In this paper, vibration experiment and simulation using sinusoidal waves and artificial seismic waves were examined in order to investigate relationship between natural frequency of structure and energy. As a result, we found that input energy decreases with an increase in the natural frequency. (author)

  3. Sibling bereavement and continuing bonds.

    Science.gov (United States)

    Packman, Wendy; Horsley, Heidi; Davies, Betty; Kramer, Robin

    2006-11-01

    Historically, from a Freudian and medical model perspective, emotional disengagement from the deceased was seen as essential to the successful adaptation of bereavement. A major shift in the bereavement literature has occurred and it is now generally accepted that despite the permanence of physical separation, the bereaved remains involved and connected to the deceased and can be emotionally sustained through continuing bonds. The majority of literature has focused on adults and on the nature of continuing bonds following the death of a spouse. In this article, the authors demonstrate how the continuing bonds concept applies to the sibling relationship. We describe the unique continued relationship formed by bereaved children and adolescents following a sibling loss, highlight the factors that influence the siblings continuing bonds expressions, and offer clinical interventions. In our view, mental health professionals can play an important role in helping parents encourage activities that may facilitate the creation and maintenance of continuing bonds in their children.

  4. Characterization of natural organic colorants in historical and art objects by high-performance liquid chromatography.

    Science.gov (United States)

    Pauk, Volodymyr; Barták, Petr; Lemr, Karel

    2014-12-01

    High-performance liquid chromatography plays an important role in analysis of historical organic colorants. A number of papers have been published in this field over the last 30 years. Classification of the most commonly used natural dyes and an overview of high-performance liquid chromatography methods with main focus on recent works (2008 to the beginning of 2014) are provided. The review deals with an entire analytical protocol covering sample preparation, chromatographic separation, and suitable detection (UV/visible and fluorescent spectroscopy and mass spectrometric techniques). High-performance liquid chromatography has been successfully used in the complete characterization of some organic dyestuffs present in historical and art objects. The possibilities and difficulties for identification of natural sources of historical colorants are also discussed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Natural stimuli improve auditory BCIs with respect to ergonomics and performance

    Science.gov (United States)

    Höhne, Johannes; Krenzlin, Konrad; Dähne, Sven; Tangermann, Michael

    2012-08-01

    Moving from well-controlled, brisk artificial stimuli to natural and less-controlled stimuli seems counter-intuitive for event-related potential (ERP) studies. As natural stimuli typically contain a richer internal structure, they might introduce higher levels of variance and jitter in the ERP responses. Both characteristics are unfavorable for a good single-trial classification of ERPs in the context of a multi-class brain-computer interface (BCI) system, where the class-discriminant information between target stimuli and non-target stimuli must be maximized. For the application in an auditory BCI system, however, the transition from simple artificial tones to natural syllables can be useful despite the variance introduced. In the presented study, healthy users (N = 9) participated in an offline auditory nine-class BCI experiment with artificial and natural stimuli. It is shown that the use of syllables as natural stimuli does not only improve the users’ ergonomic ratings; also the classification performance is increased. Moreover, natural stimuli obtain a better balance in multi-class decisions, such that the number of systematic confusions between the nine classes is reduced. Hopefully, our findings may contribute to make auditory BCI paradigms more user friendly and applicable for patients.

  6. Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors.

    Science.gov (United States)

    Su, Pin-Chih; Johnson, Michael E

    2016-04-05

    Thermodynamic integration (TI) can provide accurate binding free energy insights in a lead optimization program, but its high computational expense has limited its usage. In the effort of developing an efficient and accurate TI protocol for FabI inhibitors lead optimization program, we carefully compared TI with different Amber molecular dynamics (MD) engines (sander and pmemd), MD simulation lengths, the number of intermediate states and transformation steps, and the Lennard-Jones and Coulomb Softcore potentials parameters in the one-step TI, using eleven benzimidazole inhibitors in complex with Francisella tularensis enoyl acyl reductase (FtFabI). To our knowledge, this is the first study to extensively test the new AMBER MD engine, pmemd, on TI and compare the parameters of the Softcore potentials in the one-step TI in a protein-ligand binding system. The best performing model, the one-step pmemd TI, using 6 intermediate states and 1 ns MD simulations, provides better agreement with experimental results (RMSD = 0.52 kcal/mol) than the best performing implicit solvent method, QM/MM-GBSA from our previous study (RMSD = 3.00 kcal/mol), while maintaining similar efficiency. Briefly, we show the optimized TI protocol to be highly accurate and affordable for the FtFabI system. This approach can be implemented in a larger scale benzimidazole scaffold lead optimization against FtFabI. Lastly, the TI results here also provide structure-activity relationship insights, and suggest the parahalogen in benzimidazole compounds might form a weak halogen bond with FabI, which is a well-known halogen bond favoring enzyme. © 2015 Wiley Periodicals, Inc.

  7. natural

    Directory of Open Access Journals (Sweden)

    Elías Gómez Macías

    2006-01-01

    Full Text Available Partiendo de óxido de magnesio comercial se preparó una suspensión acuosa, la cual se secó y calcinó para conferirle estabilidad térmica. El material, tanto fresco como usado, se caracterizó mediante DRX, área superficial BET y SEM-EPMA. El catalizador mostró una matriz de MgO tipo periclasa con CaO en la superficie. Las pruebas de actividad catalítica se efectuaron en lecho fijo empacado con partículas obtenidas mediante prensado, trituración y clasificación del material. El flujo de reactivos consistió en mezclas gas natural-aire por debajo del límite inferior de inflamabilidad. Para diferentes flujos y temperaturas de entrada de la mezcla reactiva, se midieron las concentraciones de CH4, CO2 y CO en los gases de combustión con un analizador de gases tipo infrarrojo no dispersivo (NDIR. Para alcanzar conversión total de metano se requirió aumentar la temperatura de entrada al lecho a medida que se incrementó el flujo de gases reaccionantes. Los resultados obtenidos permiten desarrollar un sistema de combustión catalítica de bajo costo con un material térmicamente estable, que promueva la alta eficiencia en la combustión de gas natural y elimine los problemas de estabilidad, seguridad y de impacto ambiental negativo inherentes a los procesos de combustión térmica convencional.

  8. Trends in high performance compressors for petrochemical and natural gas industry in China

    Science.gov (United States)

    Zhao, Yuanyang; Li, Liansheng

    2015-08-01

    Compressors are the key equipment in the petrochemical and natural gas industry system. The performance and reliability of them are very important for the process system. The application status of petrochemical & natural gas compressors in China is presented in this paper. The present status of design and operating technologies of compressors in China are mentioned in this paper. The turbo, reciprocating and twin screw compressors are discussed. The market demands for different structure compressors in process gas industries are analysed. This paper also introduces the research and developments for high performance compressors in China. The recent research results on efficiency improvement methods, stability improvement, online monitor and fault diagnosis will also be presented in details.

  9. Characterization of Hydrogen Bonds by IR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Vojta, D.

    2012-05-01

    Full Text Available In the identification and quantification of hydrogen bond, as one of the most abundant non-covalent interactions in phenomena like self-assembly and molecular recognition, IR spectrosopy has been employed as the most sensitive method. The performance of the high dilution method enables determination of the stability constant of hydrogen-bonded complex as one of the most important thermodynamic quantities used in their characterization. However, the alleged experimental simplicity of the mentioned method is loaded with errors originating not only from researcher intervention but also independent from it. The second source of error is particularly emphasized and elaborated in this paper, which is designed as the recipe for the successful characterization of hydrogen bonds. Besides the enumeration of all steps in the determination of hydrogen-bonded stability constants, the reader can be acquainted with the most important ex perimental conditions that should be fulfilled in order to minimize the naturally occurring errors in this type of investigation. In the spectral analysis, the application of both uni- and multivariate approach has been discussed. Some computer packages, considering the latter, are mentioned, described, and recommended. KUI -10/2012Received August 1, 2011Accepted October 24, 2011

  10. Performance of an Otto cycle motor with natural gas direct injection; Desempenho de um motor ciclo Otto com injecao direta de gas natural

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Cleiton Rubens Formiga

    1997-07-01

    A Otto cycle engine with natural gas direct injection, during the inlet stroke, was submitted to runs with full power in a Foucaut dynamometer. The results obtained show a increase in the volumetric efficiency of the engine with natural gas direct injection when compared with natural gas injection applied in the inlet manifold, upstream of the throttle butterfly. In the conversion to natural gas direct injection, the technical characteristics were not changed. A kit for natural gas direct injection, with electronic management was located on the cylinder head of the test engine. Maintaining the pressure constant in the natural gas fuel line, using a reduction valve, the mass of fuel injected into the cylinder was regulated, varying the opening time of the solenoid valve fuel injector. Engine performance data is compared, emphasizing the factors that contribute to this increase in relative volumetric efficiency. Modifications are made to maximize the power of the engine with natural gas direct injection. (author)

  11. Experimental studies on the nature of bonding of DNA/bipyridyl-(ethylenediamine)platinum(II) and DNA/netropsin complexes in solution and oriented wet-spun films

    Science.gov (United States)

    Marlowe, R. L.; Szabo, A.; Lee, S. A.; Rupprecht, A.

    2002-03-01

    The stability of complexes of NaDNA with bipyridyl-(ethylenediamine)platinum(II) (abbreviated [(bipy)Pt(en)]) and with netropsin has been studied using two techniques: (i) ultraviolet melting experiments were done on NaDNA/[(bipy)Pt(en)], showing that the [(bipy)Pt(en)] ligand stabilizes the DNA double helix structure; and (ii) swelling measurements (via optical microscopy) as a function of relative humidity were done on wet-spun oriented films of NaDNA/[(bipy)Pt(en)] and of NaDNA/netropsin. The swelling data shows that an irreversible transition of the films occurs at high relative humidity, first for the NaDNA/netropsin, then for pure NaDNA, and lastly for the NaDNA/[(bipy)Pt(en)]. These results are indicative that the [(bipy)Pt(en)] complex stabilizes the intermolecular bonds which mediate the film swelling characteristics. A model is suggested for the binding of [(bipy)Pt(en)] to DNA to explain why the swelling experiments show this ligand as increasing the intermolecular bond strength between the DNA double helices, while netropsin decreases this degree of stabilization.

  12. Thermal performance of a porus radial fin with natural convection and radiative heat losses

    Directory of Open Access Journals (Sweden)

    Darvishi M.T.

    2015-01-01

    Full Text Available An analytic (series solution is developed to describe the thermal performance of a porous radial fin with natural convection in the fluid saturating the fin and radiation heat loss from the top and bottom surfaces of the fin. The HAM results for the temperature distribution and base heat flux are compared with the direct numerical results and found to be very accurate.

  13. Performance Recovery of Natural Draft Dry Cooling Systems by Combined Air Leading Strategies

    Directory of Open Access Journals (Sweden)

    Weijia Wang

    2017-12-01

    Full Text Available The cooling efficiency of natural draft dry cooling system (NDDCS are vulnerable to ambient winds, so the implementation of measures against the wind effects is of great importance. This work presents the combined air leading strategies to recover the flow and heat transfer performances of NDDCS. Following the energy balance among the exhaust steam, circulating water, and cooling air, numerical models of natural draft dry cooling systems with the combined air leading strategies are developed. The cooling air streamlines, volume effectiveness, thermal efficiency and outlet water temperature for each cooling delta of the large-scale heat exchanger are obtained. The overall volume effectiveness, average outlet water temperature of NDDCS and steam turbine back pressure are calculated. The results show that with the air leading strategies inside or outside the dry-cooling tower, the thermo-flow performances of natural draft dry cooling system are improved under all wind conditions. The combined inner and outer air leading strategies are superior to other single strategy in the performance recovery, thus can be recommended for NDDCS in power generating units.

  14. Photosynthetic performance of restored and natural mangroves under different environmental constraints

    International Nuclear Information System (INIS)

    Rovai, André Scarlate; Barufi, José Bonomi; Pagliosa, Paulo Roberto; Scherner, Fernando; Torres, Moacir Aluísio; Horta, Paulo Antunes

    2013-01-01

    We hypothesized that the photosynthetic performance of mangrove stands restored by the single planting of mangroves species would be lowered due to residual stressors. The photosynthetic parameters of the vegetation of three planted mangrove stands, each with a different disturbance history, were compared to reference sites and correlated with edaphic environmental variables. A permutational analysis of variance showed significant interaction when the factors were compared, indicating that the photosynthetic parameters of the restoration areas differed from the reference sites. A univariate analysis of variance showed that all the photosynthetic parameters differed between sites and treatments, except for photosynthetic efficiency (α ETR ). The combination of environmental variables that best explained the variations observed in the photosynthetic performance indicators were Cu, Pb and elevation disruptions. Fluorescence techniques proved efficient in revealing important physiological differences, representing a powerful tool for rapid analysis of the effectiveness of initiatives aimed at restoring coastal environments. -- Highlights: •Photosynthetic efficiency of natural and restored mangroves are compared. •Natural stands present higher photosynthetic performance. •Photosynthetic performance of mangroves is reduced due to Cu and Pb contamination. •Chlorophyll a fluorescence is a useful indicator to assess short-term restoration. -- Photosynthetic performance of mangroves is reduced due to Cu and Pb contamination

  15. Photosynthetic performance of restored and natural mangroves under different environmental constraints

    Energy Technology Data Exchange (ETDEWEB)

    Rovai, André Scarlate, E-mail: rovaias@hotmail.com [Universidade Federal de Santa Catarina, Departamento de Ecologia e Zoologia, Campus Universitário, Trindade, 88040-900 Florianópolis, SC (Brazil); Barufi, José Bonomi, E-mail: jose.bonomi@gmail.com [Universidade Federal de Santa Catarina, Departamento de Botânica, Campus Universitário, Trindade, 88040-900 Florianópolis, SC (Brazil); Pagliosa, Paulo Roberto, E-mail: paulo.pagliosa@ufsc.br [Universidade Federal de Santa Catarina, Departamento de Geociências, Campus Universitário, Trindade, 88040-900 Florianópolis, SC (Brazil); Scherner, Fernando [Universidade Federal Rural de Pernambuco, Laboratório de Ficologia, Campus Universitário, Dois Irmãos, 52171-900 Recife, PE (Brazil); Torres, Moacir Aluísio, E-mail: moatorres@cav.udesc.br [Universidade do Estado de Santa Catarina, Departamento de Engenharia Ambiental, Centro de Ciências Agroveterinárias, Av Luiz de Camões 2090, Conta Dinheiro, 88520-000 Lages, SC (Brazil); Horta, Paulo Antunes, E-mail: pahorta@ccb.ufsc.br [Universidade Federal de Santa Catarina, Departamento de Botânica, Campus Universitário, Trindade, 88040-900 Florianópolis, SC (Brazil); others, and

    2013-10-15

    We hypothesized that the photosynthetic performance of mangrove stands restored by the single planting of mangroves species would be lowered due to residual stressors. The photosynthetic parameters of the vegetation of three planted mangrove stands, each with a different disturbance history, were compared to reference sites and correlated with edaphic environmental variables. A permutational analysis of variance showed significant interaction when the factors were compared, indicating that the photosynthetic parameters of the restoration areas differed from the reference sites. A univariate analysis of variance showed that all the photosynthetic parameters differed between sites and treatments, except for photosynthetic efficiency (α{sub ETR}). The combination of environmental variables that best explained the variations observed in the photosynthetic performance indicators were Cu, Pb and elevation disruptions. Fluorescence techniques proved efficient in revealing important physiological differences, representing a powerful tool for rapid analysis of the effectiveness of initiatives aimed at restoring coastal environments. -- Highlights: •Photosynthetic efficiency of natural and restored mangroves are compared. •Natural stands present higher photosynthetic performance. •Photosynthetic performance of mangroves is reduced due to Cu and Pb contamination. •Chlorophyll a fluorescence is a useful indicator to assess short-term restoration. -- Photosynthetic performance of mangroves is reduced due to Cu and Pb contamination.

  16. 77 FR 29472 - Surety Companies Acceptable on Federal Bonds-Termination: Atlantic Bonding Company, Inc.

    Science.gov (United States)

    2012-05-17

    ... be accepted from this company, and bonds that are continuous in nature should not be renewed. The... DEPARTMENT OF THE TREASURY Fiscal Service Surety Companies Acceptable on Federal Bonds--Termination: Atlantic Bonding Company, Inc. AGENCY: Financial Management Service, Fiscal Service, Department...

  17. Electronic bond tuning with heterocyclic carbenes

    KAUST Repository

    Falivene, Laura

    2013-01-01

    We discuss the impact of the nature of the heterocyclic carbene ring, when used as a complex forming ligand, on the relative stability of key intermediates in three typical Ru, Pd and Au promoted reactions. Results show that P-heterocyclic carbenes have a propensity to increase the bonding of the labile ligand and of the substrate in Ru-promoted olefin metathesis, whereas negligible impact is expected on the stability of the ruthenacycle intermediate. In the case of Pd cross-coupling reactions, dissociation of a P-heterocyclic carbene is easier than dissociation of the N-heterocyclic analogue. In the case of the Au-OH synthon, the Au-OH bond is weakened with the P-heterocyclic carbene ligands. A detailed energy decomposition analysis is performed to rationalize these results. © 2013 The Royal Society of Chemistry.

  18. Predicting Bond Betas using Macro-Finance Variables

    DEFF Research Database (Denmark)

    Aslanidis, Nektarios; Christiansen, Charlotte; Cipollini, Andrea

    We conduct in-sample and out-of-sample forecasting using the new approach of combining explanatory variables through complete subset regressions (CSR). We predict bond CAPM betas and bond returns conditioning on various macro-fi…nance variables. We explore differences across long-term government ...... bonds, investment grade corporate bonds, and high-yield corporate bonds. The CSR method performs well in predicting bond betas, especially in-sample, and, mainly high-yield bond betas when the focus is out-of-sample. Bond returns are less predictable than bond betas....

  19. Application of metal foam heat exchangers for a high-performance liquefied natural gas regasification system

    International Nuclear Information System (INIS)

    Kim, Dae Yeon; Sung, Tae Hong; Kim, Kyung Chun

    2016-01-01

    The intermediate fluid vaporizer has wide applications in the regasification of LNG (liquefied natural gas). The heat exchanger performance is one of the main contributors to the thermodynamic and cost effectiveness of the entire LNG regasification system. Within the paper, the authors discuss a new concept for a compact heat exchanger with a micro-cellular structure medium to minimize volume and mass and to increase thermal efficiency. Numerical calculations have been conducted to design a metal-foam filled plate heat exchanger and a shell-and-tube heat exchanger using published experimental correlations. The geometry of both heat exchangers was optimized using the conditions of thermolators in LNG regasification systems. The heat transfer and pressure drop performance was predicted to compare the heat exchangers. The results show that the metal-foam plate heat exchanger has the best performance at different channel heights and mass flow rates of fluid. In the optimized configurations, the metal-foam plate heat exchanger has a higher heat transfer rate and lower pressure drop than the shell-and-tube heat exchanger as the mass flow rate of natural gas is increased. - Highlights: • A metal foam heat exchanger is proposed for LNG regasification system. • Comparison was made with a shell and tube heat exchanger. • Heat transfer and pressure drop characteristics were estimated. • The geometry of both heat exchangers is optimized for thermolators. • It can be used as a compact and high performance thermolators.

  20. Genes, environment and sport performance: why the nature-nurture dualism is no longer relevant.

    Science.gov (United States)

    Davids, Keith; Baker, Joseph

    2007-01-01

    The historical debate on the relative influences of genes (i.e. nature) and environment (i.e. nurture) on human behaviour has been characterised by extreme positions leading to reductionist and polemic conclusions. Our analysis of research on sport and exercise behaviours shows that currently there is little support for either biologically or environmentally deterministic perspectives on elite athletic performance. In sports medicine, recent molecular biological advances in genomic studies have been over-interpreted, leading to a questionable 'single-gene-as-magic-bullet' philosophy adopted by some practitioners. Similarly, although extensive involvement in training and practice is needed at elite levels, it has become apparent that the acquisition of expertise is not merely about amassing a requisite number of practice hours. Although an interactionist perspective has been mooted over the years, a powerful explanatory framework has been lacking. In this article, we propose how the complementary nature of degenerate neurobiological systems might provide the theoretical basis for explaining the interactive influence of genetic and environmental constraints on elite athletic performance. We argue that, due to inherent human degeneracy, there are many different trajectories to achieving elite athletic performance. While the greatest training responses may be theoretically associated with the most favourable genotypes being exposed to highly specialised training environments, this is a rare and complex outcome. The concept of degeneracy provides us with a basis for understanding why each of the major interacting constraints might act in a compensatory manner on the acquisition of elite athletic performance.

  1. Low temperature anodic bonding to silicon nitride

    DEFF Research Database (Denmark)

    Weichel, Steen; Reus, Roger De; Bouaidat, Salim

    2000-01-01

    Low-temperature anodic bonding to stoichiometric silicon nitride surfaces has been performed in the temperature range from 3508C to 4008C. It is shown that the bonding is improved considerably if the nitride surfaces are either oxidized or exposed to an oxygen plasma prior to the bonding. Both bu...

  2. Performance of the natural cooler to keep the freshness of vegetables and fruits in Medan City

    Science.gov (United States)

    Sitorus, T. B.; Ambarita, H.; Ariani, F.; Sitepu, T.

    2018-02-01

    One application in a direct evaporative cooling system was a natural cooler. The advantages of this system were not using the electrical energy and so far also environmentally. This research aims to obtain a performance analysis of the natural cooler as a store for vegetables and fruits in Medan city. The materials for natural cooler consists of teak wood and gunny. This study makes experiments during seven days in the open air. The parameter measurement on the weather was using HOBO devices and to record the temperature changes for vegetables or even fruits is using its acquisition data. The results showed that the maximum efficiency of the natural cooler could be obtained for 43.79% in the average air temperature of 30.51°C, the air humidity average is 85.12% with average solar radiation of 183.98 W/m2. Experimental data were showing that the condition of freshness on vegetables or even on fruits was heavily influenced by weather conditions.

  3. Towards Enhancement of Performance of K-Means Clustering Using Nature-Inspired Optimization Algorithms

    Directory of Open Access Journals (Sweden)

    Simon Fong

    2014-01-01

    Full Text Available Traditional K-means clustering algorithms have the drawback of getting stuck at local optima that depend on the random values of initial centroids. Optimization algorithms have their advantages in guiding iterative computation to search for global optima while avoiding local optima. The algorithms help speed up the clustering process by converging into a global optimum early with multiple search agents in action. Inspired by nature, some contemporary optimization algorithms which include Ant, Bat, Cuckoo, Firefly, and Wolf search algorithms mimic the swarming behavior allowing them to cooperatively steer towards an optimal objective within a reasonable time. It is known that these so-called nature-inspired optimization algorithms have their own characteristics as well as pros and cons in different applications. When these algorithms are combined with K-means clustering mechanism for the sake of enhancing its clustering quality by avoiding local optima and finding global optima, the new hybrids are anticipated to produce unprecedented performance. In this paper, we report the results of our evaluation experiments on the integration of nature-inspired optimization methods into K-means algorithms. In addition to the standard evaluation metrics in evaluating clustering quality, the extended K-means algorithms that are empowered by nature-inspired optimization methods are applied on image segmentation as a case study of application scenario.

  4. Towards enhancement of performance of K-means clustering using nature-inspired optimization algorithms.

    Science.gov (United States)

    Fong, Simon; Deb, Suash; Yang, Xin-She; Zhuang, Yan

    2014-01-01

    Traditional K-means clustering algorithms have the drawback of getting stuck at local optima that depend on the random values of initial centroids. Optimization algorithms have their advantages in guiding iterative computation to search for global optima while avoiding local optima. The algorithms help speed up the clustering process by converging into a global optimum early with multiple search agents in action. Inspired by nature, some contemporary optimization algorithms which include Ant, Bat, Cuckoo, Firefly, and Wolf search algorithms mimic the swarming behavior allowing them to cooperatively steer towards an optimal objective within a reasonable time. It is known that these so-called nature-inspired optimization algorithms have their own characteristics as well as pros and cons in different applications. When these algorithms are combined with K-means clustering mechanism for the sake of enhancing its clustering quality by avoiding local optima and finding global optima, the new hybrids are anticipated to produce unprecedented performance. In this paper, we report the results of our evaluation experiments on the integration of nature-inspired optimization methods into K-means algorithms. In addition to the standard evaluation metrics in evaluating clustering quality, the extended K-means algorithms that are empowered by nature-inspired optimization methods are applied on image segmentation as a case study of application scenario.

  5. Towards Enhancement of Performance of K-Means Clustering Using Nature-Inspired Optimization Algorithms

    Science.gov (United States)

    Deb, Suash; Yang, Xin-She

    2014-01-01

    Traditional K-means clustering algorithms have the drawback of getting stuck at local optima that depend on the random values of initial centroids. Optimization algorithms have their advantages in guiding iterative computation to search for global optima while avoiding local optima. The algorithms help speed up the clustering process by converging into a global optimum early with multiple search agents in action. Inspired by nature, some contemporary optimization algorithms which include Ant, Bat, Cuckoo, Firefly, and Wolf search algorithms mimic the swarming behavior allowing them to cooperatively steer towards an optimal objective within a reasonable time. It is known that these so-called nature-inspired optimization algorithms have their own characteristics as well as pros and cons in different applications. When these algorithms are combined with K-means clustering mechanism for the sake of enhancing its clustering quality by avoiding local optima and finding global optima, the new hybrids are anticipated to produce unprecedented performance. In this paper, we report the results of our evaluation experiments on the integration of nature-inspired optimization methods into K-means algorithms. In addition to the standard evaluation metrics in evaluating clustering quality, the extended K-means algorithms that are empowered by nature-inspired optimization methods are applied on image segmentation as a case study of application scenario. PMID:25202730

  6. Role of natural analogs in performance assessment of nuclear waste repositories

    International Nuclear Information System (INIS)

    Sagar, B.; Wittmeyer, G.W.

    1995-01-01

    Mathematical models of the flow of water and transport of radionuclides in porous media will be used to assess the ability of deep geologic repositories to safely contain nuclear waste. These models must, in some sense, be validated to ensure that they adequately describe the physical processes occurring within the repository and its geologic setting. Inasmuch as the spatial and temporal scales over which these models must be applied in performance assessment are very large, validation of these models against laboratory and small-scale field experiments may be considered inadequate. Natural analogs may provide validation data that are representative of physico-chemical processes that occur over spatial and temporal scales as large or larger than those relevant to repository design. The authors discuss the manner in which natural analog data may be used to increase confidence in performance assessment models and conclude that, while these data may be suitable for testing the basic laws governing flow and transport, there is insufficient control of boundary and initial conditions and forcing functions to permit quantitative validation of complex, spatially distributed flow and transport models. The authors also express their opinion that, for collecting adequate data from natural analogs, resources will have to be devoted to them that are much larger than are devoted to them at present

  7. Fusion-bonded fluidic interconnects

    International Nuclear Information System (INIS)

    Fazal, I; Elwenspoek, M C

    2008-01-01

    A new approach to realize fluidic interconnects based on the fusion bonding of glass tubes with silicon is presented. Fusion bond strength analyses have been carried out. Experiments with plain silicon wafers and coated with silicon oxide and silicon nitride are performed. The obtained results are discussed in terms of the homogeneity and strength of fusion bond. High pressure testing shows that the bond strength is large enough for most applications of fluidic interconnects. The bond strength for 525 µm thick silicon, with glass tubes having an outer diameter of 6 mm and with a wall thickness of 2 mm, is more than 60 bars after annealing at a temperature of 800 °C

  8. The effect of cerium-based conversion treatment on the cathodic delamination and corrosion protection performance of carbon steel-fusion-bonded epoxy coating systems

    Energy Technology Data Exchange (ETDEWEB)

    Ramezanzadeh, B., E-mail: ramezanzadeh@aut.ac.ir [Department of Surface Coatings and Corrosion, Institute for Color Science and Technology (ICST), 16765-654, Tehran (Iran, Islamic Republic of); Rostami, M. [Department of Nanomaterials and Nanocoatings, Institute for Color Science and Technology (ICST), 16765-654, Tehran (Iran, Islamic Republic of)

    2017-01-15

    Highlights: • Steel surface was treated by Ce and acid phosphoric solutions. • Ce treatment considerably enhanced the surface energy and produce nanoscale roughness. • Ce treated samples showed enhanced adhesion to FBE coating. • Ce treatment of steel significantly reduced the FBE cathodic delamination rate. • Ce treated sample showed enhanced corrosion resistance. - Abstract: The effect of surface pre-treatment of pipe surface by green cerium compound and phosphoric acid solution on the fusion-bonded epoxy (FBE) coating performance was studied. The composition and surface morphology of the steel samples treated by acid and Ce solutions were characterized by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM), equipped with energy dispersive spectroscopy (EDS). Also, the surface free energy was evaluated on these samples through contact angle measurements. In addition, the effect of Ce and acid washing procedures on the adhesion properties and corrosion protection performance of the FBE was examined by pull-off, salt spray and electrochemical impedance spectroscopy (EIS) tests. Results showed that compared to acid washing, the chemical treatment by Ce solution noticeably increased the surface free energy of steel, improved the adhesion properties of FBE, decreased the cathodic delamination rate of FBE, and enhanced the coating corrosion resistance compared to the acid washed samples.

  9. Performance and Exhaust Emissions in a Natural-Gas Fueled Dual-Fuel Engine

    Science.gov (United States)

    Shioji, Masahiro; Ishiyama, Takuji; Ikegami, Makoto; Mitani, Shinichi; Shibata, Hiroaki

    In order to establish the optimum fueling in a natural gas fueled dual fuel engine, experiments were done for some operational parameters on the engine performances and the exhaust emissions. The results show that the pilot fuel quantity should be increased and its injection timing should be advanced to suppress unburned hydrocarbon emission in the middle and low output range, while the quantity should be reduced and the timing retarded to avoid onset of knock at high loads. Unburned hydrocarbon emission and thermal efficiency are improved by avoiding too lean natural gas mixture by restricting intake charge air. However, the improvement is limited because the ignition of pilot fuel deteriorates with excessive throttling. It is concluded that an adequate combination of throttle control and equivalence ratio ensures low hydrocarbon emission and the thermal efficiency comparable to diesel operation.

  10. Design and performance assessment of radioactive waste forms: what can we learn from natural analogues

    International Nuclear Information System (INIS)

    Petit, J.C.

    1991-01-01

    In this review, we specify the role of natural analogues for the development of solid radioactive waste-forms. Numerous works have been carried out on the major matrices proposed or actually in use for both high-level (glasses, spent fuel, ceramics) and low- or intermediate-level wastes (cement-based materials, bitumens, resins) as well as for metallic containers. We show that some natural, historical or archaeological materials can be considered as good analogues. We suggest that their use has been quite limited in the past for the design of matrices but that both qualitative and quantitative information of great interest (and in some cases unique) have been already inferred for assessing their long-term performance. 14 figs., 1 tab., 72 refs

  11. Relativistic Effects on Metal-Metal Bonding. Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2-)

    Czech Academy of Sciences Publication Activity Database

    Ponec, Robert; Bučinský, L.; Gatti, C.

    2010-01-01

    Roč. 6, č. 10 (2010), s. 3113-3121 ISSN 1549-9618 R&D Projects: GA ČR GA203/09/0118 Grant - others:VEGA(SK) 1/0817/08; VEGA(SK) 1/0127/09; APVV(SK) 0093-07 Institutional research plan: CEZ:AV0Z40720504 Keywords : relativistic effects * metal-metal bonding Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.138, year: 2010

  12. Bond strength of masonry

    NARCIS (Netherlands)

    Pluijm, van der R.; Vermeltfoort, A.Th.

    1992-01-01

    Bond strength is not a well defined property of masonry. Normally three types of bond strength can be distinguished: - tensile bond strength, - shear (and torsional) bond strength, - flexural bond strength. In this contribution the behaviour and strength of masonry in deformation controlled uniaxial

  13. Fertilization and oversowing on natural grassland: effects on pasture characteristics and yearling steers performance

    Directory of Open Access Journals (Sweden)

    Eduardo Tonet Ferreira

    2011-09-01

    Full Text Available The objective of this study was to evaluate the vegetal and animal production of a natural pasture on a Mollisol soil in the region of Campanha, in RS. The experimental design consisted of complete randomized blocks with three replicates, which enables the comparison between natural unfertilized pastures with fertilized pastures and pastures fertilized and overseeded with Lolium multiflorum, Lotus corniculatus cv. São Gabriel and Trifolium repens cv. Lucero (NPO. Data were submitted to the analyses of variance considering seasons of the year as time repeated measurements. Aberddeen Angus calves of about nine months of age were used in continuous stocking with variable stocking rate in order to maintain forage offer at 13% of live weight. Data were collected between July 7th (2007 and May 3rd (2008, totaling 302 days. Fertilized and oversown pastures showed higher green forage mass mainly in the spring, as result of higher dry matter (DM accumulation rate. Average daily live-weight gain for fertilized pasture (0.581 kg/day was higher than for natural pasture (0.473 kg/day. Higher live-weight gains were obtained in the fall (0.869 kg/day. Stocking rate showed interaction with the seasons of the year, with higher stocking rates obtained in oversown pasture (701 kg of LW/ha and fertilized pasture (667 kg of LW/ha during the spring. Live-weight gain per hectare from natural pasture (224 kg LW/ha was lower than on fertilized (310 kg LW/ha and over-sown pasture (287 kg LW/ha. Forage mass, dry matter content, forage allowance and pasture height explained 61% of the average live weight gain. Despite the good performance of native grasslands in this region in its natural condition, the utilization of different inputs as fertilization and oversowing of winter cultivated species promoted positive differences in forage production and its distribution along the year and in animal yield.

  14. Structure phenomena in the bond zone of explosively bonded plates

    International Nuclear Information System (INIS)

    Livne, Z.

    1979-12-01

    In the bond areas of couples of explosively bonded plates, there are often zones, generally designated as ''molten pockets'', which have undergone melting and solidification. The object of the present study was to investigate molten pockets, which have a decisive effect on bond quality. The experimental samples for the study were chosen in consideration of the mutual behaviour of the plates constituting the couples, according to their equilibrium phase diagrams. To facilitate the investigation, large plates were bonded under conditions that enabled to to obtain wavy bond zones that included relatively large molten pockets. To clarify the complex nature of molten pockets and their surroundings, a wide variety of methods were employed. It was found that the shape and composition of molten pockets largely depend upon the mechanism of formation of both the bond wave and the molten pockets. It was also found that the composition of molten pockets is not homogeneous, which is manifest in the modification of the composition of the pockets, the solidification morphology, the phases, which have been identified by X-ray diffraction, and the bond strenght and hardness. Moreover, the different solidification morphologies revealed by metallography were found to depend upon the types of plates bonded, the bonding conditions and the location of pockets in the wavy interface. For molten pockets, cooling rates of 10 4 to 10 5 (degC/sec) have been deduced from interdendritic spacing, and found to be in good agreement with calculations after a mathematical model. It seems that the fast cooling rates and the steep temperature gradients are at the origin of the particular solidification phenomena observed in molten pockets

  15. Thermal characteristics and performance of Ag-water nanofluid: Application to natural circulation loops

    International Nuclear Information System (INIS)

    Koca, Halil Dogacan; Doganay, Serkan; Turgut, Alpaslan

    2017-01-01

    Highlights: • Thermal conductivity and viscosity of Ag-water nanofluid were measured. • Thermal performance of Ag-water nanofluid was compared with water. • Effectiveness enhanced up to 11% with 1 wt% Ag-water nanofluid. • Effectiveness of Ag-water nanofluid samples increased with inclination angle. • Ag-water nanofluid has potential to be used in flat-plate solar collectors. - Abstract: The goal of this study is to investigate the thermal conductivity, viscosity and thermal performance in a single-phase natural circulation mini loop of Ag-water nanofluid which can be a potential working fluid for natural convective flat-plate solar collectors. The silver-water nanofluid with 5 wt% concentration, which contains also polyvinylpyrrolidone (PVP) with 1.25 wt%, was purchased. Then, the sample was diluted with de-ionized water to four different concentrations of 0.25, 0.5, 0.75 and 1 wt%. Thermal conductivity and viscosity were measured by 3ω method and Brookfield rheometer, respectively. An effectiveness factor was used to define the thermal performance of Ag-water nanofluids for different inclination angles and heating powers. The results showed that nanofluid samples are thermally less conductive than the literature, at ambient temperature (23 °C). The viscosity of nanofluid decreases significantly with increasing temperature and increases with increasing concentration. Our measurements appear to be more compatible with PVP solution results available in the literature. Effectiveness is enhanced up to 11% with 1 wt% concentrated nanofluid compared to de-ionized water and the effectiveness of the mini loop indicates an enhancement with increase in inclination angle and particle concentration at whole applied power. According to obtained results, it is concluded that Ag-water nanofluid has a promising potential to be used in natural convective flat-plate solar collector.

  16. Financial Performance of Mixed-Age Naturally Regenerated Loblolly-Hardwood Stands in the South Central United States

    Science.gov (United States)

    Ronald Raunikar; Joseph Buongiorno; Jeffrey P. Prestemon; Karen Lee Abt

    2000-01-01

    To estimate the financial performance of a natural mixed species and mixed-age management in the loblolly-pine forest type, we examined 991 FIA plots in the south central states. The plots were of the loblolly pine forest type, mixed-age, and had been regenerated naturally. We gauged the financial performance of each plot from the equivalent annual income (EAI)...

  17. Influence of Natural Zeolite on Performance of Laying Hens and Egg Quality

    OpenAIRE

    ÖZTÜRK, Ergin; ERENER, Güray; SARICA, Musa

    2014-01-01

    This experiment was conducted to study the effects of natural zeolite on the performance of laying hens. One hundred and eighty 37-week-old Babcock B-300 hens were fed with a diet containing 0, 20, 40, 60 and 80 g clinoptilolite/kg in an experiment consisting of 36 hens per treatment during a 4x28 days experimental period. All feeding programs were isocaloric and isonitrogenous. Hens were put at random into 5 treatment groups (12 replicates and 36 hens per treatment). No significant dietar...

  18. The Effects of Natural Zeolit Supplemented into Litter on Growth Performance and Welfare of Broilers

    OpenAIRE

    Erol BİNTAŞ; Kamil Küçükyılmaz; Mehmet Bozkurt; Abdullah Uğur Çatlı; Mustafa Çınar; Sabri Topbaş; Bahattin Koçer; Gökhan Ege

    2014-01-01

    The objective of this study was to assess the effect of clinoptiolite (a natural zeolite) in two addition level (3 kg or 6 kg) and two particle size (ranging from 0.1 to 0.2 mm or 0.5 to 1.0 mm) as litter supplement on the growth performance, litter dry matter, ammonium release and foot pad lesion score of broilers. One thousand and eight hundred, one-day-old chickens were divided into five treatment groups with six replicates of 60 chicks. Bird density was 15/ m2 in floor pens where pine sha...

  19. Performance enhancement of spherical natural graphite by phenol resin in lithium ion batteries

    International Nuclear Information System (INIS)

    Wu, Y.-S.; Wang, Y.-H.; Lee, Y.-H.

    2006-01-01

    The capacity of natural graphite in the lithium ion battery anode decays seriously. The phenol resin is used as a reaction material to modify the electrochemical performance of spherical graphite as the anode material in lithium ion batteries. Measuring the reversible capacity indicates change in the surface structure of spherical graphite. A dense layer of methyl groups was thus formed. Some structural imperfections are removed and the stability of the graphite structure is increased. Clearly, reducing the irreversible capacity is beneficial in controlling the uniformity of the spherical graphite surface structure

  20. Design and measured performance of a solar chimney for natural-circulation solar-energy dryers

    International Nuclear Information System (INIS)

    Ekechukwu, O.V.; Norton, B.

    1995-10-01

    The design and construction of a solar chimney which was undertaken as part of a study on natural-circulation solar-energy dryers is reported. The experimental solar chimney consists of a 5.3m high and 1.64m diameter cylindrical polyethylene-clad vertical chamber, supported structurally by steel framework and draped internally with a selectively-absorbing surface. The performance of the chimney which was monitored extensively with and without the selective surface in place (to study the effectiveness of this design option) is also reported. (author). 14 refs, 7 figs

  1. Sexual ornaments, body morphology, and swimming performance in naturally hybridizing swordtails (teleostei: xiphophorus.

    Directory of Open Access Journals (Sweden)

    James B Johnson

    Full Text Available Determining the costs of sexual ornaments is complicated by the fact that ornaments are often integrated with other, non-sexual traits, making it difficult to dissect the effect of ornaments independent of other aspects of the phenotype. Hybridization can produce reduced phenotypic integration, allowing one to evaluate performance across a broad range of multivariate trait values. Here we assess the relationship between morphology and performance in the swordtails Xiphophorus malinche and X. birchmanni, two naturally-hybridizing fish species that differ extensively in non-sexual as well as sexual traits. We took advantage of novel trait variation in hybrids to determine if sexual ornaments incur a cost in terms of locomotor ability. For both fast-start and endurance swimming, hybrids performed at least as well as the two parental species. The sexually-dimorphic sword did not impair swimming performance per se. Rather, the sword negatively affected performance only when paired with a sub-optimal body shape. Studies seeking to quantify the costs of ornaments should consider that covariance with non-sexual traits may create the spurious appearance of costs.

  2. Nature Versus Nurture: Have Performance Gaps Between Men and Women Reached an Asymptote?

    Science.gov (United States)

    Millard-Stafford, Mindy; Swanson, Ann E; Wittbrodt, Matthew T

    2018-05-14

    Men outperform women in sports requiring muscular strength and/or endurance, but the relative influence of "nurture" versus "nature" remains difficult to quantify. Performance gaps between elite men and women are well documented using world records in second, centimeter, or kilogram sports. However, this approach is biased by global disparity in reward structures and opportunities for women. Despite policies enhancing female participation (Title IX legislation), US women only closed performance gaps by 2% and 5% in Olympic Trial swimming and running, respectively, from 1972 to 1980 (with no change thereafter through 2016). Performance gaps of 13% in elite middistance running and 8% in swimming (∼4-min duration) remain, the 5% differential between sports indicative of load carriage disadvantages of higher female body fatness in running. Conversely, sprint swimming exhibits a greater sex difference than sprint running, suggesting anthropometric/power advantages unique to swim-block starts. The ∼40-y plateau in the performance gap suggests a persistent dominance of biological influences (eg, longer limb levers, greater muscle mass, greater aerobic capacity, and lower fat mass) on performance. Current evidence suggests that women will not swim or run as fast as men in Olympic events, which speaks against eliminating sex segregation in these individual sports. Whether hormone reassignment sufficiently levels the playing field in Olympic sports for transgender females (born and socialized male) remains an issue to be tackled by sport-governing bodies.

  3. Energy performance of supermarket refrigeration and air conditioning integrated systems working with natural refrigerants

    International Nuclear Information System (INIS)

    Cecchinato, Luca; Corradi, Marco; Minetto, Silvia

    2012-01-01

    The current trends in commercial refrigeration aim at reducing the synthetic refrigerant charge, either by minimising the internal volume of the circuit or by utilising natural refrigerants, and at energy saving. The energy efficiency of supermarkets can be improved by optimising components design, recovering thermal and refrigerating energy, adopting innovative technology solutions, integrating the HVAC system with medium temperature and low temperature refrigeration plants and, finally, reducing thermal loads on refrigerated cases. This study aims at investigating the performance of different lay-out and technological solutions where only natural refrigerants are used and at finding the potential for improving energy efficiency over the traditional systems in different climates. In the analysis, chillers and heat pumps working with ammonia or propane, medium temperature systems working with ammonia or propane and carbon dioxide as heat transfer fluid or with carbon dioxide as the refrigerant and low temperature systems working with carbon dioxide are considered and benchmarked with a state-of-the-art HFCs based plant. The most efficient investigated solution enables an annual energy saving higher than 15% with respect to the baseline solution for all the considered climates. - Highlights: ► Different natural refrigerants supermarket HVAC and R integrated systems are analysed. ► Some of the proposed solutions offer a significant benefit over the baseline one. ► Up to 18.7% energy saving is achieved in the considered climates. ► The refrigeration unit condensation by the AC chiller offers the poorest results.

  4. Effects of CO 2 on a High Performance Hollow-Fiber Membrane for Natural Gas Purification

    KAUST Repository

    Omole, Imona C.

    2010-05-19

    A 6FDA-based, cross-linkable polyimide was characterized in the form of a defect-free asymmetric hollow-fiber membrane. The novel membrane was cross-linked at various temperatures and tested for natural gas purification in the presence of high CO2 partial pressures. The cross-linked membrane material shows high intrinsic separation performance for CO2 and CH4 (selectivity ∼49, CO2 permeability ∼161 barrer, with a feed at 65 psia, 35 °C, and 10% CO2). Cross-linked asymmetric hollow-fiber membranes made from the material show good resistance to CO2-induced plasticization. Carbon dioxide partial pressures as high as ∼400 psia were employed, and the membrane was shown to be promisingly stable under these aggressive conditions. The performance of the membrane was also analyzed using the dual-mode sorption/transport model. © 2010 American Chemical Society.

  5. Quantitative analysis for the determination of aluminum percentage and detonation performance of aluminized plastic bonded explosives by laser-induced breakdown spectroscopy

    Science.gov (United States)

    Rezaei, A. H.; Keshavarz, M. H.; Kavosh Tehrani, M.; Darbani, S. M. R.

    2018-06-01

    The aluminized plastic-bonded explosive (PBX) is a composite material in which solid explosive particles are dispersed in a polymer matrix, which includes three major components, i.e. polymeric binder, metal fuel (aluminum) and nitramine explosive. This work introduces a new method on the basis of the laser-induced breakdown spectroscopy (LIBS) technique in air and argon atmospheres to investigate the determination of aluminum content and detonation performance of aluminized PBXs. Plasma emissions of aluminized PBXs are recorded where atomic lines of Al, C and H as well as molecular bands of AlO and CN are identified. The experimental results demonstrate that a good discrimination and separation between the aluminized PBXs is possible using LIBS and principle component analysis, although they have similar atomic composition. Relative intensity of the AlO/Al is used to determine aluminum percentage of the aluminized PBXs. The obtained quantitative calibration curve using the relative intensity of the AlO/Al is better than the resulting calibration curve using only the intensity of Al. By using the LIBS method and the measured intensity ratio of CN/C, an Al content of 15% is found to be the optimum value in terms of velocity of detonation of the RDX/Al/HTPB standard samples.

  6. Formation of disulfide bonds and homodimers of the major cat allergen Fel d 1 equivalent to the natural allergen by expression in Escherichia coli.

    Science.gov (United States)

    Grönlund, Hans; Bergman, Tomas; Sandström, Kristofer; Alvelius, Gunvor; Reininger, Renate; Verdino, Petra; Hauswirth, Alexander; Liderot, Karin; Valent, Peter; Spitzauer, Susanne; Keller, Walter; Valenta, Rudolf; van Hage-Hamsten, Marianne

    2003-10-10

    Dander from the domestic cat (Felis domesticus) is one of the most common causes of IgE-mediated allergy. Attempts to produce tetrameric folded major allergen Fel d 1 by recombinant methods with structural features similar to the natural allergen have been only partially successful. In this study, a recombinant folded Fel d 1 with molecular and biological properties similar to the natural counterpart was produced. A synthetic gene coding for direct fusion of the Fel d 1 chain 2 N-terminally to chain 1 was constructed by overlapping oligonucleotides in PCR. Escherichia coli expression resulted in a non-covalently associated homodimer with an apparent molecular mass of 30 kDa defined by size exclusion chromatography. Furthermore, each 19,177-Da subunit displayed a disulfide pattern identical to that found in the natural Fel d 1, i.e. Cys3(1) Cys73(2), Cys44(1)-Cys48(2), Cys70(1)-Cys7(2), as determined by electrospray mass spectrometry after tryptic digestion. Circular dichroism analysis showed identical folds of natural and recombinant Fel d 1. Furthermore, recombinant Fel d l reacted specifically with serum IgE, inducing expression of CD203c on basophils and lymphoproliferative responses in cat-allergic patients. The results show that the overall fold and immunological properties of the recombinant Fel d 1 are very similar to those of natural Fel d 1. Moreover, the recombinant Fel d 1 construct provides a tool for defining the three-dimensional structure of Fel d 1 and represents a reagent for diagnosis and allergen-specific immunotherapy of cat allergy.

  7. Adhesives for orthodontic bracket bonding

    Directory of Open Access Journals (Sweden)

    Déborah Daniella Diniz Fonseca

    2010-04-01

    Full Text Available The advent of acid etching, introduced by Buonocore in 1955, brought the possibility of bonding between the bracket base and enamel, contributing to more esthetic and conservative orthodontics. This direct bracket bonding technique has brought benefits such as reduced cost and time in performing the treatment, as well as making it easier to perform oral hygiene. The aim of this study was to conduct a survey of published studies on orthodontic bracket bonding to dental enamel. It was verified that resin composites and glass ionomer are the most studied and researched materials for this purpose. Resin-modified glass ionomer, with its biocompatibility, capacity of releasing fluoride and no need for acid etching on the tooth structure, has become increasingly popular among dentists. However, due to the esthetic and mechanical properties of light polymerizable resin composite, it continues to be one of the adhesives of choice in the bracket bonding technique and its use is widely disseminated.

  8. The IAEA report on the role of natural analogues in performance assessment

    International Nuclear Information System (INIS)

    Vovk, I.F.

    1989-01-01

    A working draft of the report was prepared with the assistance of a group of consultants who met in Vienna from 29 June to 3 July 1987. The draft was revised by an Advisory Group meeting in Vienna from 2 to 6 November 1987 and examined by the Technical Review Committee on Underground Disposal of Radioactive Waste (TRCUD) convened in Vienna from 15 to 19 February 1988. TRCUD recommended it for publication as a Technical Reports Series. The document appraises the use of natural analogues in improving confidence in the soundness of performance assessments for deep underground disposal of long-lived wastes. For this purpose it reviews several available performance assessments and identifies on this basis factors, processes or parameters which are important to their results, assesses the requirements for validation in each area and identifies those areas where analogues are appropriate. A special section is devoted to discussion of the quantitative and qualitative roles of the analogues. A number of conclusions reflect the state-of-the-art and may guide further natural analogue studies

  9. Combination Carbon Nanotubes with Graphene Modified Natural Graphite and Its Electrochemical Performance

    Directory of Open Access Journals (Sweden)

    DENG Ling-feng

    2017-04-01

    Full Text Available The CNTs/rGO/NG composite lithiumion battery anode material was synthesized by thermal reducing, using graphene oxide (GO and carbon nanotubes (CNTs as precursors for a 5 ∶ 3 proportion. The morphology, structure, and electrochemical performance of the composite were characterized by scanning electron microscopy(SEM, X-ray diffractometry(XRD, Fourier transform infrared spectra (FTIR and electrochemical measurements. The results show that reduced graphene oxide and carbon nanotubes form a perfect three-dimensional network structure on the surface of natural graphite. CNTs/rGO/NG composite has good rate performance and cycle life,compared with pure natural graphite.The initial discharge capacity of designed anode is 479mAh/g at 0.1C, the reversible capacity up to 473mAh/g after 100 cycles,the capacity is still 439.5mAh/g, the capacity retention rate is 92%,and the capacity is 457, 433, 394mAh/g at 0.5, 1, 5C, respectively.

  10. Metrological and operational performance of measuring systems used in vehicle compressed natural gas filling stations

    Energy Technology Data Exchange (ETDEWEB)

    Velosa, Jhonn F.; Abril, Henry; Garcia, Luis E. [CDT de GAS (Venezuela). Gas Technological Development Center Corporation

    2008-07-01

    Corporation CDT GAS financially supported by the Colombian government through COLCIENCIAS, carried out a study aimed at designing, developing and implementing in Colombia a calibration and metrological verification 'specialized service' for gas meters installed at dispensers of filling stations using compressed natural gas. The results permitted the identification of improving opportunities (in measuring systems, equipment and devices used to deliver natural gas) which are focused on achieving the highest security and reliability of trading processes of CNG for vehicles. In the development of the first stage of the project, metrological type variables were initially considered, but given the importance of the measuring system and its interaction with the various elements involving gas supply to the filling station, the scope of the work done included aspects related to the operational performance, that is, those influencing the security of the users and the metrological performance of the measuring system. The development of the second stage counted on the collaboration of national companies from the sector of CNG for vehicles, which permitted the carrying out of multiple calibrations to the measuring systems installed in the CNG dispensers, thus achieving, in a concrete way, valid and reliable technological information of the implemented procedures. (author)

  11. Understanding Bonds - Denmark

    DEFF Research Database (Denmark)

    Rimmer, Nina Røhr

    2016-01-01

    Undervisningsmateriale. A bond is a debt security, similar to an ”I Owe You document” (IOU). When you purchase a bond, you are lending money to a government, municipality, corporation, federal agency or other entity known as the issuer. In return for the loan, the issuer promises to pay you...... a specified rate of interest during the life of the bond and to repay the face value of the bond (the principal) when it “matures,” or comes due. Among the types of bonds you can choose from are: Government securities, municipal bonds, corporate bonds, mortgage and asset-backed securities, federal agency...... securities and foreign government bonds....

  12. The nature of the U=C double bond: pushing the stability of high-oxidation-state uranium carbenes to the limit

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, Oliver J.; Mills, David P.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. [School of Chemistry, University of Nottingham (United Kingdom); Tuna, Floriana; McInnes, Eric J.L. [EPSRC National UK EPR Facility, School of Chemistry and Photon Science Institute, The University of Manchester (United Kingdom)

    2013-05-27

    Treatment of [K(BIPM{sup Mes}H)] (BIPM{sup Mes}={C(PPh_2NMes)_2}{sup 2-}; Mes=C{sub 6}H{sub 2}-2,4,6-Me{sub 3}) with [UCl{sub 4}(thf){sub 3}] (1 equiv) afforded [U(BIPM{sup Mes}H)(Cl){sub 3}(thf)] (1), which generated [U(BIPM{sup Mes})(Cl){sub 2}(thf){sub 2}] (2), following treatment with benzyl potassium. Attempts to oxidise 2 resulted in intractable mixtures, ligand scrambling to give [U(BIPM{sup Mes}){sub 2}] or the formation of [U(BIPM{sup Mes}H)(O){sub 2}(Cl)(thf)] (3). The complex [U(BIPM{sup Dipp})(μ-Cl){sub 4}(Li){sub 2}(OEt{sub 2})(tmeda)] (4) (BIPM{sup Dipp}={C(PPh_2NDipp)_2}{sup 2-}; Dipp=C{sub 6}H{sub 3}-2,6-iPr{sub 2}; tmeda=N,N,N',N'-tetramethylethylenediamine) was prepared from [Li{sub 2}(BIPM{sup Dipp})(tmeda)] and [UCl{sub 4}(thf){sub 3}] and, following reflux in toluene, could be isolated as [U(BIPM{sup Dipp})(Cl){sub 2}(thf){sub 2}] (5). Treatment of 4 with iodine (0.5 equiv) afforded [U(BIPM{sup Dipp})(Cl){sub 2}(μ-Cl){sub 2}(Li)(thf){sub 2}] (6). Complex 6 resists oxidation, and treating 4 or 5 with N-oxides gives [U(BIPM {sup Dipp}H)(O){sub 2}-(μ-Cl){sub 2}Li(tmeda)] (7) and [{U(BIPM"D"i"p"pH)(O)_2(μ-Cl)}{sub 2}] (8). Treatment of 4 with tBuOLi (3 equiv) and I{sub 2} (1 equiv) gives [U(BIPM{sup Dipp})(OtBu){sub 3}(I)] (9), which represents an exceptionally rare example of a crystallographically authenticated uranium(VI)-carbon σ bond. Although 9 appears sterically saturated, it decomposes over time to give [U(BIPM{sup Dipp})(OtBu){sub 3}]. Complex 4 reacts with PhCOtBu and Ph{sub 2}CO to form [U(BIPM{sup Dipp})(μ-Cl){sub 4}(Li){sub 2}(tmeda)(OCPhtBu)] (10) and [U(BIPM{sup Dipp})(Cl)(μ-Cl){sub 2}(Li)(tmeda)(OCPh{sub 2})] (11). In contrast, complex 5 does not react with PhCOtBu and Ph{sub 2}CO, which we attribute to steric blocking. However, complexes 5 and 6 react with PhCHO to afford (DippNPPh{sub 2}){sub 2}C=C(H)Ph (12). Complex 9 does not react with PhCOtBu, Ph{sub 2}CO or PhCHO; this is attributed to steric blocking

  13. Standard Test Method for Electrical Performance of Concentrator Terrestrial Photovoltaic Modules and Systems Under Natural Sunlight

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2009-01-01

    1.1 This test method covers the determination of the electrical performance of photovoltaic concentrator modules and systems under natural sunlight using a normal incidence pyrheliometer. 1.2 The test method is limited to module assemblies and systems where the geometric concentration ratio specified by the manufacturer is greater than 5. 1.3 This test method applies to concentrators that use passive cooling where the cell temperature is related to the air temperature. 1.4 Measurements under a variety of conditions are allowed; results are reported under a select set of concentrator reporting conditions to facilitate comparison of results. 1.5 This test method applies only to concentrator terrestrial modules and systems. 1.6 This test method assumes that the module or system electrical performance characteristics do not change during the period of test. 1.7 The performance rating determined by this test method applies only at the period of the test, and implies no past or future performance level. 1.8...

  14. CEGB research on the effects of fouling of plastic packings on natural draught cooling tower performance

    International Nuclear Information System (INIS)

    Winter, R.J.

    1989-01-01

    Plastic film packings were first used in CEGB natural draught cooling towers in 1985. Since then, cooling towers at seven power stations have been repacked using various commercial designs of plastic packing, with generally satisfactory results in economic terms. However, fouling of all the packings has occurred to some extent, ranging from very thin films on the surface of the sheets, which actually enhances performance, to heavy and voluminous formations which severely constrict the inter-sheet passages, causing performance loss and threatening the structural integrity of the whole fill. At CERL, methods have been developed to relate the degree of fouling to the thermal performance loss. This information is enabling accurate calculations to be made of the economics of repacking. Samples of fouled packing from operation towers are tested using the Experimental Cooling Tower at the Central Electricity Research Laboratories at Leatherhead. A systematic investigation is also underway of the changes in pressure drop and mass transfer coefficients which take place as fouling develops, using progressively-fouled packing samples from a purpose-built Packing Fouling Facility located at one of the power stations. The performance data obtained is fed-back into models by which the effect of high fouling loadings on various packings is calculated, enabling packing economic life to be predicted

  15. Effect of dietary natural extracts mixture on rabbit does reproductive performances: preliminary data.

    Directory of Open Access Journals (Sweden)

    Sara Chiapparini

    2017-05-01

    Full Text Available In the recent years, research has focused the attention on the use of substances able to improve both animal health and meat quality. The objective of this study was to investigate the effect of dietary supplementation with natural extracts in rabbit does on reproductive parameters. Natural extracts have been widely reported to have potent antioxidant, anti-inflammatory and antimicrobic activities related especially to their phenolic content (Pereira et al., 2009. In rabbit production, does are normally inseminated 11 days after parturition, with kits being weaned at 35 days (Rebollar et al., 2006. The reproductive phase is a critical period because the animals have few days to reconstitute their body reserves (Castellini et al., 2003.  Therefore, the interaction between nutrition and reproduction is crucial in this specie (Butler, 2000; Roche et al., 2000. The trial was performed at the Research Institute for animal production in Nitra (Slovak Republic. Sixty does were randomly selected, artificially inseminated and divided into three experimental groups. The first fed a basal diet (C, the second one (T1 received 0.3% of natural extracts mixture and the third one (T2 an integration of 0.6% of natural extracts mixture for gestation and lactation period (65 days The animals were allocated in individual flat-deck cages with a closeable nest box. At parturition, the total number of kits born and stillborn and litters weights were recorded. The data were analyzed by one way Analysis of Variance (ANOVA using SPSS (IBM.-SSPS Statistics 24. Dietary supplementation did not affect (P>0.05 number of kids born (8.0 ± 1.0 C vs 7.3 ± 0.97 T1 and 7.4 ± 1.0 T2 and birth weight (63 ± 2.0 g C vs 60.1 ± 2.3 g T1 and 61.0 ± 2.4 g T2.  The administration of natural extract in does did not improve (P>0.05 the kits average daily gain (20.54 ± 1.3 g/d C vs 21.92 ± 0.5 g/d T1 and 20.93 ± 0.9 g/d T2 and body weight at weaning (829 ± 16.6 g C vs 834 ± 26.6 g

  16. Performance assessment of semiempirical molecular orbital methods in describing halogen bonding: quantum mechanical and quantum mechanical/molecular mechanical-molecular dynamics study.

    Science.gov (United States)

    Ibrahim, Mahmoud A A

    2011-10-24

    The performance of semiempirical molecular-orbital methods--MNDO, MNDO-d, AM1, RM1, PM3 and PM6--in describing halogen bonding was evaluated, and the results were compared with molecular mechanical (MM) and quantum mechanical (QM) data. Three types of performance were assessed: (1) geometrical optimizations and binding energy calculations for 27 halogen-containing molecules complexed with various Lewis bases (Two of the tested methods, AM1 and RM1, gave results that agree with the QM data.); (2) charge distribution calculations for halobenzene molecules, determined by calculating the solvation free energies of the molecules relative to benzene in explicit and implicit generalized Born (GB) solvents (None of the methods gave results that agree with the experimental data.); and (3) appropriateness of the semiempirical methods in the hybrid quantum-mechanical/molecular-mechanical (QM/MM) scheme, investigated by studying the molecular inhibition of CK2 protein by eight halobenzimidazole and -benzotriazole derivatives using hybrid QM/MM molecular-dynamics (MD) simulations with the inhibitor described at the QM level by the AM1 method and the rest of the system described at the MM level. The pure MM approach with inclusion of an extra point of positive charge on the halogen atom approach gave better results than the hybrid QM/MM approach involving the AM1 method. Also, in comparison with the pure MM-GBSA (generalized Born surface area) binding energies and experimental data, the calculated QM/MM-GBSA binding energies of the inhibitors were improved by replacing the G(GB,QM/MM) solvation term with the corresponding G(GB,MM) term.

  17. Contribution to the study of the {sup 31}P, {sup 1}H spin spin coupling constant N. M. R. in three co-ordinated phosphorus compounds. Influence of the bond orientation and of the nature of the substituent around the phosphorus atom; Contribution a l'etude des constantes de couplage {sup 31}P, {sup 1}H en R.M.N. dans les composes organo-phosphores tricoordines. Influence des facteurs geometriques et de la nature des substituants au niveau du phosphore

    Energy Technology Data Exchange (ETDEWEB)

    Robert, J B [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    In order to investigate the influence of the configuration at the phosphorus atom and the influence of the substituents attached to the phosphorus atom on the J{sub PH} spin spin coupling constant, we have performed the NMR spectrum analysis of some three coordinated organo-phosphorus compounds. The studied coupling constants are {sup 3}J{sub PH} through P-O-C-H and P-C-C-H fragments and {sup 2}J{sub PH} through P-C-H fragment. The results clearly show that on the NMR time scale, in all the studied compounds (1,3,2-dioxaphospholanes, 1,3,2-dioxaphosphorinanes, 3-phospha-cyclopentene and 4-phosphorinanone) there is no inversion of the bonds around phosphorous. This conclusion held also for secondary phosphines. For a given geometry of the bonds joining the P and H atoms, and a given disposition of the bonds around the phosphorus atom, there is only a little influence of the nature of the substituents on the J{sub PH} spin coupling constants. The geometrical dependence of the {sup 3}J{sub PH} cannot be explained by a 'Karplus law'. There is an influence of the bond disposition around phosphorus. In the case of the {sup 2}J{sub P-C-H}, one can plot a curve {sup 2}J{sub P-C-H} = f({alpha}) (0{<=} {alpha} {<=} 180), {alpha} denote the dihedral angle of the two plane defined the first one by the P, C and H atoms, and the second one by the P-C bond together with the three-fold axis of the bond around phosphorus assuming a regular pyramidal arrangement. The function {sup 2}J{sub P-C-H} = f({alpha}) has two maxima, one for {alpha} = 0 degrees and the other for {alpha} = 180 degrees, and also a minimum for {alpha} = 110 degrees. (author) [French] Ce travail consiste en l'analyse par resonance magnetique nucleaire des constantes de couplage phosphore-proton dans des derives organo-phosphores tricoordines dans un double but: examen de la stabilite des liaisons au niveau du phosphore et etude de l'influence de la disposition des liaisons et de la nature de substituants au

  18. Effect of load carriage and natural terrain conditions on cognitive performance in desert environments.

    Science.gov (United States)

    Bhattacharyya, Debojyoti; Pal, Madhusudan; Chatterjee, Tirthankar; Majumdar, Dhurjati

    2017-10-01

    Correct decision making is a critical component of cognitive performance of a soldier, which may be influenced by the load carriage and terrain conditions during their deployment in desert environment. The present study was aimed to investigate the effects of loads and terrain conditions on the cognitive performance in a group of twelve healthy heat acclimatized infantry soldiers under natural desert environment. The soldiers participated in a 10min walking trial during carrying no load and also carrying 10.7, 21.4 and 30kg at two terrain conditions viz., sandy and hard. We studied attention, memory and executive function, which are having immense functional importance in military operations. Standardized cognitive test battery was applied to the participants after carrying each magnitude of load at each terrain. Baseline cognitive performance was recorded on a separate day and was compared with the performances recorded after the load carriage trials. An attempt was made to reveal the relationship between physiological workload (relative workload) and cognitive performance at the point of completion of load carriage trials. Load, terrains and load×terrain interaction did not produce any significant effect (p>0.05) on the cognitive performance. Attention and relative workload were found significantly correlated at hard terrain under no load, 21.4kg and 30kg. Significant correlation was found between executive function and relative workload at hard terrain under no load. Carrying upto 30kg load for 10min at 3.5-4kmph walking speed resulted in improvement in attention at sandy terrain, decrement in memory at both sandy and hard terrains and improvement in executive function at sandy terrain. Copyright © 2017 Elsevier Inc. All rights reserved.

  19. The establishment of bonds between professional and patient in TB treatment: the performance of primary health care services in a city in the interior of São Paulo.

    Science.gov (United States)

    Ponce, Maria Amélia Zanon; Vendramini, Silvia Helena Figueiredo; dos Santos, Marilene Rocha; Santos, Maria de Lourdes Sperli Geraldes; Scatena, Lúcia Marina; Villa, Tereza Cristina Scatena

    2011-01-01

    This study evaluated the performance of health care services implementing TB control actions in relation to the establishment of bonds between health professionals and patients in São José do Rio Preto, SP, Brazil from the perspective of patients, health professionals, and managers. A total of 108 patients, 37 health professionals and 15 managers were interviewed through a questionnaire containing 10 indicators of bond-establishment based on the instruments of the Primary Care Assessment Tool, adapted to evaluate tuberculosis control in Brazil. The three groups of actors considered the establishment of bonds satisfactory, though opinions of patients and managers differed in almost all indicators. This fact indicates that the view of managers is still predominantly focused on bureaucratic and administrative aspects, which shows the need for managers to integrate more management and care actions.

  20. Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra.

    Science.gov (United States)

    Soto, C A Téllez; Ramos, J M; Costa Junior, A C; Vieira, Laís S; Rangel, João L; Raniero, L; Fávero, Priscila P; Lemma, Tibebe; Ondar, Grisset F; Versiane, Otavio; Martin, A A

    2013-10-01

    Surface enhancement Raman scattering (SERS) of two tautomer of thiobarbituric acid was obtained using silver and gold nanoparticles. Large band enhancement in the region of the ν(C=S), ν(C=C), δ(CH2), and δ(CNH) vibrational modes was found. Natural bond analysis of the tautomer species revealed expressive values of charge transfer, principally from lone pair electron orbitals of the S, N, and O atoms. Complete vibrational assignment was done for the two tautomers using the B3LYP/6-311+G (d, p) procedure, band deconvolution analysis, and from a rigorous interpretation of the normal modes matrix. The calculated spectra agree well with the experimental ones. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Wire bonding in microelectronics

    CERN Document Server

    Harman, George G

    2010-01-01

    Wire Bonding in Microelectronics, Third Edition, has been thoroughly revised to help you meet the challenges of today's small-scale and fine-pitch microelectronics. This authoritative guide covers every aspect of designing, manufacturing, and evaluating wire bonds engineered with cutting-edge techniques. In addition to gaining a full grasp of bonding technology, you'll learn how to create reliable bonds at exceedingly high yields, test wire bonds, solve common bonding problems, implement molecular cleaning methods, and much more. Coverage includes: Ultrasonic bonding systems and technologies, including high-frequency systems Bonding wire metallurgy and characteristics, including copper wire Wire bond testing Gold-aluminum intermetallic compounds and other interface reactions Gold and nickel-based bond pad plating materials and problems Cleaning to improve bondability and reliability Mechanical problems in wire bonding High-yield, fine-pitch, specialized-looping, soft-substrate, and extreme-temperature wire bo...

  2. Development and Performance Evaluations of HfO2-Si and Rare Earth-Si Based Environmental Barrier Bond Coat Systems for SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Zhu, Dongming

    2014-01-01

    Ceramic environmental barrier coatings (EBC) and SiCSiC ceramic matrix composites (CMCs) will play a crucial role in future aircraft propulsion systems because of their ability to significantly increase engine operating temperatures, improve component durability, reduce engine weight and cooling requirements. Advanced EBC systems for SiCSiC CMC turbine and combustor hot section components are currently being developed to meet future turbine engine emission and performance goals. One of the significant material development challenges for the high temperature CMC components is to develop prime-reliant, high strength and high temperature capable environmental barrier coating bond coat systems, since the current silicon bond coat cannot meet the advanced EBC-CMC temperature and stability requirements. In this paper, advanced NASA HfO2-Si based EBC bond coat systems for SiCSiC CMC combustor and turbine airfoil applications are investigated. The coating design approach and stability requirements are specifically emphasized, with the development and implementation focusing on Plasma Sprayed (PS) and Electron Beam-Physic Vapor Deposited (EB-PVD) coating systems and the composition optimizations. High temperature properties of the HfO2-Si based bond coat systems, including the strength, fracture toughness, creep resistance, and oxidation resistance were evaluated in the temperature range of 1200 to 1500 C. Thermal gradient heat flux low cycle fatigue and furnace cyclic oxidation durability tests were also performed at temperatures up to 1500 C. The coating strength improvements, degradation and failure modes of the environmental barrier coating bond coat systems on SiCSiC CMCs tested in simulated stress-environment interactions are briefly discussed and supported by modeling. The performance enhancements of the HfO2-Si bond coat systems with rare earth element dopants and rare earth-silicon based bond coats are also highlighted. The advanced bond coat systems, when

  3. New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons

    Directory of Open Access Journals (Sweden)

    Sławomir J. Grabowski

    2017-12-01

    Full Text Available MP2/aug-cc-pVTZ calculations were performed for complexes of BrF3 and BrF5 acting as Lewis acids through the bromine centre, with species playing a role of Lewis base: dihydrogen, acetylene, ethylene, and benzene. The molecular hydrogen donates electrons by its σ-bond, while in remaining moieties—in complexes of hydrocarbons; such an electron transfer follows from π-electrons. The complexes are linked by a kind of the halogen bond that is analyzed for the first time in this study, i.e., it is the link between the multivalent halogen and π or σ-electrons. The nature of such a halogen bond is discussed, as well as various dependencies and correlations are presented. Different approaches are applied here, the Quantum Theory of Atoms in Molecules, Natural Bond Orbital method, the decomposition of the energy of interaction, the analysis of electrostatic potentials, etc.

  4. Performance analysis of greenhouse dryer by using insulated north-wall under natural convection mode

    Directory of Open Access Journals (Sweden)

    Prashant Singh Chauhan

    2016-11-01

    Full Text Available A prototype north wall insulated greenhouse dryer has been fabricated and tested in no-load conditions under natural convection mode. Experimentation has been conducted in two different cases. Case-I is when solar collector placed inside the dryer and Case-II is North wall insulated greenhouse dryer without solar collector. Coefficient of performance, heat utilisation factor, convective heat transfer coefficient and coefficient of diffusivity have been evaluated in thermal performance analysis. The difference of the highest convective heat transfer coefficient of both cases is 29.094W/m2°C which is showing the effectiveness of insulated north wall and solar collector. The maximum coefficient of diffusivity (0.0827 was achieved during the third day of experiment in Case-II. The inside room temperature of wall insulated greenhouse dryer for Case-I is 4.11%, 5.08 % and 11.61 % higher than the Case-II during the day 1, day 2 and day 3 respectively. This result is also showing the effectiveness of solar collector and insulated north wall. The highest heat utilisation factor (0.616 is obtained during the second day for Case-I while for Case-II it is 0.769 during the third day of experimentation. Maximum coefficient of performance achieved is 0.892 during the third day of the experiment for Case-I whereas 0.953 is obtained on the first day of experimentation for Case-II.

  5. Analyzing PSU’s Performance: A Case from Ministry of Petroleum and Natural Gas of India

    Directory of Open Access Journals (Sweden)

    Chia-Nan Wang

    2013-01-01

    Full Text Available The high economic growth in the past few years and increasing industrialization coupled with a burgeoning population have created a lot of concern for India’s energy scenario. India’s crude oil production has not shown significant growth in the last 10 or more years whereas its refining capacity has grown by more than 20% over the last 5 years. Oil consumption is growing at approximately 4.1% per year and natural gas consumption is growing at 68% per year. Therefore, evaluation performances and pushing energy companies to improve become important issues. The purpose of this research is of evaluation the performance of Indian energy industry under multiple different inputs and outputs criteria. The data envelopment analysis (DEA and grey theory are used to conduct this study. There are total 14 public sector undertakings (PSUs under this industry and no any private company. However, only 10 of them are mature enough to be published in India stock markets. Therefore, the realistic data of all 10 companies are used for this evaluation. The results demonstrate that Gas Authority of India Limited (GAIL, Chennai Petroleum Corporation Limited (CPCL, and Oil India Limited (OIL are the top 3 of ranking influences. This integrated numerical study gives a better “past-present-future” insights into evaluation performance in India energy industry.

  6. N-enriched multilayered porous carbon derived from natural casings for high-performance supercapacitors

    Science.gov (United States)

    Xu, Zongying; Li, Yu; Li, Dandan; Wang, Dawei; Zhao, Jing; Wang, Zhifeng; Banis, Mohammad N.; Hu, Yongfeng; Zhang, Huaihao

    2018-06-01

    In this study, N-enriched multilayered porous activated carbon (LPAC), using natural casings as precursor, was fabricated by a facile carbonization and subsequent KOH activation procedure. The influence of the mass ratio of KOH to carbonized material on pore-structure and surface element composition of LPACs was investigated by a variety of means, such as SEM, HRTEM, BET, Raman, XRD, XPS and XAS. Owing to the unique multilayered texture and nitrogen (N) and oxygen (O) rich feature of natural casings, the resulting LPACs possess interconnected and developed porous structure with N- and O-enriched functional groups, contributing to larger pseudocapacitance. With the rise of mass ratio, the specific surface area (SSA) and average pore size of LPACs increased. The final materials were endowed with a desirable SSA (3100 m2 g-1) and high N content (6.34 at.%). Meanwhile, N- and O-enriched LPAC-4 exhibited a high specific capacitance (307.5 F g-1 at a current density of 0.5 A g-1 in 6 M KOH aqueous solution), excellent rate performance (63.4% capacitance retention at 20 A g-1) and good cycling stability (7.1% capacitance loss after 5000 cycles). Furthermore, the assembled symmetrical supercapacitor (LPAC-4//LPAC-4) with a wide voltage window of 1.4 V delivered a remarkable energy density of 11.6 Wh kg-1 at a power density of 297 W kg-1. These results suggested that unique LPACs derived from natural casings are a promising material for supercapacitors.

  7. Natural selection on thermal preference, critical thermal maxima and locomotor performance.

    Science.gov (United States)

    Gilbert, Anthony L; Miles, Donald B

    2017-08-16

    Climate change is resulting in a radical transformation of the thermal quality of habitats across the globe. Whereas species have altered their distributions to cope with changing environments, the evidence for adaptation in response to rising temperatures is limited. However, to determine the potential of adaptation in response to thermal variation, we need estimates of the magnitude and direction of natural selection on traits that are assumed to increase persistence in warmer environments. Most inferences regarding physiological adaptation are based on interspecific analyses, and those of selection on thermal traits are scarce. Here, we estimate natural selection on major thermal traits used to assess the vulnerability of ectothermic organisms to altered thermal niches. We detected significant directional selection favouring lizards with higher thermal preferences and faster sprint performance at their optimal temperature. Our analyses also revealed correlational selection between thermal preference and critical thermal maxima, where individuals that preferred warmer body temperatures with cooler critical thermal maxima were favoured by selection. Recent published estimates of heritability for thermal traits suggest that, in concert with the strong selective pressures we demonstrate here, evolutionary adaptation may promote long-term persistence of ectotherms in altered thermal environments. © 2017 The Author(s).

  8. Natural analogs of the long-term performance of engineered covers

    International Nuclear Information System (INIS)

    Waugh, W.J.; Petersen, K.L.; Link, S.O.; Bjornstad, B.N.; Gee, G.W.

    1994-01-01

    The unprecedented legislative demand that in-situ waste-disposal facilities effectively persist indefinitely requires a performance assessment approach that exceeds standard engineering practices and incorporates possible long-term changes in site hydrology, geology, and ecology. Even in relatively arid regions, over time, buried waste will be vulnerable to transport via rainwater percolation, gas diffusion, erosion, and intrusion by plant roots, burrowing animals, and humans. Standard models and field tests of engineered covers designed to impede these pathways implicitly and erroneously assume that initial conditions of many key determinants will persist indefinitely. Evidence from natural, archaeological, and engineered analogs is needed (1) to identify and understand emergent system attributes that cannot be captured with computer models or short-term experiments, and (2) to develop modeling and field tests that reasonably bound possible future changes in waste-site environments. Analogs of local responses to future global climate change exist as proxy ecological and archaeological records of similar paleoclimates. Future pedogenic influences can be inferred form measurements of key soil properties in natural and archaeological soil profiles analogous to engineered covers. Many cover designs depend on water extraction by plants. Influences of vegetation change can be inferred by measuring water extraction parameters in plant communities representing successional chronosequences. Habitats similar to those created on waste sites provide evidence of the potential for biological intrusion. Recent and ancient man-made structures provide evidence of the future stability of waste-site covers and of features that may discourage human intrusion. 108 refs., 4 figs

  9. Thermal performance of natural airflow window in subtropical and temperate climate zones - A comparative study

    International Nuclear Information System (INIS)

    Chow Tintai; Lin Zhang; Fong Kwongfai; Chan Lokshun; He Miaomiao

    2009-01-01

    Airflow window is highly useful in conserving building energy, and lessens the comfort problems caused by glazing. In this study, the thermal performance of a natural airflow window was examined through the use of a dynamic model, developed based on the integrated energy balance and airflow networks. The validity of the model was first tested by measured data obtained from a prototype installed at an environmental chamber. The application in the subtropical and temperate climate zones were then examined with the typical weather data of Hong Kong and Beijing. The findings confirmed that the natural airflow window can achieve substantial energy saving in both cities, and the reversible window frame is only required for Beijing, a location with hot summer and cold winter. The space cooling load via fenestration in Hong Kong, a subtropical city, can be reduced to 60% of the commonly used single absorptive glazing. In Beijing, as an example of the temperate climate, this can be reduced to 75% of the commonly used double glazing configuration in the summer period, and the space heat gain can be improved by 46% in the winter period.

  10. Experimental Investigation of a Natural Circulation Solar Domestic Water Heater Performance under Standard Consumption Rate

    DEFF Research Database (Denmark)

    Kolaei, Alireza Rezania; Taherian, H.; Ganji, D. D.

    2012-01-01

    This paper reports experimental studies on the performance of a natural circulation solar water heater considering the weather condition of a city in north of Iran. The tests are done on clear and partly cloudy days. The variations of storage tank temperature due to consumption from the tank, daily...... consumption influence on the solar water heater efficiency, and on the input temperature of the collector are studied and the delivered daily useful energy has been obtained. The results show that by withdrawing from storage tank, the system as well as its collector efficiency will increase. Considering...... the value of the coefficient FRUL and τα, which are obtained experimentally as 6.03 and 0.83 respectively, average. monthly total load that is covered by this solar water heating system is estimated....

  11. Dual-fuel natural gas/diesel engines: Technology, performance, and emissions

    Science.gov (United States)

    Turner, S. H.; Weaver, C. S.

    1994-11-01

    An investigation of current dual-fuel natural gas/diesel engine design, performance, and emissions was conducted. The most pressing technological problems associated with dual-fuel engine use were identified along with potential solutions. It was concluded that dual-fuel engines can achieve low NO(sub x) and particulate emissions while retaining fuel-efficiency and BMEP levels comparable to those of diesel engines. The investigation also examined the potential economic impact of dual-fuel engines in diesel-electric locomotives, marine vessels, farm equipment, construction, mining, and industrial equipment, and stand-alone electricity generation systems. Recommendations for further additional funding to support research, development, and demonstration in these applications were then presented.

  12. Data on the natural ventilation performance of windcatcher with anti-short-circuit device (ASCD).

    Science.gov (United States)

    Nejat, Payam; Calautit, John Kaiser; Majid, Muhd Zaimi Abd; Hughes, Ben Richard; Jomehzadeh, Fatemeh

    2016-12-01

    This article presents the datasets which were the results of the study explained in the research paper 'Anti-short-circuit device: a new solution for short-circuiting in windcatcher and improvement of natural ventilation performance' (P. Nejat, J.K. Calautit, M.Z. Abd. Majid, B.R. Hughes, F. Jomehzadeh, 2016) [1] which introduces a new technique to reduce or prevent short-circuiting in a two-sided windcatcher and also lowers the indoor CO2 concentration and improve the ventilation distribution. Here, we provide details of the numerical modeling set-up and data collection method to facilitate reproducibility. The datasets includes indoor airflow, ventilation rates and CO2 concentration data at several points in the flow field. The CAD geometry of the windcatcher models are also included.

  13. On the performance of atomic natural orbital basis sets: A full configuration interaction study

    International Nuclear Information System (INIS)

    Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.

    1990-01-01

    The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets

  14. Nature-Inspired Green Procedure for Improving Performance of Protein-Based Nanocomposites via Introduction of Nanofibrillated Cellulose-Stablized Graphene/Carbon Nanotubes Hybrid

    Directory of Open Access Journals (Sweden)

    Shicun Jin

    2018-03-01

    Full Text Available Soy protein isolate (SPI provides a potential alternative biopolymer source to fossil fuels, but improving the mechanical properties and water resistance of SPI composites remains a huge challenge. Inspired by the synergistic effect of natural nacre, we developed a novel approach to fabricate high-performance SPI nanocomposite films based on 2D graphene (G nanosheets and 1D carbon nanotubes (CNTs and nanofibrillated cellulose (NFC using a casting method. The introduction of web-like NFC promoted the uniform dispersion of graphene/CNTs in the biopolymer matrix, as well as a high extent of cross-linkage combination between the fillers and SPI matrix. The laminated and cross-linked structures of the different nanocomposite films were observed by field-emission scanning electron microscope (FE-SEM images. Due to the synergistic interactions of π–π stacking and hydrogen bonding between the nanofillers and SPI chains, the tensile strength of SPI/G/CNT/NFC film significantly increased by 78.9% and the water vapor permeability decreased by 31.76% in comparison to neat SPI film. In addition, the ultraviolet-visible (UV-vis light barrier performance, thermal stability, and hydrophobicity of the films were significantly improved as well. This bioinspired synergistic reinforcing strategy opens a new path for constructing high-performance nanocomposites.

  15. Fluorocarbon-bonded magnetic mesoporous microspheres for the analysis of perfluorinated compounds in human serum by high-performance liquid chromatography coupled to tandem mass spectrometry

    International Nuclear Information System (INIS)

    Liu, Xiaodan; Yu, Yingjia; Li, Yan; Zhang, Haiying; Ling, Jin; Sun, Xueni; Feng, Jianan; Duan, Gengli

    2014-01-01

    Highlights: • New SPE method was developed for analysis of PFCs in human serum. • Fluorocarbon-bonded magnetic mesoporous microspheres were used as SPE absorbents. • PFCs in serum were directly extracted without any other pretreatment procedure. • The PFCs-adsorbed microspheres were simply and rapidly isolated by using a magnet. - Abstract: We report herein an extraction method for the analysis of perfluorinated compounds in human serum based on magnetic core–mesoporous shell microspheres with decyl-perfluorinated interior pore-walls (Fe 3 O 4 @mSiO 2 -F 17 ). Thanks to the unique properties of the Fe 3 O 4 @mSiO 2 -F 17 microspheres, macromolecules like proteins could be easily excluded from the mesoporous channels due to size exclusion effect, and perfluorinated compounds (PFCs) in protein-rich biosamples such as serum could thus be directly extracted with the fluorocarbon modified on the channel wall without any other pretreatment procedure. The PFCs adsorbed Fe 3 O 4 @mSiO 2 -F 17 microspheres could then be simply and rapidly isolated by using a magnet, followed by being identified and quantified by LC–MS/MS (high-performance liquid chromatography coupled to tandem mass spectrometry). Five perfluorinatedcarboxylic acids (C6, C8–C11) and perfluorooctane sulfonate (PFOS) were selected as model analytes. In order to achieve the best extraction efficiency, some important factors including the amount of Fe 3 O 4 @mSiO 2 -F 17 microspheres added, adsorption time, type of elution solvent, eluting solvent volume and elution time were investigated. The ranges of the LOD were 0.02–0.05 ng mL −1 for the six PFCs. The recovery of the optimized method varies from 83.13% to 92.42% for human serum samples

  16. Performance evaluation of stone matrix asphalt using indonesian natural rock asphalt as stabilizer

    Directory of Open Access Journals (Sweden)

    Nyoman Suaryana

    2016-09-01

    Full Text Available One type of road pavement material which is developed to be more resistant to permanent deformation is the SMA (Stone Matrix Asphalt. Utilization of the SMA mix in Indonesia has constraints in gain stabilizer and also difficulty to comply the gradations, mainly because it needs a relatively large amount of filler. Alternative of local materials that can be used is asbuton (natural rock asphalt from Buton Island. Asbuton is expected to act as a stabilizer and simultaneously provides an additional filler. The objective of this research is to evaluate the performance of the SMA that uses the asbuton. The methodology used in this research is the experimental method, its starts from material testing, design mix and performance testing that includes dynamic modulus, permanent deformation and fatigue resistance. The results obtained showed asbuton can prevent asphalt draindown as well as increase the proportion of filler. Draindown asphalt can be prevented by using binder absorbers with fiber cellulose and viscosity boosters with asbuton. Asbuton (LGA 50/25 can behave as a stabilizer as well as cellulose fiber. Addition of asbuton also improves the performance of the SMA mix, as shown with increase in the value of dynamic stability. In terms of resistance to fatigue, SMA with cellulosa as stabilizer and SMA with asbuton as stabilizer, relatively have the same performance. Master curve of dynamic modulus indicates SMA with asbuton as stabilizer is relatively stiffer at high temperatures (more than 4.4 °C, but relatively less stiff (less brittle at low temperatures. Keywords: Stone matrix asphalt, Asbuton, Draindown, Dynamic modulus, Permanent deformation

  17. Environmental performance of a naturally ventilated city centre library; Milieuprestatie van een natuurlijk geventileerde stadsbibliotheek

    Energy Technology Data Exchange (ETDEWEB)

    Krausse, B.; Cook, M.; Lomas, K.

    2008-03-15

    To tackle climate change it is essential to reduce carbon dioxide emissions. To this end, it is important to reduce the energy demands of nondomestic buildings. Naturally ventilated buildings can have low energy demands but the strategy is difficult to implement in deep plan, urban sites. The Frederick Lanchester Library at Coventry University, UK, incorporates natural ventilation, daylighting and passive cooling strategies. By using lightwells and perimeter stacks to supply and exhaust air, it can be ventilated by natural means despite its deep plan form and sealed facade. This paper describes the building and presents the energy consumption and the internal temperatures and CO2 levels recorded in 2004/2005. The building's performance is compared to the original design criteria and good practice guidelines. Recommendations for the design of such buildings are made and the likely performance in other UK cities is assessed. It is concluded that the building uses under half the energy of a standard airconditioned building and yet, in summer, can keep the interior comfortable and up to 5C below ambient. The design would perform equally well in the typical weather conditions experienced at 13 other UK cities, but not in London. It is concluded that deep-plan, naturally ventilated buildings with sealed facades, if well designed, could maintain thermal comfort in all but a very few UK sites, whilst consuming much less energy than even good practice standards. [Dutch] Natuurlijk geventileerde gebouwen kunnen een lage energievraag hebben. Het is echter moeilijk om deze strategie te implementeren in gebouwen in stedelijke gebieden met een, in verhouding, diepe plattegrond. De Frederick Lanchester Bibliotheek op de Coventry Universiteit in het Verenigd Koninkrijk brengt natuudijke ventilatie, daglicht en passieve koeling samen tot een geheel. Door gebruik te maken van een atrium en ventilatieschachten voor de toevoer en afvoer van lucht, kan er op een natuurlijke wijze

  18. Mechanical Performance of Natural / Natural Fiber Reinforced Hybrid Composite Materials Using Finite Element Method Based Micromechanics and Experiments

    OpenAIRE

    Rahman, Muhammad Ziaur

    2017-01-01

    A micromechanical analysis of the representative volume element (RVE) of a unidirectional flax/jute fiber reinforced epoxy composite is performed using finite element analysis (FEA). To do so, first effective mechanical properties of flax fiber and jute fiber are evaluated numerically and then used in evaluating the effective properties of ax/jute/epoxy hybrid composite. Mechanics of Structure Genome (MSG), a new homogenization tool developed in Purdue University, is used to calculate the hom...

  19. "Vibrational bonding": a new type of chemical bond is discovered.

    Science.gov (United States)

    Rhodes, Christopher J; Macrae, Roderick M

    2015-01-01

    A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging.

  20. Functional chiral hydrogen-bonded assemblies

    NARCIS (Netherlands)

    Mateos timoneda, Miguel

    2005-01-01

    In this thesis different aspects of functional hydrogen-bonded (double and tetrarosette) assemblies are described. The functions were inspired by naturally occurring mechanisms such as molecular recognition, supramolecular chirality and its origin, and biostrategies for the correct folding of

  1. Growth performance and carcase quality in broiler chickens fed on bacterial protein grown on natural gas.

    Science.gov (United States)

    Øverland, M; Schøyen, H F; Skrede, A

    2010-10-01

    1. The effects of increasing concentrations (0, 40, 80 or 120 g/kg) of bacterial protein meal (BPM) and bacterial protein autolysate (BPA) grown on natural gas on growth performance and carcase quality in broiler chickens were examined. 2. Adding BPM to diets reduced feed intake and improved gain: feed from 0 to 21 d and overall to 35 d, but did not significantly affect weight gain compared to the soybean meal based control diet. 3. Increasing concentrations of BPA significantly reduced growth rate, feed intake, gain: feed, carcase weight and dressing percentage, but significantly increased carcase dry matter, fat and energy content. 4. Adding BPM to diets had no effect on viscosity of diets and jejunal digesta, and minor effects on litter quality, whereas BPA increased the viscosity of diets and jejunal digesta, improved litter quality at 21 d, but decreased litter quality at 32 d. 5. To conclude, broiler chickens performed better on a BPM product with intact proteins than on an autolysate with ruptured cell walls and a high content of free amino acids and low molecular-weight peptides.

  2. Truth Behind Economic Performance, Natural Resources and Attracting Foreign Direct Investment

    Directory of Open Access Journals (Sweden)

    Arthelo P. Palma

    2016-10-01

    Full Text Available Using a preliminary investigation and analysis on the latest data on GDP (Gross Domestic Product performance, GOI (Global Opportunity Index, Vulnerability Score, Readiness Score, and the number of resources of economic importance, exploratory or preliminary SEM (structural equation modelling was prompted on the recent available data of the 131 countries (n=131. The model was robust, addressing concerns about multivariate assumptions and other measures on the goodness of fit. It was found that the number of natural resources of economic importance plays a large role in the GDP performance. Thus, the preliminary symptom of Dutch disease continues to manifest for as long as each country aims for development, with their resources as ultimate enticing factors for foreign direct investment (FDI. In addition, economic growth is so far observed to be associated with the vulnerability of the country to climate change. Finally, economic growth was found to be linked to the negative impacts argued by the dependency theory. Implication on governance was discussed.

  3. Effect of multi-stream heat exchanger on performance of natural gas liquefaction with mixed refrigerant

    Science.gov (United States)

    Chang, Ho-Myung; Lim, Hye Su; Choe, Kun Hyung

    2012-12-01

    A thermodynamic study is carried out to investigate the effect of multi-stream heat exchanger on the performance of natural gas (NG) liquefaction with mixed refrigerant (MR). A cold stream (low-pressure MR) is in thermal contact with opposite flow of two hot streams (high-pressure MR and NG feed) at the same time. In typical process simulation with commercial software (such as Aspen HYSYS®), the liquefaction performance is estimated with a method of minimum temperature approach, simply assuming that two hot streams have the same temperature. In this study, local energy balance equations are rigorously solved with temperature-dependent properties of MR and NG feed, and are linked to the thermodynamic cycle analysis. The figure of merit (FOM) is quantitatively examined in terms of UA (the product of overall heat transfer coefficient and heat exchange area) between respective streams. In a single-stage MR process, it is concluded that the temperature profile from HYSYS is difficult to realize in practice, and the FOM value from HYSYS is an over-estimate, but can be closely achieved with a proper heat-exchanger design. It is also demonstrated that there exists a unique optimal ratio in three UA's, and no direct heat exchanger between hot streams is recommended.

  4. Origin of the X-Hal (Hal = Cl, Br) bond-length change in the halogen-bonded complexes.

    Science.gov (United States)

    Wang, Weizhou; Hobza, Pavel

    2008-05-01

    The origin of the X-Hal bond-length change in the halogen bond of the X-Hal...Y type has been investigated at the MP2(full)/6-311++G(d,p) level of theory using a natural bond orbital analysis, atoms in molecules procedure, and electrostatic potential fitting methods. Our results have clearly shown that various theories explaining the nature of the hydrogen bond cannot be applied to explain the origin of the X-Hal bond-length change in the halogen bond. We provide a new explanation for this change. The elongation of the X-Hal bond length is caused by the electron-density transfer to the X-Hal sigma* antibonding orbital. For the blue-shifting halogen bond, the electron-density transfer to the X-Hal sigma* antibonding orbital is only of minor importance; it is the electrostatic attractive interaction that causes the X-Hal bond contraction.

  5. Recent Advances in Adhesive Bonding - The Role of Biomolecules, Nanocompounds, and Bonding Strategies in Enhancing Resin Bonding to Dental Substrates.

    Science.gov (United States)

    Münchow, Eliseu A; Bottino, Marco C

    2017-09-01

    To present an overview on the main agents (i.e., biomolecules and nanocompounds) and/or strategies currently available to amplify or stabilize resin-dentin bonding. According to studies retrieved for full text reading (2014-2017), there are currently six major strategies available to overcome resin-dentin bond degradation: (i) use of collagen crosslinking agents, which may form stable covalent bonds with collagen fibrils, thus strengthening the hybrid layer; (ii) use of antioxidants, which may allow further polymerization reactions over time; (iii) use of protease inhibitors, which may inhibit or inactivate metalloproteinases; (iv) modification of the bonding procedure, which may be performed by using the ethanol wet-bonding technique or by applying an additional adhesive (hydrophobic) coating, thereby strengthening the hybrid layer; (v) laser treatment of the substrate prior to bonding, which may cause specific topographic changes in the surface of dental substrates, increasing bonding efficacy; and (vi) reinforcement of the resin matrix with inorganic fillers and/or remineralizing agents, which may positively enhance physico-mechanical properties of the hybrid layer. With the present review, we contributed to the better understanding of adhesion concepts and mechanisms of resin-dentin bond degradation, showing the current prospects available to solve that problematic. Also, adhesively-bonded restorations may be benefited by the use of some biomolecules, nanocompounds or alternative bonding strategies in order to minimize bond strength degradation.

  6. Theoretical investigation of compounds with triple bonds

    International Nuclear Information System (INIS)

    Devarajan, Deepa

    2011-01-01

    In this thesis, compounds with potential triple-bonding character involving the heavier main-group elements, Group 4 transition metals, and the actinides uranium and thorium were studied by using molecular quantum mechanics. The triple bonds are described in terms of the individual orbital contributions (σ, π parallel , and π perpendicular to ), involving electron-sharing covalent or donor-acceptor interactions between the orbitals of two atoms or fragments. Energy decomposition, natural bond orbital, and atoms in molecules analyses were used for the bonding analysis of the triple bonds. The results of this thesis suggest that the triple-bonding character between the heavier elements of the periodic table is important and worth further study and exploration.

  7. Cross-winds effect on the performance of natural draft wet cooling towers

    Energy Technology Data Exchange (ETDEWEB)

    Al-Waked, R. [Dhofar Univ., Mechanical Engineering Dept., College of Engineering, Sultanate of Oman (Oman)

    2010-01-15

    Effects of cross-winds on the thermal performance of natural draft wet cooling towers (NDWCTs) have been investigated. A three-dimensional CFD model has been used to determine the effect of cross-winds on NDWCTs performance surrounded by power plant building structures. The three-dimensional CFD model has utilized the standard k-{epsilon} turbulence model as the turbulence closure. Two cases have been investigated: a stand-alone NDWCT and two NDWCTs within a proposed power plant structures (PPS). It has been found that regardless of the cross-winds direction, an increase of 1.3 k or more could be predicted at cross-winds speeds greater than 4 m/s. Furthermore, the performance of NDWCTs under cross-winds has been found to be dependent on the three major factors: the structure of the approaching cross-winds and whether it is disturbed or undisturbed, the location of the NDWCT in the wake of the other NDWCT, and the location of the NDWCT in front of/in the wake of the PPS. When comparing results from the stand-alone and from the NDWCTs within PPS simulations, differences in {delta}T{sub wo} were found to be less than 1 K for the whole span of cross-winds speeds and could be decreased to 0.7 K for speeds less than 8 m/s. Finally, results obtained from the simulation of a stand-alone NDWCT could be used instead of those from NDWCTs within PPS at a certain cross-winds direction for qualitative comparisons. (authors)

  8. Cross-winds effect on the performance of natural draft wet cooling towers

    International Nuclear Information System (INIS)

    Al-Waked, R.

    2010-01-01

    Effects of cross-winds on the thermal performance of natural draft wet cooling towers (NDWCTs) have been investigated. A three-dimensional CFD model has been used to determine the effect of cross-winds on NDWCTs performance surrounded by power plant building structures. The three-dimensional CFD model has utilized the standard k-ε turbulence model as the turbulence closure. Two cases have been investigated: a stand-alone NDWCT and two NDWCTs within a proposed power plant structures (PPS). It has been found that regardless of the cross-winds direction, an increase of 1.3 k or more could be predicted at cross-winds speeds greater than 4 m/s. Furthermore, the performance of NDWCTs under cross-winds has been found to be dependent on the three major factors: the structure of the approaching cross-winds and whether it is disturbed or undisturbed, the location of the NDWCT in the wake of the other NDWCT, and the location of the NDWCT in front of/in the wake of the PPS. When comparing results from the stand-alone and from the NDWCTs within PPS simulations, differences in ΔT wo were found to be less than 1 K for the whole span of cross-winds speeds and could be decreased to 0.7 K for speeds less than 8 m/s. Finally, results obtained from the simulation of a stand-alone NDWCT could be used instead of those from NDWCTs within PPS at a certain cross-winds direction for qualitative comparisons. (authors)

  9. Impact of design options on natural circulation performance of the AFR-300 advanced fast reactor

    International Nuclear Information System (INIS)

    Dunn, F. D.

    2002-01-01

    The AFR-300, Advanced Fast Reactor (300 Mwe), has been proposed as a Generation IV concept. It could also be used to dispose of surplus weapons grade plutonium or as an actinide burner for transmutation of high level radioactive waste. AFR-300 uses metallic fuel and sodium coolant. The design of AFR-300 takes account of the successful design and operation of EBR-II, but the AFR-300 design includes a number of advances such as an advanced fuel cycle, inspectability and improved economics. One significant difference between AFR-300 and EBR-II is that AFR-300 is considerably larger. Another significant difference is that AFR-300 has no auxiliary EM pump in the primary loop to guarantee positive core flow when the main primary pumps are shut down. Thus, one question that has come up in connection with the AFR-300 design is whether natural circulation flow is sufficient to prevent damage to the core if the primary pumps fail. Insufficient natural circulation flow through the core could result in high cladding temperatures and cladding failure due to eutectic penetration of the cladding by the metal fuel. The rate of eutectic penetration of the cladding is strongly temperature dependent, so cladding failure depends on how hot the cladding gets and how long it is at elevated temperatures. To investigate the adequacy of natural circulation flow, a number of pump failure transients and a number of design options have been analyzed with the SASSYS-1 systems analysis code. This code has been validated for natural circulation behavior by analysis of Shutdown Heat Removal Tests performed in EBR-II. The AFR-300 design includes flywheels on the primary pumps to extend the pump coastdown times, and the size of the flywheels can be picked to give optimum coastdown times. One series of transients that has been run consists of protected loss-of-flow transients with various values for the combined moment of inertia of the pump, the motor and the flywheel giving coastdown times from 70

  10. Phenotypic Screening Identifies Synergistically Acting Natural Product Enhancing the Performance of Biomaterial Based Wound Healing

    Directory of Open Access Journals (Sweden)

    Srinivasan Sivasubramanian

    2017-07-01

    Full Text Available The potential of multifunctional wound heal biomaterial relies on the optimal content of therapeutic constituents as well as the desirable physical, chemical, and biological properties to accelerate the healing process. Formulating biomaterials such as amnion or collagen based scaffolds with natural products offer an affordable strategy to develop dressing material with high efficiency in healing wounds. Using image based phenotyping and quantification, we screened natural product derived bioactive compounds for modulators of types I and III collagen production from human foreskin derived fibroblast cells. The identified hit was then formulated with amnion to develop a biomaterial, and its biophysical properties, in vitro and in vivo effects were characterized. In addition, we performed functional profiling analyses by PCR array to understand the effect of individual components of these materials on various genes such as inflammatory mediators including chemokines and cytokines, growth factors, fibroblast stimulating markers for collagen secretion, matrix metalloproteinases, etc., associated with wound healing. FACS based cell cycle analyses were carried out to evaluate the potential of biomaterials for induction of proliferation of fibroblasts. Western blot analyses was done to examine the effect of biomaterial on collagen synthesis by cells and compared to cells grown in the presence of growth factors. This work demonstrated an uncomplicated way of identifying components that synergistically promote healing. Besides, we demonstrated that modulating local wound environment using biomaterials with bioactive compounds could enhance healing. This study finds that the developed biomaterials offer immense scope for healing wounds by means of their skin regenerative features such as anti-inflammatory, fibroblast stimulation for collagen secretion as well as inhibition of enzymes and markers impeding the healing, hydrodynamic properties complemented

  11. Diffusionless bonding of aluminum to type 304 stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Watson, R D

    1963-03-15

    High strength diffusionless bonds can be produced between 1S aluminum and oxidized 304 stainless steel by hot pressing and extrusion bonding. Both the hot pressing and extrusion bonding techniques have been developed to a point where consistently good bonds can be obtained. Although the bonding is performed at elevated temperatures (about 510{sup o}C) a protective atmosphere is not required to produce strong bonds. The aluminum-stainless steel bonded specimens can be used to join aluminum and stainless steel by conventional welding. Welding close to the bond zone does not appear to affect the integrity of the bond. The extrusion bonding technique is covered by Canadian patent 702,438 January 26, 1965 and the hot press bonding technique by Canadian patent application 904,548 June 6, 1964. (author)

  12. Diffusionless bonding of aluminum to type 304 stainless steel

    International Nuclear Information System (INIS)

    Watson, R.D.

    1963-03-01

    High strength diffusionless bonds can be produced between 1S aluminum and oxidized 304 stainless steel by hot pressing and extrusion bonding. Both the hot pressing and extrusion bonding techniques have been developed to a point where consistently good bonds can be obtained. Although the bonding is performed at elevated temperatures (about 510 o C) a protective atmosphere is not required to produce strong bonds. The aluminum-stainless steel bonded specimens can be used to join aluminum and stainless steel by conventional welding. Welding close to the bond zone does not appear to affect the integrity of the bond. The extrusion bonding technique is covered by Canadian patent 702,438 January 26, 1965 and the hot press bonding technique by Canadian patent application 904,548 June 6, 1964. (author)

  13. Localization of double bonds in triacylglycerols using high-performance liquid chromatography/atmospheric pressure chemical ionization ion-trap mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Háková, Eva; Vrkoslav, Vladimír; Míková, Radka; Schwarzová-Pecková, K.; Bosáková, Z.; Cvačka, Josef

    2015-01-01

    Roč. 407, č. 17 (2015), s. 5175-5188 ISSN 1618-2642 R&D Projects: GA ČR GAP206/12/0750 Institutional support: RVO:61388963 Keywords : double bond * gas-phase chemistry * lipidomics * olive oil * vernix caseosa Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.125, year: 2015

  14. Unusual bond paths in organolithium compounds

    International Nuclear Information System (INIS)

    Bachrach, S.M.; Ritchie, J.P.

    1986-01-01

    We have applied the topological method to a number of organolithium compounds. The wavefunctions were determined with GAUSSIAN-82 using 3-21G basis set and fully optimized geometries. Gradient paths were obtained using the RHODER package and critical points were located using EXTREME. These results indicate the unusual nature of organolithium compounds. The strange bond paths arise mainly from the ionic nature of the C-Li interaction. We suggest that the term ''bond path'' may best be suited for covalent bonds. 4 figs., 1 tab

  15. Performance of a new one-step multi-mode adhesive on etched vs non-etched enamel on bond strength and interfacial morphology.

    Science.gov (United States)

    de Goes, Mario Fernando; Shinohara, Mirela Sanae; Freitas, Marcela Santiago

    2014-06-01

    To compare microtensile bond strength (μTBS) and interfacial morphology of a new one-step multimode adhesive with a two-step self-etching adhesive and two etch-and-rinse adhesives systems on enamel. Thirty human third molars were sectioned to obtain two enamel fragments. For μTBS, 48 enamel surfaces were ground using 600-grit SiC paper and randomly assigned into 6 groups (n = 8): nonetched Scotchbond Universal [SBU]; etched SBU [SBU-et]; non-etched Clearfil SE Bond [CSE]; etched CSE [CSE-et]; Scotchbond Multi-PURPOSE [SBMP]; Excite [EX]. The etched specimens were conditioned with 37% phosphoric acid for 30 s, each adhesive system was applied according to manufacturers' instructions, and composite resin blocks (Filtek Supreme Plus, 3M ESPE) were incrementally built up. Specimens were sectioned into beams with a cross-sectional area of 0.8-mm2 and tested under tension (1 mm/min). The data were analyzed with oneway ANOVA and Fisher's PLSD (α = 0.05). For interface analysis, two samples from each group were embedded in epoxy resin, polished, and then observed using scanning electron microscopy (SEM). The μTBS values (in MPa) and the standard deviations were: SBU = 27.4 (8.5); SBU-et = 33.6 (9.3); CSE = 28.5 (8.3); CSE-et = 34.2 (9.0); SBMP = 30.4 (11.0); EX = 23.3 (8.2). CSE-et and SBU-et presented the highest bond strength values, followed by SBMP, CSE, and SBU which did not differ significantly from each other. EX showed the statistically significantly lowest bond strength values. SEM images of interfaces from etched samples showed long adhesive-resin tags penetrating into demineralized enamel. Preliminary etching of enamel significantly increased bond strength for the new one-step multimode adhesive SBU and two-step self-etching adhesive CSE.

  16. Evaluation on Performances of Yoghurt Used Modern Technology Versus Natural One

    Directory of Open Access Journals (Sweden)

    W Sayang Yupardhi

    2015-01-01

    Full Text Available Abstract. A research for studying performances (aromatics including colour, taste, smell, texture and its financial benefit of milk products i.e. yoghurt which used modern technology versus the natural one was conducted at PT Prima Rasa, Denpasar. The research consisted of two treatments (A = modern technology and B = natural technology. The objective of the research were: 1 to study the differences of aromatic and financial benefit of yoghurt with modern technology versus the natural one, 2 to use as a reference in the future on milk products business, and 3 to increase the quantity and quality of yoghurt and income per capita in the Bali Island. In this research, yoghurt production which used modern technology (treatment A used some ingredients i.e. fresh milk, skimmed milk, starter (imported Lactic Acid Bacteria from Canada and modern equipments i.e. electric incubator for milk fermentation. While the natural technology (treatment B used a slightly different ingredients and equipments i.e. non imported starter and non electric incubator (ampel bamboo. The starter used was lactic acid bacteria naturally found in the ampel bamboo as incubator at once. The incubator was covered with aged banana leaf on the fermentation processes. These ingredients and equipments were very easy to find, available through the year and cheap. There were six replicates in each treatment. Data obtained were analyzed with t test and financial benefit was analyzed descriptively.  Results of the research showed that yoghurt aromatics which used natural technology was 14.29% significantly higher than modern one but its texture was 20.31% or significantly lower. The differences did not seem to cause difference on the taste between them. The average taste score was the same (7.1, indicating that both treatments had the same taste. The financial benefit of the natural yoghurt was much higher (90.74% than that of the modern one (127.40% versus 10.80%.   Key words: yoghurt

  17. Knowledge, Attitude, and Performance of Nurses\\' Crisis Management in Natural Disasters in Yazd City

    Directory of Open Access Journals (Sweden)

    Tahere Soltani

    2016-08-01

    Full Text Available Abstract: Introduction: Natural disasters are considered as events that are beyond human control and usually result in death and different injuries; they also significantly affect public health. The lack of proper sanitation and communal life creates numerous problems. The aim of this study was to determine the knowledge, attitudes, and performance of nurses (since nurses work more than others in disasters in disaster management. Materials & Methods: This was a cross–sectional and descriptive study. The 220 participants of this study were selected by stratified random sampling method. Data was collected by questionnaire taken from similar studies in the field of nursing whose reliability was confirmed by the relevant specialists and its validity was confirmed by Cronbach's alpha (0.83. Data analyses included Spearman test, analysis of different levels of the independent variables (Mann-Whitney, Kruskal-Wallis test or t- test, and comparing means as well as the related data (non-parametric. Results: In this study, the average age of staff was 33.94±6.4 and years of their work experience was 10.5 ±7.14. The nurses' average level of knowledge about crisis management was 13.05±5.24 out of 22.  The mean grade scores of attitude to crisis management was 28.94±3.39 out of 33, further, their function in crisis management was 45.88±6.5 out of 57. Discussion: Due to the increased frequency of occurrence and consequences of the disaster and the special role of health care services before, during, and after the occurrence of such incidents, the results were not suitable. Then, it was concluded that proper preparation is essential for nurses as the largest providers of information and health services to people, so their performance must be measured which is the objective of this study.

  18. Session 4: On-board exhaust gas reforming for improved performance of natural gas HCCI engines

    Energy Technology Data Exchange (ETDEWEB)

    Amieiro, A.; Golunski, S.; James, D. [Johnson Matthey Technology Centre, Sonning Common, Reading (United Kingdom); Miroslaw, Wyszynski; Athanasios, Megaritis; Peucheret, S. [Birmingham Univ., School of Engineering, Future Power Systems Research Group (United Kingdom); Hongming, Xu [Jaguar Cars Ltd, W/2/021 Engineering Centre, Whitley, Coventry (United Kingdom)

    2004-07-01

    Although natural gas (NG) is a non-renewable energy source, it is still a very attractive alternative fuel for transportation - it is inexpensive, abundant, and easier to refine than petroleum. Unfortunately the minimum spark energy required for NG ignition is higher than for liquid fuels, and engine performance is reduced since the higher volume of NG limits the air breathing capacity of the cylinders. On the other hand, the flammability range of NG is wider than for other hydrocarbons, so the engine can operate under leaner conditions. Environmentally, the use of NG is particularly attractive since it has a low flame temperature (resulting in reduced NO{sub x} emissions) and a low carbon content compared to diesel or gasoline (resulting in less CO, CO{sub 2} and particulate). In addition, NG is easily made sulphur-free, and has a high octane rating (RON = 110-130) which makes it suitable for high compression engine applications. Exhaust gas recirculation (EGR) into an engine is known to reduce both flame temperature and speed, and therefore produce lower NO{sub x} emissions. In general, a given volume of exhaust gas has a greater effect on flame speed and NO{sub x} emissions than the same quantity of excess air, although there is a limit to the amount of exhaust gas recirculation that can be used without inhibiting combustion. However, hydrogen addition to exhaust gas recirculation has been proved to reduce emissions while increasing flame speed, so improving both the emissions and the thermal efficiency of the engine. On-board reforming of some of the fuel, by reaction with exhaust gas during EGR, is a novel way of adding hydrogen to an engine. We have carried out reforming tests on mixtures of natural gas and exhaust gas at relatively low temperatures (400-600 C), to mimic the low availability of external heat within the integrated system. The reforming catalyst is a nickel-free formulation, containing precious metals promoted by metal oxides. The roles of

  19. Emotional intelligence and academic performance in university students of natural science

    Science.gov (United States)

    Alvarez Cuellar, Jose Habacuc

    This research presents the concept of emotional intelligence, more specifically of John D. Mayer, Peter Salovey and David R. Caruso, as an important element to be applied in learning science. It is an explanatory-correlation study between emotional intelligence and academic performance of students in natural sciences from the University of Puerto Rico, Rio Piedras campus. The population is approximately 2,539 students, with a sample of approximately 337 students. The instrument used to calculate the IE is the TMSS-24 composted of three dimensions of the original scale: Attention, Clarity and Repair. It was validated by Fernandez, B. P., Extremera, N. and Natalio, R. (2004), with reliability in Attention of (0.86), Clarity (0.90) and Repair (0.86). For the calculation of academic achievement (RA) was used an average of the courses seen by the students in the academic semester of 2007. The variables emotional intelligence and its components with academic achievement (RA), Index of general application of the student, gender, age and studies concentration were correlated but it was founded no correlation between them. It was founded a difference in the attention on gender, where it is concluded that woman express better and more the feelings than men.

  20. The nature of corporate governance and performance in the conditions of ownership concentration

    Directory of Open Access Journals (Sweden)

    Leković Božidar

    2016-01-01

    Full Text Available The central research question and purpose of this topic is oriented on the analysis of concentration scope of share capital ownership in Serbia, and their relation to corporate performance. The article also attempts to give a suitable reply to the question as to what extent the concentration of share capital ownership has changed in comparison to previous, which was formed at the beginning of the process of transition and privatisation of the public property, which was used as the foundation for forming the corporate sector. The answers to these questions will be used to point to the nature of the corporate sector in Serbia, and the degree of development of the securities market. Research methodology involves the use parametric procedures due to the characteristics of the selected variables and the number of observations in the sample. Univariate ANOVA procedures and Pearson's correlation coefficient will be used. The corporate sector in Serbia achieves positive results but does not receive adequate market verification due to extreme ownership concentration and the dominant influence of the majority, or several large shareholders. Due to the privileged position of a small number of privileged shareholders, such a situation results in the expropriation of small shareholders, who remain helpless due to underdeveloped mechanisms of legal and institutional protection.

  1. Contrast model for three-dimensional vehicles in natural lighting and search performance analysis

    Science.gov (United States)

    Witus, Gary; Gerhart, Grant R.; Ellis, R. Darin

    2001-09-01

    Ground vehicles in natural lighting tend to have significant and systematic variation in luminance through the presented area. This arises, in large part, from the vehicle surfaces having different orientations and shadowing relative to the source of illumination and the position of the observer. These systematic differences create the appearance of a structured 3D object. The 3D appearance is an important factor in search, figure-ground segregation, and object recognition. We present a contrast metric to predict search and detection performance that accounts for the 3D structure. The approach first computes the contrast of the front (or rear), side, and top surfaces. The vehicle contrast metric is the area-weighted sum of the absolute values of the contrasts of the component surfaces. The 3D structure contrast metric, together with target height, account for more than 80% of the variance in probability of detection and 75% of the variance in search time. When false alarm effects are discounted, they account for 89% of the variance in probability of detection and 95% of the variance in search time. The predictive power of the signature metric, when calibrated to half the data and evaluated against the other half, is 90% of the explanatory power.

  2. Determination of natural colorants in plant extracts by high-performance liquid chromatography

    Directory of Open Access Journals (Sweden)

    RENETA GEVRENOVA

    2010-07-01

    Full Text Available The determination of the colouring compounds apigenin (1, lawsone (2, juglone (3 and indigotin (4 in plant extracts using HPLC–UV/Vis methods is reported. The methods were applied to the analysis of 1–4 in ethanolic and propylene glycolic extracts originating, respectively, from chamomile (Chamomilla recutita [L] Rauschert, Asteraceae, henna (Lawsonia inermis L., Lythraceae, walnut (Juglans regia L., Juglandaceae and natural indigo (Indigofera sp., Fabaceae. In the case of the indigo extracts, an optimized acid hydrolysis was applied. HPLC separations were performed on a Hypersil ODS RP18 column using linear gradient elution programs. The detection limits for 1–4 were 0.11, 0.6, 0.10, 0.089 μg mL-1, respectively. The procedure did not involve any sample “clean-up” methods. The amounts of the colouring compounds ranged from 0.006 (3 to 0.13 mg mL-1 (4 in the ethanolic extracts and from 0.22 (2 to 1.44 mg mL-1 (4 in propylene glycolic extracts. The proposed HPLC methods are advantageous in terms of sample preparation and the selective separation of the compounds. The plant dye extracts are commonly used in hair colouring formulations. The results indicate that the methods developed may serve for the quantitative control of dying plants and cosmetic products.

  3. Numerical analysis of the performance of a venturi-shaped roof for natural ventilation : influence of building width

    NARCIS (Netherlands)

    Hooff, van T.A.J.; Blocken, B.J.E.; Aanen, L.; Bronsema, B.

    2012-01-01

    A numerical analysis with Computational Fluid Dynamics (CFD) is performed to investigate the influence of building width on the performance of a venturi-shaped roof (called Ventec roof) for natural ventilation. The specific roof configuration is intended to create an underpressure in the narrowest

  4. Ballistic Performance of Mallow and Jute Natural Fabrics Reinforced Epoxy Composites in Multilayered Armor

    OpenAIRE

    Nascimento, Lucio Fabio Cassiano; Louro, Luis Henrique Leme; Monteiro, Sergio Neves; Gomes, Alaelson Vieira; Marçal, Rubens Lincoln Santana Blazutti; Lima Júnior, Édio Pereira; Margem, Jean Igor

    2017-01-01

    Natural fiber reinforced polymer composites have recently been investigated as a component of multilayered armor system (MAS). These composites were found to present advantages when replacing conventional high strength synthetic aramid fabric laminate composite (KevlarTM, with same thickness, as MAS second layer. Continuous and loose natural fibers were up to now mostly used to reinforce these ballistic composites. Only two natural fabrics reinforced polymer composite were so far used with sa...

  5. Bonding with Your Baby

    Science.gov (United States)

    ... the future bonding of the child and parent. Adoptive parents may be concerned about bonding with their ... general emotional support. And it's OK to ask family members and friends for help in the days — ...

  6. Shear Bond Strength of Orthodontic Brackets Bonded to Zirconium Crowns.

    Science.gov (United States)

    Mehmeti, Blerim; Azizi, Bleron; Kelmendi, Jeta; Iljazi-Shahiqi, Donika; Alar, Željko; Anić-Milošević, Sandra

    2017-06-01

    An increasing demand for esthetic restorations has resulted in an increased use of all-ceramic restorations, such as zirconium. However, one of the challenges the orthodontist must be willing to face is how to increase bond strength between the brackets and various ceramic restorations.Bond strength can beaffected bybracket type, by the material that bracketsaremade of, and their base surface design or retention mode. ​: A im: of this study was to perform a comparative analysis of the shear bond strength (SBS) of metallic and ceramic orthodontic brackets bonded to all-zirconium ceramic surfaces used for prosthetic restorations, and also to evaluate the fracture mode of these two types of orthodontic brackets. Twenty samples/semi-crowns of all-zirconium ceramic, on which orthodontic brackets were bonded, 10 metallic and 10 ceramic polycrystalline brackets, were prepared for this research. SBS has been testedby Universal Testing Machine, with a load applied using a knife edged rod moving at a fixed rate of 1 mm/min, until failure occurred. The force required to debond the brackets was recorded in Newton, then SBS was calculated to MPa. In addition, the samples were analyzed using a digital camera magnifier to determine Adhesive Remnant Index (ARI). Statistical data were processed using t-test, and the level of significance was set at α = 0.05. Higher shear bond strength values were observed in metallic brackets bonded to zirconium crowns compared tothoseof ceramic brackets, with a significant difference. During the test, two of the ceramic brackets were partially or totally damaged. Metallic brackets, compared to ceramic polycrystalline brackets, seemed tocreate stronger adhesion with all-zirconium surfaces due to their better retention mode. Also, ceramic brackets showed higher fragility during debonding.

  7. Chemical buffering in natural and engineered barrier systems: Thermodynamic constraints and performance assessment consequences

    International Nuclear Information System (INIS)

    Arthur, R.C.; Wei Zhou

    2000-12-01

    Thermodynamic and kinetic constraints on the chemical buffering properties of natural and engineered-barrier systems are derived in this study from theoretical descriptions, incorporated in the reaction-path model, of reversible and irreversible mass transfer in multicomponent, multiphase systems. The buffering properties of such systems are conditional properties because they refer to a specific aqueous species in a system that is open with respect to a specific reactant. The solution to a mathematical statement of this concept requires evaluation of the dependence of the activity of the buffered species on incremental changes in the overall reaction-progress variable. This dependence can be represented by a truncated Taylor's series expansion, where the values of associated derivatives are calculated using finite-difference techniques and mass-balance, charge-balance and mass-action constraints. Kinetic constraints on buffering behavior can also be described if the relation between reactant flux and reaction rate is well defined. This relation is explicit for the important case of advective groundwater flow and water-rock interaction. We apply the theoretical basis of the chemical buffering concept to processes that could affect the performance of a deep geologic repository for nuclear waste. Specifically, we focus on the likelihood that an inverse relation must exist between the buffer intensity and the migration velocity of reaction fronts in systems involving advective or diffusive mass transport. A quantitative understanding of this relation would provide the basis for evaluating the potential role of chemical buffering in achieving the isolation and retardation functions, of the EBS and geosphere in a KBS-3 repository. Our preliminary evaluation of this role considers the effects of chemical buffering on the propagation velocity of a pH front in both the near- and far field. We use a geochemical modeling technique compatible with the reaction-path model to

  8. Hydrogen bond dynamics in bulk alcohols

    International Nuclear Information System (INIS)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-01-01

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics–quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid—alcohols—has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups

  9. Hydrogen bond dynamics in bulk alcohols.

    Science.gov (United States)

    Shinokita, Keisuke; Cunha, Ana V; Jansen, Thomas L C; Pshenichnikov, Maxim S

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics-quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid--alcohols--has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  10. Australia's Bond Home Bias

    OpenAIRE

    Anil V. Mishra; Umaru B. Conteh

    2014-01-01

    This paper constructs the float adjusted measure of home bias and explores the determinants of bond home bias by employing the International Monetary Fund's high quality dataset (2001 to 2009) on cross-border bond investment. The paper finds that Australian investors' prefer investing in countries with higher economic development and more developed bond markets. Exchange rate volatility appears to be an impediment for cross-border bond investment. Investors prefer investing in countries with ...

  11. Experimental study of improved HAWT performance in simulated natural wind by an active controlled multi-fan wind tunnel

    Science.gov (United States)

    Toshimitsu, Kazuhiko; Narihara, Takahiko; Kikugawa, Hironori; Akiyoshi, Arata; Kawazu, Yuuya

    2017-04-01

    The effects of turbulent intensity and vortex scale of simulated natural wind on performance of a horizontal axis wind turbine (HAWT) are mainly investigated in this paper. In particular, the unsteadiness and turbulence of wind in Japan are stronger than ones in Europe and North America in general. Hence, Japanese engineers should take account of the velocity unsteadiness of natural wind at installed open-air location to design a higher performance wind turbine. Using the originally designed five wind turbines on the basis of NACA and MEL blades, the dependencies of the wind frequency and vortex scale of the simulated natural wind are presented. As the results, the power coefficient of the newly designed MEL3-type rotor in the simulated natural wind is 130% larger than one in steady wind.

  12. Phenylacetylene and H bond

    Indian Academy of Sciences (India)

    ... all resembling H bonds. Non-linear H bonds due to secondary interactions. C-H stretching frequency shows blue shift. Heavy atom distances are longer than the sum of van der Waals radii. Formed a task group through IUPAC to come up with a modern definition of H bond. 15 international experts including Desiraju.

  13. Effect of advanced injection timing on the performance of natural gas ...

    Indian Academy of Sciences (India)

    Recent interest has centred on the use of natural gas in a diesel engine. Natural gas ... temperatures. Fuel was fed to the injector pump under gravity and the volumetric flow rate .... produce very erratic behaviour of the engine. The test results ...

  14. Chemical bond fundamental aspects of chemical bonding

    CERN Document Server

    Frenking, Gernot

    2014-01-01

    This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica

  15. Effects of feeding grains naturally contaminated with Fusarium mycotoxins on performance and metabolism of broiler breeders.

    Science.gov (United States)

    Yegani, M; Smith, T K; Leeson, S; Boermans, H J

    2006-09-01

    A study was conducted to investigate the effects of feeding grains naturally contaminated with Fusarium mycotoxins on performance and metabolism of broiler breeders. Forty-two 26-wk-old broiler breeder hens and nine 26-wk-old roosters were fed the following diets: (1) control, (2) contaminated grains, and (3) contaminated grains + 0.2% polymeric glucomannan mycotoxin adsorbent (GMA) for 12 wk. The major contaminant was deoxynivalenol (12.6 mg/kg of feed), with lesser amounts of zearalenone and 15-acetyl-deoxynivalenol. Feed consumption and BW were not affected by diet. The feeding of contaminated grains did not significantly affect egg production. Decreased eggshell thickness was seen, however, at the end of wk 4, and dietary supplementation with GMA prevented this effect. There was no effect of diet on other egg parameters measured. There was a significant increase in early (1 to 7 d) embryonic mortality in eggs from birds fed contaminated grains at wk 4, but mid- (8 to 14 d) and late- (15 to 21 d) embryonic mortalities were not affected by diet. There were no differences in newly hatched chick weights or viability. The ratio of chick weight to egg weight was not affected by the feeding of contaminated grains. Weight gains of chicks fed a standard broiler starter diet at 7, 14, and 21 d of age were not significantly affected by previous dietary treatments for the dam. It was found that rooster semen volume and sperm concentration, viability, and motility were not affected by the feeding of contaminated diets. There was no effect of diet on the relative weights of liver, spleen, kidney, and testes. The feeding of contaminated grains decreased antibody titers against infectious bronchitis virus at the end of wk 12, and this was prevented by dietary supplementation with GMA. There was no effect of the diet on serum antibody titers against Newcastle disease virus. It was concluded that the feeding of blends of grains contaminated with Fusarium mycotoxins could affect

  16. Molecular structure, vibrational spectroscopic studies and natural

    Indian Academy of Sciences (India)

    The entropy of the title compound was also performed at HF using the hybrid functional BLYP and B3LYP with 6-31 G(d,p) as basis set levels of theory. Natural bond orbital (NBO) analysis of the title molecule is also carried out. The theoretical spectrogram for FTIR spectra of the title molecule has been constructed.

  17. The investigation of influence of adhesion promoters on adhesion bond between vulcanisate and zinc coated steel cord in products based on mixtures of natural and 1,4-cis-polybutadiene rubber

    Directory of Open Access Journals (Sweden)

    Gojić Mirko T.

    2007-01-01

    Full Text Available The mixtures of elastomer compounds based on natural and 1,4-cispolybutadiene rubber of 80:20 ratio, were used for the investigation of adhesion promoters influence on adhesion of vulcanisate to steel cord. Ni-stearate and resorsynol-formaldehyde resin combined with hexamethylenetetramine in various mass ratios were included as adhesion promoters. Elastomer mixtures were prepared using a laboratory double mill, and the rheological and vulcanization characteristics were examined on a vulcameter provided with an oscillating disc, a higher temperature of 145 °C. The crosslinking of the mixture was carried out by press, at a temperature of 145 °C and specific pressure of 40 bar, in period of 45 minutes. A wide number of standardized methods for physical mechanical characterization of vulcanization prior and after accelerated aging were used. The adhesion of vulcanizate bond with zinc coated steel cord was determined according to the so called H-test, by measuring the pulling-out force of the cord from the vulcanized block, and the degree of coverage of cord with vulcanizate after separation. The results of examinations show significant dependence of physico-mechanical characteristics and adhesion forces on the type and amount of used adhesion promoters in experimental elastomer mixtures.

  18. A Cat Bond Premium Puzzle?

    OpenAIRE

    Vivek J. Bantwal; Howard C. Kunreuther

    1999-01-01

    Catastrophe Bonds whose payoffs are tied to the occurrence of natural disasters offer insurers the ability to hedge event risk through the capital markets that could otherwise leave them insolvent if concentrated solely on their own balance sheets. At the same time, they offer investors a unique opportunity to enhance their portfolios with an asset that provides an attractive return that is uncorrelated with typical financial securities Despite its attractiveness, spreads in this market remai...

  19. Natural emulsifiers - Biosurfactants, phospholipids, biopolymers, and colloidal particles: Molecular and physicochemical basis of functional performance.

    Science.gov (United States)

    McClements, David Julian; Gumus, Cansu Ekin

    2016-08-01

    There is increasing consumer pressure for commercial products that are more natural, sustainable, and environmentally friendly, including foods, cosmetics, detergents, and personal care products. Industry has responded by trying to identify natural alternatives to synthetic functional ingredients within these products. The focus of this review article is on the replacement of synthetic surfactants with natural emulsifiers, such as amphiphilic proteins, polysaccharides, biosurfactants, phospholipids, and bioparticles. In particular, the physicochemical basis of emulsion formation and stabilization by natural emulsifiers is discussed, and the benefits and limitations of different natural emulsifiers are compared. Surface-active polysaccharides typically have to be used at relatively high levels to produce small droplets, but the droplets formed are highly resistant to environmental changes. Conversely, surface-active proteins are typically utilized at low levels, but the droplets formed are highly sensitive to changes in pH, ionic strength, and temperature. Certain phospholipids are capable of producing small oil droplets during homogenization, but again the droplets formed are highly sensitive to changes in environmental conditions. Biosurfactants (saponins) can be utilized at low levels to form fine oil droplets that remain stable over a range of environmental conditions. Some nature-derived nanoparticles (e.g., cellulose, chitosan, and starch) are effective at stabilizing emulsions containing relatively large oil droplets. Future research is encouraged to identify, isolate, purify, and characterize new types of natural emulsifier, and to test their efficacy in food, cosmetic, detergent, personal care, and other products. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Performance of local correlation methods for halogen bonding: The case of Br2-(H2O)n,n = 4,5 clusters and Br2@5(12)6(2) clathrate cage.

    Science.gov (United States)

    Batista-Romero, Fidel A; Pajón-Suárez, Pedro; Bernal-Uruchurtu, Margarita I; Hernández-Lamoneda, Ramón

    2015-09-07

    The performance of local correlation methods is examined for the interactions present in clusters of bromine with water where the combined effect of hydrogen bonding (HB), halogen bonding (XB), and hydrogen-halogen (HX) interactions lead to many interesting properties. Local methods reproduce all the subtleties involved such as many-body effects and dispersion contributions provided that specific methodological steps are followed. Additionally, they predict optimized geometries that are nearly free of basis set superposition error that lead to improved estimates of spectroscopic properties. Taking advantage of the local correlation energy partitioning scheme, we compare the different interaction environments present in small clusters and those inside the 5(12)6(2) clathrate cage. This analysis allows a clear identification of the reasons supporting the use of local methods for large systems where non-covalent interactions play a key role.

  1. Generalized bond percolation and statistical mechanics

    International Nuclear Information System (INIS)

    Tsallis, C.

    1978-05-01

    A generalization of traditional bond percolation is performed, in the sens that bonds have now the possibility of partially transmitting the information (a fact which leads to the concept of 'fidelity' of the bond), and also in the sens that, besides the normal tendency to equiprobability, the bonds are allowed to substantially change the information. Furthermore the fidelity is allowed, to become an aleatory variable, and the operational rules concerning the associated distribution laws are determined. Thermally quenched random bonds and the whole body of Statistical Mechanics become particular cases of this formalism, which is in general adapted to the treatment of all problems whose main characteristic is to preserve a part of the information through a long path or array (critical phenomena, regime changements, thermal random models, etc). Operationally it provides a quick method for the calculation of the equivalent probability of complex clusters within the traditional bond percolation problem [pt

  2. The Eco-Innovation Variables which Influence the Performance of Creative Industries Center of Natural Stone Crafts

    Directory of Open Access Journals (Sweden)

    Murti Astuti

    2018-01-01

    Full Text Available This study investigates the eco-innovation variable which has the significant effecton creative industries center’s performance of marble and natural stone craft sector in Tulungagung, Indonesia. The object of the study is the creative industries center with the non-renewable raw material. Mostly, the companies are in form of small and medium-sized enterprises (SMEs which is ‘passive eco-innovator’ and their eco-innovation variables have not been investigated before in terms of their influenceon their performance. The respondents were 81 craftsmen taken from the population. The data were collected through questionnaires which were tested, processed and analyzed by using Consistent Partial Least Square (PLSc. The eco-innovation variables which significantly effecton innovative performance are eco-organizational innovation and eco-product innovation. Eco-process innovation and eco-marketing innovation don’t directly affecton innovative performance, but its significant effecton eco-product innovation may influence innovative performance. Improving innovative performance will impact on financial performance through improvement of production performance, but market performance does not significantly affect financial performance. The findings of this study could be a reference for creative industries center’s of marble and natural stone craft sector to prioritize which type of eco-innovation should be improved so that its impact on performance is more significant

  3. Experimental study of the influence of atmospheric conditions on the performance of natural draft dry cooling towers

    International Nuclear Information System (INIS)

    Markoczy, G.; Staempfli, E.

    1977-08-01

    The heat dissipation of cooling towers is influenced by atmospheric conditions. In order to establish these influences EIR conducted measurements on a natural draft dry cooling tower. During two measuring campaigns with a duration of total 10 weeks the performance of the cooling tower, the ambient air temperatures, the wind velocities and directions as well as air temperature at the top of the tower and in front of the heat exchangers were continuously measured and registered. The results achieved enable the quantitative description of the influence of the ambient air temperature, wind and temperature inversion on the performance of natural draft dry cooling towers. (Auth.)

  4. 40 CFR 280.98 - Surety bond.

    Science.gov (United States)

    2010-07-01

    ...: Performance Bond Date bond executed: Period of coverage: Principal: [legal name and business address of owner... “corporation”] State of incorporation (if applicable): Surety(ies): [name(s) and business address(es)] Scope of...) shall not be discharged by any payment or succession of payments hereunder, unless and until such...

  5. 30 CFR 800.30 - Replacement of bonds.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 3 2010-07-01 2010-07-01 false Replacement of bonds. 800.30 Section 800.30... REQUIREMENTS FOR SURFACE COAL MINING AND RECLAMATION OPERATIONS UNDER REGULATORY PROGRAMS § 800.30 Replacement... replacement performance bonds. Replacement of a performance bond pursuant to this section shall not constitute...

  6. Design and performance of a rule-based controller in a naturally ventilated room

    OpenAIRE

    Marjanovic-Halburd, Ljiljana; Angelov, P.; Eftekhari, M. M.

    2003-01-01

    This paper reflects the final phase of the EPSRC project, and the PhD work of Marjanovic, on rule-based control in naturally ventilated buildings. Marjanovic is the second author. Eftekhari was her PhD supervisor.

  7. A Study of Bond of Structural Timber and Carbon Fiber Reinforced Polymer Plate

    Directory of Open Access Journals (Sweden)

    Yongtaeg LEE

    2015-11-01

    Full Text Available The increase of well-being culture of problem related to environmental depletion of resource is not the growing interest in timber the natural material of construction markets. Also, the perception for historic preservation has been increased in respond to heightened interest. However, it is fairly difficult for architectural properties to maintain their durability because it was made by timber construction. Preventing traditional structure from damage and structural performance reduction is paramount in maintenance problem. A number of studies of reinforced method have been conducted in order to solve such a problem. In this paper, external bonded reinforcement and near-surface mounted was used as a way to reinforce timber structure’s durability. Bond strength for specimens with different bond length was investigated. As a result showed, maximum bond strength in bond length 300 mm from all method, was found to be not increased of bond strength over the certain bond length.DOI: http://dx.doi.org/10.5755/j01.ms.21.4.9702

  8. Chemical buffering in natural and engineered barrier systems: Thermodynamic constraints and performance assessment consequences

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.C.; Wei Zhou [Monitor Scientific, LLC, Denver, CO (United States)

    2000-12-01

    Thermodynamic and kinetic constraints on the chemical buffering properties of natural and engineered-barrier systems are derived in this study from theoretical descriptions, incorporated in the reaction-path model, of reversible and irreversible mass transfer in multicomponent, multiphase systems. The buffering properties of such systems are conditional properties because they refer to a specific aqueous species in a system that is open with respect to a specific reactant. The solution to a mathematical statement of this concept requires evaluation of the dependence of the activity of the buffered species on incremental changes in the overall reaction-progress variable. This dependence can be represented by a truncated Taylor's series expansion, where the values of associated derivatives are calculated using finite-difference techniques and mass-balance, charge-balance and mass-action constraints. Kinetic constraints on buffering behavior can also be described if the relation between reactant flux and reaction rate is well defined. This relation is explicit for the important case of advective groundwater flow and water-rock interaction. We apply the theoretical basis of the chemical buffering concept to processes that could affect the performance of a deep geologic repository for nuclear waste. Specifically, we focus on the likelihood that an inverse relation must exist between the buffer intensity and the migration velocity of reaction fronts in systems involving advective or diffusive mass transport. A quantitative understanding of this relation would provide the basis for evaluating the potential role of chemical buffering in achieving the isolation and retardation functions, of the EBS and geosphere in a KBS-3 repository. Our preliminary evaluation of this role considers the effects of chemical buffering on the propagation velocity of a pH front in both the near- and far field. We use a geochemical modeling technique compatible with the reaction-path model

  9. Experimental study on the dynamic performance of a novel system combining natural ventilation with diffuse ceiling inlet and TABS

    DEFF Research Database (Denmark)

    Yu, Tao; Heiselberg, Per Kvols; Lei, Bo

    2016-01-01

    Highlights • Dynamic experiments are performed to study energy performance of a new HVAC system. • Designed control strategies show good utilization of natural ventilation cooling. • TABS work well with the diffuse ceiling in the dynamic measurements. • No local thermal comfort problem is found...... even in the extreme winter case. • Designed control strategies can be used in the future application of this system....

  10. A concept of external aerodynamic elements in improving the performance of natural smoke ventilation in wind conditions

    Science.gov (United States)

    Wegrzyński, Wojciech; Krajewski, Grzegorz; Kimbar, Grzegorz

    2018-01-01

    This paper is a proposal of a new device that may be used as a component of natural smoke ventilation systems - an external aerodynamic baffle used to limit the wind effect at the most adverse angle. Natural ventilation is not only affected by the external wind, but also dependent on the angle of wind attack. It has been proven, that at angles between 45° to 60° the performance of such device is the lowest. This is the reason why additional device is proposed - external baffle that could hypothetically increase the performance at chosen angles. The purpose of this paper is to explore this idea by numerical modelling of such external elements on a validated natural ventilator model, with use of ANSYS® Fluent® CFD model.

  11. High-performance liquid chromatography-mass spectrometry-based acetylcholinesterase assay for the screening of inhibitors in natural extracts

    NARCIS (Netherlands)

    de Jong, C.F.; Derks, R.J.E.; Bruyneel, B.; Niessen, W.M.A.; Irth, H.

    2006-01-01

    The present paper describes a High-performance liquid chromatography-mass spectrometry (LC-MS) methodology for the screening of acetylcholinesterase (AChE) inhibitors in natural extracts. AChE activity of sample components is monitored by a post-column biochemical assay that is based on the

  12. 3rd symposium on high-efficiency boiler technology: potential, performance, shortcomings of natural gas fuelled high-efficiency boilers

    International Nuclear Information System (INIS)

    1993-01-01

    The brochure contains abstracts of the papers presented at the symposium. The potential, performance and marketing problems of natural gas high-efficiency boiler systems are outlined, and new ideas are presented for gas utilities, producers of appliances, fitters, and chimneysweeps. 13 papers are available as separate regards in this database. (HW) [de

  13. Optically stimulated luminescence dosimetry performance of natural Brazilian topaz exposed to beta radiation

    International Nuclear Information System (INIS)

    Bernal, R.; Souza, D. N.; Valerio, M. E. G.; Cruz-Vazquez, C.; Barboza-Flores, M.

    2006-01-01

    Optically stimulated luminescence (OSL) has become the technique of choice in many areas of dosimetry. Natural materials like topaz are available in large quantities in Brazil and other countries. They have been studied to investigate the possibility of use its thermoluminescence (TL) properties for dosimetric applications. In this work, we investigate the possibility of utilising the OSL properties of natural Brazilian topaz in dosimetry. Bulk topaz samples were exposed to doses up to 100 Gy of beta radiation and the integrated OSL as a function of the dose showed linear behaviour. The fading occurs in the first 20 min after irradiation but it is <6% of the integrated OSL measured shortly after exposure. We conclude that natural colourless topaz is a very suitable phosphor for OSL dosimetry. (authors)

  14. High-Performance Epoxy-Resin-Bonded Magnets Produced from the Sm2Fe17Nx Powders Coated by Copper and Zinc Metals

    Science.gov (United States)

    Noguchi, Kenji; Machida, Ken-ichi; Adachi, Gin-ya

    2001-04-01

    Fine powders of Sm2Fe17Nx coated with copper metal reduced from CuCl2 and/or zinc metal subsequently derived by photo-decomposition of diethylzinc [Zn(C2H5)2] were prepared, and their magnetic properties were characterized in addition to those of epoxy-resin-bonded magnets produced from the coated powders (Cu/Sm2Fe17Nx, Zn/Sm2Fe17Nx and Zn/Cu/Sm2Fe17Nx). The remanence (Br) and maximum energy product [(\\mathit{BH})max] of double metal-coated Zn/Cu/Sm2Fe17Nx powders were maintained at higher levels than those of single Zn metal-coated Sm2Fe17Nx ones (Zn/Sm2Fe17Nx) even after heat treatment at 673 K since the oxidation resistance and thermal stability were effectively improved by formation of the thick and uniform protection layer on the surface of Sm2Fe17Nx particles. Moreover, the epoxy-resin-bonded magnets produced from the Zn/Cu/Sm2Fe17Nx powders possessed good corrosion resistance in air at 393 K which it resulted in the smaller thermal irreversible flux loss than that of uncoated and single Zn metal-coated Sm2Fe17Nx powders in the temperature range of above 393 K.

  15. The Cost of Immediacy for Corporate Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Marco, Rossi

    Liquidity provision in the corporate bond market has become significantly more expensive after the 2008 credit crisis. Using index exclusions as a natural experiment during which uninformed index trackers request immediacy, we find that the price of immediacy has doubled for short-term investment...... grade bonds, and more than tripled for speculative-grade bonds. The increased cost of immediacy is a side-effect of a ban on proprietary trading (Volker Rule) and tighter post-crisis capital regulations, which have resulted in lower aggregate dealer inventories....

  16. Comparative study on thermal performance of natural draft cooling towers with finned shells

    Energy Technology Data Exchange (ETDEWEB)

    Goodarzi, Mohsen [Bu-Ali Sina Univ., Hamedan (Iran, Islamic Republic of). Dept. of Mechanical Engineering

    2016-10-15

    The cooling efficiency of natural draft cooling towers under crosswind condition should be improved. In the present research work three different externally finned shells were considered for a typical natural draft cooling tower to investigate the cooling improvement. They were numerically simulated under normal and crosswind conditions. Numerical results show that twisting four fin plates over the tower shell along the 45 peripheral angle, could improve the cooling efficiency up to 6.5 %. Because of the periodic shape of the fin plates, the cooling efficiency of the cooling tower with finned shell is less sensitive to the change of wind.

  17. Comparative study on thermal performance of natural draft cooling towers with finned shells

    International Nuclear Information System (INIS)

    Goodarzi, Mohsen

    2016-01-01

    The cooling efficiency of natural draft cooling towers under crosswind condition should be improved. In the present research work three different externally finned shells were considered for a typical natural draft cooling tower to investigate the cooling improvement. They were numerically simulated under normal and crosswind conditions. Numerical results show that twisting four fin plates over the tower shell along the 45 peripheral angle, could improve the cooling efficiency up to 6.5 %. Because of the periodic shape of the fin plates, the cooling efficiency of the cooling tower with finned shell is less sensitive to the change of wind.

  18. Bond-Slip Relationship for CFRP Sheets Externally Bonded to Concrete under Cyclic Loading.

    Science.gov (United States)

    Li, Ke; Cao, Shuangyin; Yang, Yue; Zhu, Juntao

    2018-02-26

    The objective of this paper was to explore the bond-slip relationship between carbon fiber-reinforced polymer (CFRP) sheets and concrete under cyclic loading through experimental and analytical approaches. Modified beam tests were performed in order to gain insight into the bond-slip relationship under static and cyclic loading. The test variables are the CFRP-to-concrete width ratio, and the bond length of the CFRP sheets. An analysis of the test results in this paper and existing test results indicated that the slope of the ascending segment of the bond-slip curve decreased with an increase in the number of load cycles, but the slip corresponding to the maximum shear stress was almost invariable as the number of load cycles increased. In addition, the rate of reduction in the slope of the ascending range of the bond-slip curve during cyclic loading decreased as the concrete strength increased, and increased as the load level or CFRP-to-concrete width ratio enhanced. However, these were not affected by variations in bond length if the residual bond length was longer than the effective bond length. A bilinear bond-slip model for CFRP sheets that are externally bonded to concrete under cyclic loading, which considered the effects of the cyclic load level, concrete strength, and CFRP-to-concrete ratio, was developed based on the existing static bond-slip model. The accuracy of this proposed model was verified by a comparison between this proposed model and test results.

  19. Enamel and dentin bond strength following gaseous ozone application.

    Science.gov (United States)

    Cadenaro, Milena; Delise, Chiara; Antoniollo, Francesca; Navarra, Ottavia Chiara; Di Lenarda, Roberto; Breschi, Lorenzo

    2009-08-01

    To evaluate the effects of gaseous ozone application on enamel and dentin bond strength produced by two self-etching adhesive systems. The shear bond strength test was conducted to assess adhesion on enamel (protocol 1), while the microtensile bond strength test was performed on dentin (protocol 2). Protocol 1: 96 bovine incisors were randomly divided into 4 groups, and enamel surfaces were bonded in accordance with the following treatments: (1E) ozone + Clearfil Protect Bond; (2E) Clearfil Protect Bond (control); (3E) ozone + Xeno III; (4E) Xeno III (control). Ozone gas was applied for 80 s. Shear bond strength was measured with a universal testing machine. Protocol 2: 40 noncarious human molars were selected. Middle/deep dentin was exposed and bonded in accordance with the following treatments: (1D) ozone+Clearfil Protect Bond; (2D) Clearfil Protect Bond (control); (3D) ozone+Xeno III (4D) Xeno III (control). Four-mm-thick buildups were built on the adhesives, then specimens were sectioned in accordance with the nontrimming technique. Specimens were stressed until failure occurred, and failure modes were analyzed. Shear bond and microtensile bond strength data were analyzed using two-way ANOVA and Tukey's post-hoc test. No statistical differences were found between ozone treated specimens and controls, neither on enamel nor on dentin irrespective of the tested adhesive. Clearfil Protect Bond showed higher bond strength to enamel than Xeno III, irrespective of the ozone treatment (p enamel and dentin bond strength.

  20. Improving performance of two-phase natural circulation loops by reducing of entropy generation

    International Nuclear Information System (INIS)

    Goudarzi, N.; Talebi, S.

    2015-01-01

    This paper aims to investigate the effects of various parameters on stability behavior and entropy generation through a two-phase natural circulation loop. Two-phase natural circulation systems have low driving head and, consequently, low heat removal capability. To have a higher thermodynamic efficiency, in addition to the stability analysis, minimization of entropy generation by loop should be taken into account in the design of these systems. In the present study, to investigate the stability behavior, the non-linear method (known as the direct solution method or time domain method) which is able to simulate the uniform and non-uniform diameter loops, was applied. To best calculate entropy generation rates, the governing equations of the entropy generation were solved analytically. The effects of various parameters such as operating conditions and geometrical dimensions on the stability behavior and the entropy generation in the two-phase natural circulation loop were then analyzed. - Highlights: • Effects of all important parameters on entropy generation of a loop are studied. • The governing equations of the entropy generation are solved analytically. • Effects of all important parameters on stability of a loop are investigated. • Improvement of two-phase natural circulation loop is investigated.

  1. Integral test facilities for validation of the performance of passive safety systems and natural circulation

    International Nuclear Information System (INIS)

    Choi, J. H.

    2010-10-01

    Passive safety systems are becoming an important component in advanced reactor designs. This has led to an international interest in examining natural circulation phenomena as this may play an important role in the operation of these passive safety systems. Understanding reactor system behaviour is a challenging process due to the complex interactions between components and associated phenomena. Properly scaled integral test facilities can be used to explore these complex interactions. In addition, system analysis computer codes can be used as predictive tools in understanding the complex reactor system behaviour. However, before the application of system analysis computer codes for reactor design, it is capability in making predictions needs to be validated against the experimental data from a properly scaled integral test facility. The IAEA has organized a coordinated research project (CRP) on natural circulation phenomena, modeling and reliability of passive systems that utilize natural circulation. This paper is a part of research results from this CRP and describes representative international integral test facilities that can be used for data collection for reactor types in which natural circulation may play an important role. Example experiments were described along with the analyses of these example cases in order to examine the ability of system codes to model the phenomena that are occurring in the test facilities. (Author)

  2. Effects of CO 2 on a High Performance Hollow-Fiber Membrane for Natural Gas Purification

    KAUST Repository

    Omole, Imona C.; Adams, Ryan T.; Miller, Stephen J.; Koros, William J.

    2010-01-01

    A 6FDA-based, cross-linkable polyimide was characterized in the form of a defect-free asymmetric hollow-fiber membrane. The novel membrane was cross-linked at various temperatures and tested for natural gas purification in the presence of high CO2

  3. Experimental and numerical study on natural ventilation performance of various multi-opening wind catchers

    NARCIS (Netherlands)

    Montazeri, H.

    2011-01-01

    Wind catcher as a natural ventilation system is increasingly used in modern buildings to minimize the consumption of non-renewable energy and reduce the harmful emissions. Height, cross section of the air passages and also place and the number of openings are the main factors which affect the

  4. BONDING ALUMINUM METALS

    Science.gov (United States)

    Noland, R.A.; Walker, D.E.

    1961-06-13

    A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.

  5. Copper wire bonding

    CERN Document Server

    Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G

    2014-01-01

    This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks.  Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material.  However, copper wire bonding has several process and reliability concerns due to its material properties.  Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation.  In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed.  The book also discusses best practices and re...

  6. Nitrilotris(methylenephosphonato)potassium K[μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3}H{sub 4}]: Synthesis, structure, and the nature of the K–O chemical bond

    Energy Technology Data Exchange (ETDEWEB)

    Somov, N. V., E-mail: somov@phys.unn.ru [Lobachevsky State University of Nizhni Novgorod (Russian Federation); Chausov, F. F., E-mail: xps@ftiudm.ru [Russian Academy of Sciences, Physical-Technical Institute, Ural Branch (Russian Federation); Zakirova, R. M., E-mail: ftt@udsu.ru [Udmurt State University (Russian Federation)

    2016-07-15

    The crystal structure of nitrilotris(methylenephosphonato)potassium K[μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3}H{sub 4}]—a three-dimensional coordination polymer—was determined. The potassium atom is coordinated by seven oxygen atoms belonging to the six nearest ligand molecules, resulting in distorted monocapped octahedral coordination geometry. The complex contains the four-membered chelate ring K–O–P–O. The K–O chemical bond is predominantly ionic. Meanwhile, the bonds of the potassium atom with some oxygen atoms have a noticeable covalent component. In addition to coordination bonds, the molecules in the crystal packing are linked by hydrogen bonds.

  7. The Natural Science Institute for Teachers of Minority Students: Performance report

    Energy Technology Data Exchange (ETDEWEB)

    Ervin, C.J.

    1995-02-01

    The purpose of the Natural Science Institute for Teachers of Minority Students is to enhance the science knowledge and skills of grades four through twelve science teachers in the District of Columbia Public Schools. The Institute brings school teachers together with practicing scientists and experienced science educators who are currently doing or involved in research and publication, especially in the area of global change. Special emphasis is placed on the interdisciplinary nature of science and the part played by the understanding and teaching about the dynamics of the environment and global change. In addition to these goals, teachers will learn a number of successful alternate strategies for teaching science to minority, disabled and non-English speaking students.

  8. Optical properties of natural dyes on the dye-sensitized solar cells (DSSC) performance

    International Nuclear Information System (INIS)

    Pratiwi, D. D.; Nurosyid, F.; Supriyanto, A.; Suryana, R.

    2016-01-01

    This study reported several natural dyes for application in dye-sensitized solar cells (DSSC). This study aims was to determine the effect of optical absorption properties of natural dyes on efficiency of DSSC. The sandwich structure of DSSC consist of TiO 2 as working electrode, carbon layer as counter electrode, natural dyes as photosensitizer, and electrolyte as electron transfer media. The natural dyes used in this experiment were extracted from dragon fruit anthocyanin, mangosteen peels anthocyanin, and red cabbage anthocyanin. The absorbance of dyes solutions and the adsorption of the dye on the surface of TiO 2 were characterized using UV-Vis spectrophotometer, the quantum efficiency versus wavelength was characterized using incident photon-to-current efficiency (IPCE) measurement system, and the efficiency of DSSC was calculated using I-V meter. UV-Vis characteristic curves showed that wavelength absorption of anthocyanin dye of red cabbage was 450 - 580 nm, anthocyanin of mangosteen peels was 400 - 480 nm, and anthocyanin of dragon fruit was 400 - 650 nm. Absorption spectra of the dye adsorption on the surface of TiO 2 which was resulted in the highest absorbance of red cabbage anthocyanin. IPCE characteristic curves with anthocyanin dye of red cabbage, mangosteen peels anthocyanin, and dragon fruit anthocyanin resulted quantum efficiency of 0.058%; 0.047%; and 0.043%, respectively at wavelength maximum about 430 nm. I-V characteristic curves with anthocyanin dye of red cabbage, mangosteen peels anthocyanin, and dragon fruit anthocyanin resulted efficiency of 0.054%; 0.042%; and 0.024%, respectively. (paper)

  9. The performances of natural gas infrared radiation in paints baking; Les performances de l`infrarouge gaz pour la cuisson des peintures

    Energy Technology Data Exchange (ETDEWEB)

    Lourdou, I. [Gaz de France, 75 - Paris (France). Centre d`essais de recherches sur les utilisations du gaz

    1998-04-01

    The direction of research of Gaz de France (GdF) company, in association with the centre for technical studies of aeraulic and thermal industries (CETIAT), has carried out infrared radiation baking tests on real painted parts using natural gas burners. Tests were performed on the Erica test facility. The development of the use of infrared gas burners in the mechanical industry requires an optimum use of this technology in the baking cycle. (J.S.)

  10. Evidence for phosphorus bonding in phosphorus trichloride-methanol adduct: a matrix isolation infrared and ab initio computational study.

    Science.gov (United States)

    Joshi, Prasad Ramesh; Ramanathan, N; Sundararajan, K; Sankaran, K

    2015-04-09

    The weak interaction between PCl3 and CH3OH was investigated using matrix isolation infrared spectroscopy and ab initio computations. In a nitrogen matrix at low temperature, the noncovalent adduct was generated and characterized using Fourier transform infrared spectroscopy. Computations were performed at B3LYP/6-311++G(d,p), B3LYP/aug-cc-pVDZ, and MP2/6-311++G(d,p) levels of theory to optimize the possible geometries of PCl3-CH3OH adducts. Computations revealed two minima on the potential energy surface, of which, the global minimum is stabilized by a noncovalent P···O interaction, known as a pnictogen bonding (phosphorus bonding or P-bonding). The local minimum corresponded to a cyclic adduct, stabilized by the conventional hydrogen bonding (Cl···H-O and Cl···H-C interactions). Experimentally, 1:1 P-bonded PCl3-CH3OH adduct in nitrogen matrix was identified, where shifts in the P-Cl modes of PCl3, O-C, and O-H modes of CH3OH submolecules were observed. The observed vibrational frequencies of the P-bonded adduct in a nitrogen matrix agreed well with the computed frequencies. Furthermore, computations also predicted that the P-bonded adduct is stronger than H-bonded adduct by ∼1.56 kcal/mol. Atoms in molecules and natural bond orbital analyses were performed to understand the nature of interactions and effect of charge transfer interaction on the stability of the adducts.

  11. Effects of herbage intake on goat performance in the mediterranean type natural pastures.

    Science.gov (United States)

    Hakyemez, Basri H; Gokkus, Ahmet; Savas, Turker; Yurtman, Ismail Y

    2009-02-01

    This study aimed at identifying changes in natural pastures during the grazing season and investigating the effects of these changes on pasture feeding potential for high yielding dairy goats. During the study, 12 dairy goats were grazed on a 1.5 ha natural pasture for three months from April to June in 2003, 2004 and 2005. The goats were fed 0.5 kg/day of concentrate as a supplement during the grazing season. Botanical composition, herbage production and intake, crude protein (CP), neutral detergent fiber (NDF) and acid detergent fiber (ADF) contents of the pasture were determined. Live weight, milk yield, milk dry matter (DM) and fat content of the goats were monitored. The data were analyzed using a linear model, which evaluated the effects of grazing seasons in each year. Based on the three-year average, 87% of pasture was herbaceous plants and the remaining was shrubs in DM basis with Cistus creticus, Quercus ithaburensis, Pistacia atlantica and Asparagus acutifolius being the major shrub species. The herbage yield in June was significantly lower than in other months in all years (P = 0.001). In all experimental years, the CP content of the pasture decreased but the structural carbohydrates increased as the grazing season proceeded. While live weight was not affected by grazing periods except for 2004 (P = 0.001), milk yield significantly decreased with advancing grazing period (P = 0.001). The results of the present study indicate that natural pasture has a supportive effect in April and May on the milk yield of lactating goats which are in mid-lactation, and suggested that supplementary feeding is required in consecutive grazing periods.

  12. The Effects of Natural Locomotion on Maneuvering Task Performance in Virtual and Real Environments

    National Research Council Canada - National Science Library

    Unguder, Eray

    2001-01-01

    ... treadmill. The motivation for the development of locomotion devices thus far has been driven by the assumption that a The "perfect" device will result in human performance levels comparable to the real world...

  13. Transversely Compressed Bonded Joints

    DEFF Research Database (Denmark)

    Hansen, Christian Skodborg; Schmidt, Jacob Wittrup; Stang, Henrik

    2012-01-01

    The load capacity of bonded joints can be increased if transverse pressure is applied at the interface. The transverse pressure is assumed to introduce a Coulomb-friction contribution to the cohesive law for the interface. Response and load capacity for a bonded single-lap joint was derived using...

  14. Performance of a diesel engine transformed to spark ignition using natural gas; Desempenho de um motor diesel convertido para utilizacao de gas natural como combustivel

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez, Ricardo H.R. [Coordenacao dos Programas de Pos-Graduacao de Engenharia (LEDAV/COPPE/UFRJ), RJ (Brazil). Lab. de Ensaios Dinamicos e Analise de Vibracao; Belchior, Carlos R.P. [Coordenacao dos Programas de Pos-Graduacao de Engenharia (LMT/COPPE/UFRJ), RJ (Brazil). Lab. de Maquinas Termicas; Sodre, Jose Ricardo [Pontificia Universidade Catolica de Minas Gerais (PUC/Minas), MG (Brazil)

    2012-07-01

    A zero-dimensional thermodynamic model for a diesel engine converted for dedicated use of natural gas was developed in this work. The computational model covers from the time of closing the inlet valve to the time of opening the exhaust valve and it was divided into three stages (compression, combustion and expansion). A model based on the first law of thermodynamics for closed cycle has been developed to study the performance of the engine. The combustion process was modeled using the equation of Wiebe. It was taken into consideration the convective heat transfer through the walls of the cylinder and the heat transfer coefficient was calculated by the Eichelberg correlation. It was also considered that the thermodynamic properties vary with temperature. To represent the gas mixture behavior inside the cylinder two approaches (Ideal Gas Equation and Van Der Waals's Real Gas Equation) were used and results compared. The computational model was validated with experimental tests. (author)

  15. Effects of natural gas composition on performance and regulated, greenhouse gas and particulate emissions in spark-ignition engines

    International Nuclear Information System (INIS)

    Amirante, R.; Distaso, E.; Di Iorio, S.; Sementa, P.; Tamburrano, P.; Vaglieco, B.M.; Reitz, R.D.

    2017-01-01

    Highlights: • The influence of natural gas composition is investigated. • Real-time methane/propane fuel mixtures were realized. • IMEP, HRR and MBF were used to evaluate the effects on engine performance. • Gaseous, greenhouse and Particulate emissions were studied. • The propane content strongly influenced performance and emissions. - Abstract: In vehicles fueled with compressed natural gas, a variation in the fuel composition can have non-negligible effects on their performance, as well as on their emissions. The present work aimed to provide more insight on this crucial aspect by performing experiments on a single-cylinder port-fuel injected spark-ignition engine. In particular, methane/propane mixtures were realized to isolate the effects of a variation of the main constituents in natural gas on engine performance and associated pollutant emissions. The propane volume fraction was varied from 10 to 40%. Using an experimental procedure designed and validated to obtain precise real-time mixture fractions to inject directly into the intake manifold. Indicative Mean Effective Pressure, Heat Release Rate and Mass Burned Fraction were used to evaluate the effects on engine performance. Gaseous emissions were measured as well. Particulate Mass, Number and Size Distributions were analyzed with the aim to identify possible correlations existing between fuel composition and soot emissions. Emissions samples were taken from the exhaust flow, just downstream of the valves. Opacity was measured downstream the Three-Way Catalyst. Three different engine speeds were investigated, namely 2000, 3000 and 4000 rpm. Stoichiometric and full load conditions were considered in all tests. The results were compared with pure methane and propane, as well as with natural gas. The results indicated that both performance and emissions were strongly influenced by the variation of the propane content. Increasing the propane fraction favored more complete combustion and increased NO

  16. Corrosion Protection Performance of Polyester-Melamine Coating with Natural Wood Fiber Using EIS Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Shin, PyongHwa; Shon, MinYoung [Pukyong National University, Busan (Korea, Republic of); Jo, DuHwan [POSCO, Gwangyang (Korea, Republic of)

    2016-04-15

    In the present study, polyester-melamine coating systems with natural wood fiber (NWF) were prepared and the effects of NWF on the corrosion protectiveness of the polyester-melamine coating were examined using EIS analysis. From the results, higher average surface roughness was observed with increase of NWF content. Water diffusivity and water uptake into the polyester-melamine coatings with NWF were much higher than that into the pure polyester-melamine coating. The decrease in the impedance modulus |Z| was associated with the localized corrosion on carbon steel, confirming that corrosion protection of the polyester-melamine coatings with NWF well agrees with its water transport behavior.

  17. Natural-gas futures: Bias, predictive performance, and the theory of storage

    Energy Technology Data Exchange (ETDEWEB)

    Modjtahedi, Bagher [California Univ., Davis, CA (United States); California Franchise Tax Board, CA (United States); Movassagh, Nahid [California Energy Commission, MS22, Sacramento, CA (United States)

    2005-07-01

    This study reports several empirical findings concerning natural gas futures prices. First, spot and futures prices are non-stationary and the observed trends are due to positive drifts in the random-walk components of the prices rather than possible deterministic time trends. Second, market forecast errors are stationary. Third, futures are less than expected future spot prices so that futures are backdated. Fourth, the bias in the futures prices is time varying. Fifth, futures have statistically significant market-timing ability, despite the bias in the magnitude forecasts. Finally, the data lends partial support to the cost-of-carry theory of the basis determination. (Author)

  18. Natural-gas futures: Bias, predictive performance, and the theory of storage

    International Nuclear Information System (INIS)

    Modjtahedi, Bagher; Movassagh, Nahid

    2005-01-01

    This study reports several empirical findings concerning natural gas futures prices. First, spot and futures prices are non-stationary and the observed trends are due to positive drifts in the random-walk components of the prices rather than possible deterministic time trends. Second, market forecast errors are stationary. Third, futures are less than expected future spot prices so that futures are backdated. Fourth, the bias in the futures prices is time varying. Fifth, futures have statistically significant market-timing ability, despite the bias in the magnitude forecasts. Finally, the data lends partial support to the cost-of-carry theory of the basis determination. (Author)

  19. Corporate Bonds in Denmark

    DEFF Research Database (Denmark)

    Tell, Michael

    2015-01-01

    Corporate financing is the choice between capital generated by the corporation and capital from external investors. However, since the financial crisis shook the markets in 2007–2008, financing opportunities through the classical means of financing have decreased. As a result, corporations have...... to think in alternative ways such as issuing corporate bonds. A market for corporate bonds exists in countries such as Norway, Germany, France, the United Kingdom and the United States, while Denmark is still behind in this trend. Some large Danish corporations have instead used foreign corporate bonds...... markets. However, NASDAQ OMX has introduced the First North Bond Market in December 2012 and new regulatory framework came into place in 2014, which may contribute to a Danish based corporate bond market. The purpose of this article is to present the regulatory changes in Denmark in relation to corporate...

  20. Do we need primer for orthodontic bonding? A randomized controlled trial.

    Science.gov (United States)

    Nandhra, Sarabjit Singh; Littlewood, Simon J; Houghton, Nadine; Luther, Friedy; Prabhu, Jagadish; Munyombwe, Theresa; Wood, Simon R

    2015-04-01

    To evaluate the clinical performance of APC™II Victory Series™ (3M Unitek) brackets in direct orthodontic bonding with and without the use of primer. A single-operator, two-centre prospective, non-inferiority randomized controlled clinical trial. The Orthodontic departments at the Leeds Dental Institute and St Luke's Hospital, Bradford, UK. Ethical approval was granted by Leeds (East) Research Ethics Committee on 18th of December 2009 (Reference 09/H1306/102). The protocol was not published prior to trial commencement. Ninety-two patients requiring orthodontic treatment with fixed appliances were randomly allocated to the control (bonded with primer) or test groups (bonded without primer). Patients were randomly allocated to either the control or experimental group. This was performed by preparing opaque numbered sealed envelopes in advance using a random numbers table generated by a computer by an independent third party . Once the envelopes were opened, blinding of the operator and the patient was no longer possible due to the nature of the intervention. Patients were approached for inclusion in the trial if they qualified for NHS orthodontic treatment requiring fixed appliances and had no previous orthodontic treatment. Number of bracket failures, time to bond-up appliances, and the adhesive remnant index (ARI) when bracket failure occurred, over a 12-month period Failure rate with primer was 11.1 per cent and without primer was 15.8 per cent. Bonding without primer was shown statistically to be non-inferior to bonding with primer odds ratio 0.95-2.25 (P = 0.08). Mean difference in bond-up time per bracket was 0.068 minutes (4 seconds), which was not statistically significant (P = 0.402). There was a statistically significant difference in the Adhesive Remnant Index - ARI 0 with primer 49.4 per cent, no primer 76.5 per cent, (P failure rate of 2% to be clinically significant. When bonding with APC™II Victory Series™ brackets without primer was shown

  1. Untreated Natural Graphite as a Graphene Source for High-Performance Li-Ion Batteries

    Directory of Open Access Journals (Sweden)

    María Simón

    2018-03-01

    Full Text Available Graphene nanosheets (GNS are synthesized from untreated natural graphite (NG for use as electroactive materials in Li-ion batteries (LIBs, which avoids the pollution-generating steps of purifying graphite. Through a modified Hummer method and subsequent thermal exfoliation, graphitic oxide and graphene were synthesized and characterized structurally, morphologically and chemically. Untreated natural graphite samples contain 45–50% carbon by weight; the rest is composed of different elements such as aluminium, calcium, iron, silicon and oxygen, which are present as calcium carbonate and silicates of aluminium and iron. Our results confirm that in the GO and GNS synthesized, calcium is removed due to oxidation, though other impurities are maintained because they are not affected by the synthesis. Despite the remaining mineral phases, the energy storage capacity of GNS electrodes is very promising. In addition, an electrochemical comparison between GNS and NG demonstrated that the specific capacity in GNS is higher during the whole cycling process, 770 mA·g−1 at 100th cycle, which is twice that of graphite.

  2. Simultaneous effects of water spray and crosswind on performance of natural draft dry cooling tower

    Directory of Open Access Journals (Sweden)

    Ahmadikia Hossein

    2013-01-01

    Full Text Available To investigate the effect of water spray and crosswind on the effectiveness of the natural draft dry cooling tower (NDDCT, a three-dimensional model has been developed. Efficiency of NDDCT is improved by water spray system at the cooling tower entrance for high ambient temperature condition with and without crosswind. The natural and forced heat convection flow inside and around the NDDCT is simulated numerically by solving the full Navier-Stokes equations in both air and water droplet phases. Comparison of the numerical results with one-dimensional analytical model and the experimental data illustrates a well-predicted heat transfer rate in the cooling tower. Applying water spray system on the cooling tower radiators enhances the cooling tower efficiency at both no wind and windy conditions. For all values of water spraying rate, NDDCTs operate most effectively at the crosswind velocity of 3m/s and as the wind speed continues to rise to more than 3 m/s up to 12 m/s, the tower efficiency will decrease by approximately 18%, based on no-wind condition. The heat transfer rate of radiator at wind velocity 10 m/s is 11.5% lower than that of the no wind condition. This value is 7.5% for water spray rate of 50kg/s.

  3. Association of bond, market, operational, and financial factors with multi-hospital system bond issues.

    Science.gov (United States)

    Carpenter, C E; McCue, M J; Hossack, J B

    2001-01-01

    Despite the growth of multi-hospital systems in the 1990s, their performance in the tax-exempt bond market has not been adequately evaluated. The purpose of this study is to compare bonds issued by multi-hospital systems to those issued by individual hospitals in terms of bond, market, operational, and financial characteristics. The study sample includes 2,078 newly issued, tax-exempt, revenue bonds between 1991 and 1997. The findings indicate that multi-hospital systems issued larger amounts of debt at a lower cost, were more likely to be insured, had higher debt service coverage and higher operating margins.

  4. Bond portfolio's duration and investment term-structure management problem

    OpenAIRE

    Liu, Daobai

    2006-01-01

    In the considered bond market, there are N zero-coupon bonds transacted continuously, which will mature at equally spaced dates. A duration of bond portfolios under stochastic interest rate model is introduced, which provides a measurement for the interest rate risk. Then we consider an optimal bond investment term-structure management problem using this duration as a performance index, and with the short-term interest rate process satisfying some stochastic differential ...

  5. Manufacturing and sustainability of bonding systems for grinding tools

    OpenAIRE

    Linke, B

    2016-01-01

    © 2016, German Academic Society for Production Engineering (WGP). Grinding and honing processes are quality-defining operations in the production of many modern products. Process performance and product quality are contingent on selecting the correct abrasive tool for a specific application. Thus, tools with different bonding systems are used, namely resin bonded tools, vitrified bonded tools, and metallic bonded tools. Tool manufacturers have great knowledge in the choice and intricate prod...

  6. The Influences of Overlap Length, Bond Line Thickness and Pretreatmant on the Mechanical Properties of Adhesives : Focussing on Bonding Glass

    NARCIS (Netherlands)

    Vervloed, J.; Kwakernaak, A.; Poulis, H.

    2008-01-01

    This paper focuses on the influences of overlap length, bond line thickness and pretreatment on the mechanical properties of adhesive bonds. In order to determine the bond strength, lap shear tests were performed. The researched adhesives are a 2 component epoxy and MS polymer. The smallest overlap

  7. Destination bonding: Hybrid cognition using Instagram

    Directory of Open Access Journals (Sweden)

    Arup Kumar Baksi

    2015-01-01

    Full Text Available Empirical research has identified the phenomenon of destination bonding as a result of summated physical and emotional values associated with the destination. Physical values, namely natural landscape & other physical settings and emotional values, namely the enculturation processes, have a significant role to play in portraying visitors’ cognitive framework for destination preference. The physical values seemed to be the stimulator for bonding that embodies action or behavior tendencies in imagery. The emotional values were the conditions that lead to affective bonding and are reflected in attitudes for a place which were evident in text narratives. Social networking on virtual platforms offers the scope for hybrid cognitive expression using imagery and text to the visitors. Instagram has emerged as an application-window to capture these hybrid cognitions of visitors. This study focuses on assessing the relationship between hybrid cognition of visitors expressed via Instagram and their bond with the destination. Further to this, the study attempts to examine the impact of hybrid cognition of visitors on the behavioral pattern of prospective visitors to the destination. The study revealed that sharing of visual imageries and related text by the visitors is an expression of the physico-emotional bonding with the destination. It was further established that hybrid cognition strongly asserts destination bonding and has been also found to have moderating impact on the link between destination bonding and electronic-word-of-mouth.

  8. Hydrogen Bonds and Life in the Universe

    Directory of Open Access Journals (Sweden)

    Giovanni Vladilo

    2018-01-01

    Full Text Available The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life. With this aim in mind, we have explored which chemical and physical properties should be expected for life possibly different from the terrestrial one, but similarly sustained by genetic and catalytic molecules. We show that functional molecules performing genetic and catalytic tasks must feature a hierarchy of chemical interactions operating in distinct energy bands. Of all known chemical bonds and forces, only hydrogen bonds are able to mediate the directional interactions of lower energy that are needed for the operation of genetic and catalytic tasks. For this reason and because of the unique quantum properties of hydrogen bonding, the functional molecules involved in life processes are predicted to have extensive hydrogen-bonding capabilities. A molecular medium generating a hydrogen-bond network is probably essential to support the activity of the functional molecules. These hydrogen-bond requirements constrain the viability of hypothetical biochemistries alternative to the terrestrial one, provide thermal limits to life molecular processes, and offer a conceptual framework to define a transition from a “covalent-bond stage” to a “hydrogen-bond stage” in prebiotic chemistry.

  9. Hydrogen Bonds and Life in the Universe

    Science.gov (United States)

    2018-01-01

    The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life. With this aim in mind, we have explored which chemical and physical properties should be expected for life possibly different from the terrestrial one, but similarly sustained by genetic and catalytic molecules. We show that functional molecules performing genetic and catalytic tasks must feature a hierarchy of chemical interactions operating in distinct energy bands. Of all known chemical bonds and forces, only hydrogen bonds are able to mediate the directional interactions of lower energy that are needed for the operation of genetic and catalytic tasks. For this reason and because of the unique quantum properties of hydrogen bonding, the functional molecules involved in life processes are predicted to have extensive hydrogen-bonding capabilities. A molecular medium generating a hydrogen-bond network is probably essential to support the activity of the functional molecules. These hydrogen-bond requirements constrain the viability of hypothetical biochemistries alternative to the terrestrial one, provide thermal limits to life molecular processes, and offer a conceptual framework to define a transition from a “covalent-bond stage” to a “hydrogen-bond stage” in prebiotic chemistry. PMID:29301382

  10. Hydrogen Bonds and Life in the Universe.

    Science.gov (United States)

    Vladilo, Giovanni; Hassanali, Ali

    2018-01-03

    The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life. With this aim in mind, we have explored which chemical and physical properties should be expected for life possibly different from the terrestrial one, but similarly sustained by genetic and catalytic molecules. We show that functional molecules performing genetic and catalytic tasks must feature a hierarchy of chemical interactions operating in distinct energy bands. Of all known chemical bonds and forces, only hydrogen bonds are able to mediate the directional interactions of lower energy that are needed for the operation of genetic and catalytic tasks. For this reason and because of the unique quantum properties of hydrogen bonding, the functional molecules involved in life processes are predicted to have extensive hydrogen-bonding capabilities. A molecular medium generating a hydrogen-bond network is probably essential to support the activity of the functional molecules. These hydrogen-bond requirements constrain the viability of hypothetical biochemistries alternative to the terrestrial one, provide thermal limits to life molecular processes, and offer a conceptual framework to define a transition from a "covalent-bond stage" to a "hydrogen-bond stage" in prebiotic chemistry.

  11. How to assess performance in cycling: the multivariate nature of influencing factors and related indicators

    Science.gov (United States)

    Castronovo, A. Margherita; Conforto, Silvia; Schmid, Maurizio; Bibbo, Daniele; D'Alessio, Tommaso

    2013-01-01

    Finding an optimum for the cycling performance is not a trivial matter, since the literature shows the presence of many controversial aspects. In order to quantify different levels of performance, several indexes have been defined and used in many studies, reflecting variations in physiological and biomechanical factors. In particular, indexes such as Gross Efficiency (GE), Net Efficiency (NE) and Delta Efficiency (DE) have been referred to changes in metabolic efficiency (EffMet), while the Indexes of Effectiveness (IE), defined over the complete crank revolution or over part of it, have been referred to variations in mechanical effectiveness (EffMech). All these indicators quantify the variations of different factors [i.e., muscle fibers type distribution, pedaling cadence, setup of the bicycle frame, muscular fatigue (MFat), environmental variables, ergogenic aids, psychological traits (PsychTr)], which, moreover, show high mutual correlation. In the attempt of assessing cycling performance, most studies in the literature keep all these factors separated. This may bring to misleading results, leaving unanswered the question of how to improve cycling performance. This work provides an overview on the studies involving indexes and factors usually related to performance monitoring and assessment in cycling. In particular, in order to clarify all those aspects, the mutual interactions among these factors are highlighted, in view of a global performance assessment. Moreover, a proposal is presented advocating for a model-based approach that considers all factors mentioned in the survey, including the mutual interaction effects, for the definition of an objective function E representing the overall effectiveness of a training program in terms of both EffMet and EffMech. PMID:23734130

  12. How to Assess Performance in Cycling: the Multivariate Nature of Influencing Factors and Related Indicators.

    Directory of Open Access Journals (Sweden)

    Anna Margherita eCastronovo

    2013-05-01

    Full Text Available Finding an optimum for the cycling performance is not a trivial matter, since the literature shows the presence of many controversial aspects. In order to quantify different levels of performance, several indexes have been defined and used in many studies, reflecting variations in physiological and biomechanical factors. In particular, indexes such as Gross Efficiency (GE, Net Efficiency (NE and Delta Efficiency (DE have been referred to changes in metabolic efficiency (EffMet, while the Indexes of Effectiveness (IE, defined over the complete crank revolution or over part of it, have been referred to variations in mechanical effectiveness (EffMech. All these indicators quantify the variations of different factors (i.e. muscle fibers type distribution, pedaling cadence, setup of the bicycle frame, muscular fatigue, environmental variables, ergogenic aids, psychological traits, which, moreover, show high mutual correlation. In the attempt of assessing cycling performance, most studies in the literature keep all these factors separated. This may bring to misleading results, leaving unanswered the question of how to improve cycling performance. This work provides an overview on the studies involving indexes and factors usually related to performance monitoring and assessment in cycling. In particular, in order to clarify all those aspects, the mutual interactions among these factors are highlighted, in view of a global performance assessment. Moreover, a proposal is presented advocating for a model-based approach that considers all factors mentioned in the survey, including the mutual interaction effects, for the definition of an objective function E representing the overall effectiveness of a training program in terms of both metabolic efficiency and mechanical effectiveness.

  13. Performance of magnetorheological elastomer based green epoxidized natural rubber/sucrose acetate isobutyrate hybrid matrix

    Science.gov (United States)

    Khairi, Muntaz Hana Ahmad; Amri Mazlan, Saiful; Aziz, Siti Aishah Abdul; Ubaidillah; Tan Shilan, Salihah

    2018-04-01

    This study introduces a sucrose acetate isobutyrate (SAIB) as a novel additive of magnetorheological elastomers (MREs). The MREs utilized an epoxidized natural rubber (ENR) as the matrix and carbonyl iron particles (CIPs) as their filler. The CIPs were fixed at 60 wt%. The viscosity of the compound was observed using a viscometer. Meanwhile, the microstructures were observed by using field emission scanning electron microscope (FESEM). Rheological properties regarding shear storage modulus were measured by using a rheometer (MCR 302, Anton Paar). The experimental results demonstrated that the MREs-based ENR/SAIB had a decrement in their viscosity by 40% reduction. Moreover, the magnetorheological (MR) effect increased by 23% as the increment of magnetic fields. The morphological photograph showed that the CIPs embedded well within the matrix. The fabricated MREs samples were strain dependent, where all MREs samples exhibit the deteriorating trend when increasing the strain amplitude.

  14. Design, development and performance testing of a new natural convection solar dryer

    Energy Technology Data Exchange (ETDEWEB)

    Pangavhane, D.R. [K.K. Wagh College of Engineering, Nashik (India). Department of Mechanical Engineering; Sawhney, R.L.; Sarsavadia, P.N. [Devi Ahilya Vishwa Vidhyalaya, Indore (India). School of Energy and Environmental Studies

    2002-06-01

    Mechanical drying of agricultural products is an energy consuming operation in the post-harvesting technology. Greater emphasis is given to using solar energy sources in this process due to the high prices and shortages of fossil fuels. For these purposes, a new natural convection solar dryer consisting of a solar air heater and a drying chamber was developed. This system can be used for drying various agricultural products like fruits and vegetables. In this study, grapes were successfully dried in the developed solar dryer. The qualitative analysis showed that the traditional drying, i.e. shade drying and open sun drying, dried the grapes in 15 and 7 days respectively, while the solar dryer took only 4 days and produced better quality raisins. (author)

  15. Modeling of natural circulation and assessment of passive safety system performance (activities current status)

    International Nuclear Information System (INIS)

    Bykov, M.A.; Kryuchkov, M.E.

    2011-01-01

    Conclusions under the analysis of natural circulation: • Verifying calculations by means of CORSAR/GP code for values of power of a heater W = 1.5 and 2.5 kw have been done. Comparison with experimental data has been spent. • The received results do not coincide from a physical part of sight - in experiment change of a sign on the flow rate is observed during a problem, in calculations the flow rate is unequivocal. • However numerical values for the first variant (W = 1.5 kw) are close enough to the experimental. • For the second variant (W = 2.5 kw) are observed appreciable divergences. Researches in this direction will proceed. As is planned to continue researches in the field of uncertainty of parameters for this facilities

  16. Structural characterization and mechanical performance of calcium phosphate scaffolds and natural bones: a comparative study.

    Science.gov (United States)

    Fuentes, Elena; Sáenz de Viteri, Virginia; Igartua, Amaya; Martinetti, Roberta; Dolcini, Laura; Barandika, Gotzone

    2010-01-01

    The knowledge of the mechanical response of bones and their substitutes is pertinent to numerous medical problems. Understanding the effects of mechanical influence on the body is the first step toward developing innovative treatment and rehabilitation concepts for orthopedic disorders. This was a comparative study of 5 synthetic scaffolds based on porous calcium phosphates and natural bones, with regard to their microstructural, chemical, and mechanical characterizations. The structural and chemical characterizations of the scaffolds were examined by means of X-ray diffraction, scanning electron microscopy, and X-ray spectroscopy analysis. The mechanical characterization of bones and bone graft biomaterials was carried out through compression tests using samples with noncomplex geometry. Analysis of the chemical composition, surface features, porosity, and compressive strength indicates that hydroxyapatite-based materials and trabecular bone have similar properties.

  17. On the photostability of the disulfide bond

    DEFF Research Database (Denmark)

    Stephansen, Anne Boutrup; Larsen, Martin Alex Bjørn; Klein, Liv Bærenholdt

    2014-01-01

    Photostability is an essential property of molecular building blocks of nature. Disulfides are central in the structure determination of proteins, which is in striking contradiction to the result that the S-S bond is a photochemically labile structural entity that cleaves to form free radicals upon...... on a sub 50 fs timescale without further ado. In a cyclic motif resembling the cysteine-disulfide bond in proteins, light can perturb the S-S bond to generate short-lived diradicaloid species, but the sulfur atoms are conformationally restricted by the ring that prevents the sulfur atoms from flying apart...... the photostability of disulfide-bonds must be ascribed a cyclic structural arrangement....

  18. Confidence, Concentration, and Competitive Performance of Elite Athletes: A Natural Experiment in Olympic Gymnastics.

    Science.gov (United States)

    Grandjean, Burke D.; Taylor, Patricia A.; Weiner, Jay

    2002-01-01

    During the women's all-around gymnastics final at the 2000 Olympics, the vault was inadvertently set 5 cm too low for a random half of the gymnasts. The error was widely viewed as undermining their confidence and subsequent performance. However, data from pretest and posttest scores on the vault, bars, beam, and floor indicated that the vault…

  19. Solar membrane natural gas steam-reforming process: evaluation of reactor performance

    NARCIS (Netherlands)

    de Falco, M.; Basile, A.; Gallucci, F.

    2010-01-01

    In this work, the performance of an innovative plant for efficient hydrogen production using solar energy for the process heat duty requirements has been evaluated via a detailed 2D model. The steam-reforming reactor consists of a bundle of coaxial double tubes assembled in a shell. The annular

  20. Solar membrane natural gas steam-reforming process : evaluation of reactor performance

    NARCIS (Netherlands)

    Falco, de M.; Basile, A.; Gallucci, F.

    2010-01-01

    In this work, the performance of an innovative plant for efficient hydrogen production using solar energy for the process heat duty requirements has been evaluated via a detailed 2D model. The steam-reforming reactor consists of a bundle of coaxial double tubes assembled in a shell. The annular

  1. Experimental study on natural ventilation performance of one-sided wind catcher

    NARCIS (Netherlands)

    Montazeri, H.; Azizian, R.

    2008-01-01

    Hydrodynamic performance of a one-sided wind catcher was investigated by experimental wind tunnel and smoke visualization testing. Wind catchers or what is called Baud-Geers in Persian language was a main component of buildings in central region of Iran and the neighboring countries. A Baud-Geer is

  2. Organizing artistic activities in a recurrent manner : (on the nature of) entrepreneurship in the performing arts

    NARCIS (Netherlands)

    Bergamini, Michela; Van de Velde, Ward; Van Looy, Bart; Visscher, Klaasjan

    2017-01-01

    A majority of performing arts organizations active in classical music, theatre, and contemporary dance rely on funding from "third parties" in order to organize productions in a recurrent manner. We adopt an entrepreneurial perspective to inform the debate on the economic sustainability of

  3. Actor bonds after relationship dissolution

    DEFF Research Database (Denmark)

    Skaates, Maria Anne

    2000-01-01

    Most of the presented papers at the 1st NoRD Workshop can be classified as belonging to the business marketing approach to relationship dissolution. Two papers were conceptual, and the remaining six were empirical studies. The first conceptual study by Skaates (2000) focuses on the nature...... of the actor bonds that remain after a business relationship has ended. The study suggests that an interdisciplinary approach would provide a richer understanding of the phenomenon; this could be achieved by using e.g. Bourdieu's sociological concepts in dissolution research....

  4. Photosynthetic performance of restored and natural mangroves under different environmental constraints.

    Science.gov (United States)

    Rovai, André Scarlate; Barufi, José Bonomi; Pagliosa, Paulo Roberto; Scherner, Fernando; Torres, Moacir Aluísio; Horta, Paulo Antunes; Simonassi, José Carlos; Quadros, Daiane Paula Cunha; Borges, Daniel Lázaro Gallindo; Soriano-Sierra, Eduardo Juan

    2013-10-01

    We hypothesized that the photosynthetic performance of mangrove stands restored by the single planting of mangroves species would be lowered due to residual stressors. The photosynthetic parameters of the vegetation of three planted mangrove stands, each with a different disturbance history, were compared to reference sites and correlated with edaphic environmental variables. A permutational analysis of variance showed significant interaction when the factors were compared, indicating that the photosynthetic parameters of the restoration areas differed from the reference sites. A univariate analysis of variance showed that all the photosynthetic parameters differed between sites and treatments, except for photosynthetic efficiency (αETR). The combination of environmental variables that best explained the variations observed in the photosynthetic performance indicators were Cu, Pb and elevation disruptions. Fluorescence techniques proved efficient in revealing important physiological differences, representing a powerful tool for rapid analysis of the effectiveness of initiatives aimed at restoring coastal environments. Copyright © 2013 Elsevier Ltd. All rights reserved.

  5. Effect of turbocharging system on the performance of a natural gas engine

    International Nuclear Information System (INIS)

    Kesgin, Ugur

    2005-01-01

    The effect of the turbocharging system on the performance of the gas engine family, which is used in combined power plants, is investigated. These investigations show a clear improvement potential for the future of the engine series optimised here. To do this, a computational model in which zero dimensional phenomena within the cylinder and one dimensional phenomena in the engine inlet and exhaust system are used is verified. Using this engine model, the effects of the parameters of the exhaust and turbocharging system on the engine performance are obtained. In particular, the following parameters are chosen: diameter of the exhaust manifold, diameter of the pipe at the turbine exit, efficiency of the turbocharger, location of the turbocharger, back pressure at the turbine exit and pressure losses (resistances) before the compressor. This paper presents the results of these investigations

  6. Nature of the relationship between strategic leadership, operational strategy and organisational performance

    Directory of Open Access Journals (Sweden)

    Kobus Serfontein

    2011-12-01

    Full Text Available Since the mid-1980s a growing body of leadership research has focused on strategic leadership, in contrast to managerial and visionary leadership. It focused on how top leadership makes decisions in the short term that guarantees the long-term viability of the organisation. The best performing organisations are consciously strategic in their leadership planning. These top leaders also have the ability to align human resources in an effective way directly to the business strategy. This article identifies some of the direct and indirect pathways in which strategic leadership influences the operational strategy and performance of business organisations in South Africa. This research pinpointed theoretical and substantively meaningful endogenous organisational capabilities that mediated this relationship and exogenous organisational factors that moderated this relationship.

  7. Nature of the relationship between strategic leadership, operational strategy and organisational performance

    OpenAIRE

    Kobus Serfontein; Johan Hough

    2011-01-01

    Since the mid-1980s a growing body of leadership research has focused on strategic leadership, in contrast to managerial and visionary leadership. It focused on how top leadership makes decisions in the short term that guarantees the long-term viability of the organisation. The best performing organisations are consciously strategic in their leadership planning. These top leaders also have the ability to align human resources in an effective way directly to the business strategy. This article...

  8. Developing a Performance Assessment Framework and Indicators for Communicable Disease Management in Natural Disasters.

    Science.gov (United States)

    Babaie, Javad; Ardalan, Ali; Vatandoost, Hasan; Goya, Mohammad Mehdi; Akbarisari, Ali

    2016-02-01

    Communicable disease management (CDM) is an important component of disaster public health response operations. However, there is a lack of any performance assessment (PA) framework and related indicators for the PA. This study aimed to develop a PA framework and indicators in CDM in disasters. In this study, a series of methods were used. First, a systematic literature review (SLR) was performed in order to extract the existing PA frameworks and indicators. Then, using a qualitative approach, some interviews with purposively selected experts were conducted and used in developing the PA framework and indicators. Finally, the analytical hierarchy process (AHP) was used for weighting of the developed indicators. The input, process, products, and outcomes (IPPO) framework was found to be an appropriate framework for CDM PA. Seven main functions were revealed to CDM during disasters. Forty PA indicators were developed for the four categories. There is a lack of any existing PA framework in CDM in disasters. Thus, in this study, a PA framework (IPPO framework) was developed for the PA of CDM in disasters through a series of methods. It can be an appropriate framework and its indicators could measure the performance of CDM in disasters.

  9. A novel nature inspired firefly algorithm with higher order neural network: Performance analysis

    Directory of Open Access Journals (Sweden)

    Janmenjoy Nayak

    2016-03-01

    Full Text Available The applications of both Feed Forward Neural network and Multilayer perceptron are very diverse and saturated. But the linear threshold unit of feed forward networks causes fast learning with limited capabilities, while due to multilayering, the back propagation of errors exhibits slow training speed in MLP. So, a higher order network can be constructed by correlating between the input variables to perform nonlinear mapping using the single layer of input units for overcoming the above drawbacks. In this paper, a Firefly based higher order neural network has been proposed for data classification for maintaining fast learning and avoids the exponential increase of processing units. A vast literature survey has been conducted to review the state of the art of the previous developed models. The performance of the proposed method has been tested with various benchmark datasets from UCI machine learning repository and compared with the performance of other established models. Experimental results imply that the proposed method is fast, steady, reliable and provides better classification accuracy than others.

  10. Genetic parameters of performance traits in Sul-Mato-Grossenses naturalized sheep

    Directory of Open Access Journals (Sweden)

    Daniele Portela de Oliveira

    2014-02-01

    Full Text Available Estimates of genetic parameters are important to study characteristics that are to be included in a breeding program of a genetic group. The information of 594 weights from 211 lambs of a genetic group of naturalized Sul-mato-grossenses sheep belonging to Manoel de Barros Foundation and breeding at Centro Tecnologico de Ovinos from Anhanguera-Uniderp University was used. The estimation of variance components in unicaracter and bicaracter analysis were carried out through Bayesian inference. Estimates of heritability ranged from unicaracter analyses (0.22 to 0.47 and the bicaracter analyses (0.13 to 0.78. The maternal environmental permanent effect was higher in birth weight and average daily gain from birth to 50 days in 24.2% and 19.5%, respectively, in the observed variation. Estimates of heritability, maternal environmental permanent effect participation, phenotypic and genetic correlations indicate that selection for average daily gain from birth to 90 days would imply increases in weight at 50 days, weight at 90 days and average daily gain from 50 to 90 days of lambs with no significant increase in birth weight and average daily gain birth at 50 days.

  11. High-performance intrinsically microporous dihydroxyl-functionalized triptycene-based polyimide for natural gas separation

    KAUST Repository

    Alaslai, Nasser Y.; Ghanem, Bader; Alghunaimi, Fahd; Pinnau, Ingo

    2016-01-01

    A novel polyimide of intrinsic microporosity (PIM-PI) was synthesized from a 9,10-diisopropyl-triptycene-based dianhydride (TPDA) and dihydroxyl-functionalized 4,6-diaminoresorcinol (DAR). The unfunctionalized TPDA-m-phenylenediamine (mPDA) polyimide derivative was made as a reference material to evaluate the effect of the OH group in TPDA-DAR on its gas transport properties. Pure-gas permeability coefficients of He, H2, N2, O2, CH4, and CO2 were measured at 35 °C and 2 atm. The BET surface area based on nitrogen adsorption of dihydroxyl-functionalized TPDA-DAR (308 m2g-1) was 45% lower than that of TPDA-mPDA (565 m2g-1). TPDA-mPDA had a pure-gas CO2 permeability of 349 Barrer and CO2/CH4 selectivity of 32. The dihydroxyl-functionalized TPDA-DAR polyimide exhibited enhanced pure-gas CO2/CH4 selectivity of 46 with a moderate decrease in CO2 permeability to 215 Barrer. The CO2 permeability of TPDA-DAR was ∼30-fold higher than that of a commercial cellulose triacetate membrane coupled with 39% higher pure-gas CO2/CH4 selectivity. The TPDA-based dihydroxyl-containing polyimide showed good plasticization resistance and maintained high mixed-gas selectivity of 38 when tested at a typical CO2 natural gas wellhead CO2 partial pressure of 10 atm.

  12. Assessment of the Central Effects of Natural Uranium via Behavioural Performances and the Cerebrospinal Fluid Metabolome

    Directory of Open Access Journals (Sweden)

    P. Lestaevel

    2016-01-01

    Full Text Available Natural uranium (NU, a component of the earth’s crust, is not only a heavy metal but also an alpha particle emitter, with chemical and radiological toxicity. Populations may therefore be chronically exposed to NU through drinking water and food. Since the central nervous system is known to be sensitive to pollutants during its development, we assessed the effects on the behaviour and the cerebrospinal fluid (CSF metabolome of rats exposed for 9 months from birth to NU via lactation and drinking water (1.5, 10, or 40 mg·L−1 for male rats and 40 mg·L−1 for female rats. Medium-term memory decreased in comparison to controls in male rats exposed to 1.5, 10, or 40 mg·L−1 NU. In male rats, spatial working memory and anxiety- and depressive-like behaviour were only altered by exposure to 40 mg·L−1 NU and any significant effect was observed on locomotor activity. In female rats exposed to NU, only locomotor activity was significantly increased in comparison with controls. LC-MS metabolomics of CSF discriminated the fingerprints of the male and/or female NU-exposed and control groups. This study suggests that exposure to environmental doses of NU from development to adulthood can have an impact on rat brain function.

  13. Assessment of the Central Effects of Natural Uranium via Behavioural Performances and the Cerebrospinal Fluid Metabolome.

    Science.gov (United States)

    Lestaevel, P; Grison, S; Favé, G; Elie, C; Dhieux, B; Martin, J C; Tack, K; Souidi, M

    2016-01-01

    Natural uranium (NU), a component of the earth's crust, is not only a heavy metal but also an alpha particle emitter, with chemical and radiological toxicity. Populations may therefore be chronically exposed to NU through drinking water and food. Since the central nervous system is known to be sensitive to pollutants during its development, we assessed the effects on the behaviour and the cerebrospinal fluid (CSF) metabolome of rats exposed for 9 months from birth to NU via lactation and drinking water (1.5, 10, or 40 mg·L(-1) for male rats and 40 mg·L(-1) for female rats). Medium-term memory decreased in comparison to controls in male rats exposed to 1.5, 10, or 40 mg·L(-1) NU. In male rats, spatial working memory and anxiety- and depressive-like behaviour were only altered by exposure to 40 mg·L(-1) NU and any significant effect was observed on locomotor activity. In female rats exposed to NU, only locomotor activity was significantly increased in comparison with controls. LC-MS metabolomics of CSF discriminated the fingerprints of the male and/or female NU-exposed and control groups. This study suggests that exposure to environmental doses of NU from development to adulthood can have an impact on rat brain function.

  14. High-performance intrinsically microporous dihydroxyl-functionalized triptycene-based polyimide for natural gas separation

    KAUST Repository

    Alaslai, Nasser Y.

    2016-03-22

    A novel polyimide of intrinsic microporosity (PIM-PI) was synthesized from a 9,10-diisopropyl-triptycene-based dianhydride (TPDA) and dihydroxyl-functionalized 4,6-diaminoresorcinol (DAR). The unfunctionalized TPDA-m-phenylenediamine (mPDA) polyimide derivative was made as a reference material to evaluate the effect of the OH group in TPDA-DAR on its gas transport properties. Pure-gas permeability coefficients of He, H2, N2, O2, CH4, and CO2 were measured at 35 °C and 2 atm. The BET surface area based on nitrogen adsorption of dihydroxyl-functionalized TPDA-DAR (308 m2g-1) was 45% lower than that of TPDA-mPDA (565 m2g-1). TPDA-mPDA had a pure-gas CO2 permeability of 349 Barrer and CO2/CH4 selectivity of 32. The dihydroxyl-functionalized TPDA-DAR polyimide exhibited enhanced pure-gas CO2/CH4 selectivity of 46 with a moderate decrease in CO2 permeability to 215 Barrer. The CO2 permeability of TPDA-DAR was ∼30-fold higher than that of a commercial cellulose triacetate membrane coupled with 39% higher pure-gas CO2/CH4 selectivity. The TPDA-based dihydroxyl-containing polyimide showed good plasticization resistance and maintained high mixed-gas selectivity of 38 when tested at a typical CO2 natural gas wellhead CO2 partial pressure of 10 atm.

  15. Dentin-bonding agents

    Directory of Open Access Journals (Sweden)

    João Carlos Gomes

    2008-01-01

    Full Text Available New dental restorative materials have been developed to meet not only the functional demands, but esthetics as well, and in the last few years an enormous range of new materials has appeared for use in dentistry. Among them, several adhesive systems, and different operative techniques for each group materials. Therefore, is indispensable for the professional to know about the properties, characteristics, and association of these materials with the dental structures, in order to select and use them correctly. Should conventional self-etching adhesive systems be used? This question encouraged this literature review to be conducted, with the aim of comparing the conventional adhesive systems with the self-etching systems and to look for scientific data that would help professionals to choose which adhesive system to use. When compared to conventional systems, it was noted that the self-etching systems show less sensitivity to technique, especially as regards errors the operator could commit. The self-etching systems, particularly the 2-step type, have shown equivalent values of bond strength, marginal microleakage and performance, therefore, will be an option for direct composite resin restorations in posterior teeth.

  16. Expected Business Conditions and Bond Risk Premia

    DEFF Research Database (Denmark)

    Eriksen, Jonas Nygaard

    This paper studies the predictability of bond risk premia by means of expectations to future business conditions using survey forecasts from the Survey of Professional Forecasters. We show that expected business conditions consistently affect excess bond returns and that the inclusion of expected...... business conditions in standard predictive regressions improve forecast performance relative to models using information derived from the current term structure or macroeconomic variables. The results are confirmed in a real-time out-of-sample exercise, where the predictive accuracy of the models...... is evaluated both statistically and from the perspective of a mean-variance investor that trades in the bond market....

  17. Effect of dye extracting solvents and sensitization time on photovoltaic performance of natural dye sensitized solar cells

    Directory of Open Access Journals (Sweden)

    Md. Khalid Hossain

    Full Text Available In this study, natural dye sensitizer based solar cells were successfully fabricated and photovoltaic performance was measured. Sensitizer (turmeric sources, dye extraction process, and photoanode sensitization time of the fabricated cells were analyzed and optimized. Dry turmeric, verdant turmeric, and powder turmeric were used as dye sources. Five distinct types of solvents were used for extraction of natural dye from turmeric. Dyes were characterized by UV–Vis spectrophotometric analysis. The extracted turmeric dye was used as a sensitizer in the dye sensitized solar cell’s (DSSC photoanode assembly. Nano-crystalline TiO2 was used as a film coating semiconductor material of the photoanode. TiO2 films on ITO glass substrate were prepared by simple doctor blade technique. The influence of the different parameters VOC, JSC, power density, FF, and η% on the photovoltaic characteristics of DSSCs was analyzed. The best energy conversion performance was obtained for 2 h adsorption time of dye on TiO2 nano-porous surface with ethanol extracted dye from dry turmeric. Keywords: DSSC, Natural dye, TiO2 photoanode, Dye extracting solvent, Dye-adsorption time

  18. Coupling model and solving approach for performance evaluation of natural draft counter-flow wet cooling towers

    Directory of Open Access Journals (Sweden)

    Wang Wei

    2016-01-01

    Full Text Available When searching for the optimum condenser cooling water flow in a thermal power plant with natural draft cooling towers, it is essential to evaluate the outlet water temperature of cooling towers when the cooling water flow and inlet water temperature change. However, the air outlet temperature and tower draft or inlet air velocity are strongly coupled for natural draft cooling towers. Traditional methods, such as trial and error method, graphic method and iterative methods are not simple and efficient enough to be used for plant practice. In this paper, we combine Merkel equation with draft equation, and develop the coupled description for performance evaluation of natural draft cooling towers. This model contains two inputs: the cooling water flow, the inlet cooling water temperature and two outputs: the outlet water temperature, the inlet air velocity, equivalent to tower draft. In this model, we furthermore put forward a soft-sensing algorithm to calculate the total drag coefficient instead of empirical correlations. Finally, we design an iterative approach to solve this coupling model, and illustrate three cases to prove that the coupling model and solving approach proposed in our paper are effective for cooling tower performance evaluation.

  19. Visual performance with sport-tinted contact lenses in natural sunlight.

    Science.gov (United States)

    Erickson, Graham B; Horn, Fraser C; Barney, Tyler; Pexton, Brett; Baird, Richard Y

    2009-05-01

    The use of tinted and clear contact lenses (CLs) in all aspects of life is becoming a more popular occurrence, particularly in athletic activities. This study broadens previous research regarding performance-tinted CLs and their effects on measures of visual performance. Thirty-three subjects (14 male, 19 female) were fitted with clear B&L Optima 38, 50% visible light transmission Amber and 36% visible light transmission Gray-Green Nike Maxsight CLs in an individualized randomized sequence. Subjects were dark-adapted with welding goggles before testing and in between subtests involving a Bailey-Lovie chart and the Haynes Distance Rock test. The sequence of testing was repeated for each lens modality. The Amber and Gray-Green lenses enabled subjects to recover vision faster in bright sunlight compared with clear lenses. Also, subjects were able to achieve better visual recognition in bright sunlight when compared with clear lenses. Additionally, the lenses allowed the subjects to alternate fixation between a bright and shaded target at a more rapid rate in bright sunlight as compared with clear lenses. Subjects preferred both the Amber and Gray-Green lenses over clear lenses in the bright and shadowed target conditions. The results of the current study show that Maxsight Amber and Gray-Green lenses provide better contrast discrimination in bright sunlight, better contrast discrimination when alternating between bright and shaded target conditions, better speed of visual recovery in bright sunlight, and better overall visual performance in bright and shaded target conditions compared with clear lenses.

  20. Chapter 4: Exponential experiments on natural uranium graphite moderated systems. I: Performance and analysis

    International Nuclear Information System (INIS)

    Brown, G.; Moore, P.G.F.; Richmond, R.

    1963-01-01

    A description is given of the methods used on the first BICEP stack for the performance and analysis of graphite exponential experiments. These differ in many respects from the methods formerly employed at A.E.R.E. The accuracy of the measurements has been increased, and the time taken to carry out and analyse an experiment has been reduced by approximately a factor of four. The following have contributed to the experimental work reported in this paper: J. R. Dyson, W. M. Holderay, R. M. Turner, S. D. R. Summers. (author)

  1. Biotic constraints on the establishment and performance of native, naturalized, and invasive plants in Pacific Northwest (USA steppe and forest

    Directory of Open Access Journals (Sweden)

    Brian M. Connolly

    2017-02-01

    . Considered collectively, our results demonstrate how seed limitation and intact plant ground cover can limit the abundance and performance of naturalized species in Pacific Northwest steppe and low elevation forest, suggesting that local disturbance in both habitats creates microsites for these species to establish and survive. Future studies evaluating interactions between multiple barriers to establishment using more representatives from each immigration class will further reveal how biotic interactions ultimately influence the demography and distribution of non-native plants within these communities.

  2. Cost and performance optimization of natural draft dry cooling towers using genetic algorithm. Paper no. IGEC-1-002

    International Nuclear Information System (INIS)

    Shokuhmand, H.; Ghaempanah, B.

    2005-01-01

    In this paper the cost - performance optimization of natural draft dry cooling towers with specific kind of heat exchangers, known as Forgo T60 has been investigated. These cooling towers are used in combined and steam cycle power plants. The optimization has been done using genetic algorithm. The objective function has two parts, which are minimizing the cost and maximizing the performance. In the first part the geometrical and operating parameters are defined and for the next part the performance of the designed tower for different ambient temperatures during a year is calculated considering the characteristic curve of the turbine. The applied genetic algorithm has been tuned up using the data of some working power cycles. The results show it is possible to find an optimum for all design parameters; however it is very dependent on how exact the cost analysis is. (author)

  3. Performance of sand and shredded rubber tire mixture as a natural base isolator for earthquake protection

    Science.gov (United States)

    Bandyopadhyay, Srijit; Sengupta, Aniruddha; Reddy, G. R.

    2015-12-01

    The performance of a well-designed layer of sand, and composites like layer of sand mixed with shredded rubber tire (RSM) as low cost base isolators, is studied in shake table tests in the laboratory. The building foundation is modeled by a 200 mm by 200 mm and 40 mm thick rigid plexi-glass block. The block is placed in the middle of a 1m by 1m tank filled with sand. The selected base isolator is placed between the block and the sand foundation. Accelerometers are placed on top of the footing and foundation sand layer. The displacement of the footing is also measured by LVDT. The whole setup is mounted on a shake table and subjected to sinusoidal motions with varying amplitude and frequency. Sand is found to be effective only at very high amplitude (> 0.65 g) of motions. The performance of a composite consisting of sand and 50% shredded rubber tire placed under the footing is found to be most promising as a low-cost effective base isolator.

  4. Weld bonding of stainless steel

    DEFF Research Database (Denmark)

    Santos, I. O.; Zhang, Wenqi; Goncalves, V.M.

    2004-01-01

    . The overall assessment of the weld bonding process is made using several commercial adhesives with varying working times under different surface conditions. The quality of the resulting joints is evaluated by means of macroetching observations, tension-shear tests and peel tests. The theoretical investigation......This paper presents a comprehensive theoretical and experimental investigation of the weld bonding process with the purpose of evaluating its relative performance in case of joining stainless steel parts, against alternative solutions based on structural adhesives or conventional spot-welding...... of the process consists of numerical predictions based on the commercial finite element program SORPAS with the purpose of establishing the most favourable parameters that allow spot-welding through the adhesives....

  5. Bond markets in Africa

    Directory of Open Access Journals (Sweden)

    Yibin Mu

    2013-07-01

    Full Text Available African bond markets have been steadily growing in recent years, but nonetheless remain undeveloped. African countries would benefit from greater access to financing and deeper financial markets. This paper compiles a unique set of data on government securities and corporate bond markets in Africa. It then applies an econometric model to analyze the key determinants of African government securities market and corporate bond market capitalization. Government securities market capitalization is directly related to better institutions and interest rate volatility, and inversely related to smaller fiscal deficits, higher interest rate spreads, exchange rate volatility, and current and capital account openness. Corporate bond market capitalization is directly linked to economic size, the level of development of the economy and financial markets, better institutions, and interest rate volatility, and inversely related to higher interest rate spreads and current account openness. Policy implications follow.

  6. X-ray Absorption Spectroscopy and Density Functional Theory Studies of [(H3buea)FeIII-X]n1 (X= S2-, O2-,OH-): Comparison of Bonding and Hydrogen Bonding in Oxo and Sulfido Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Abhishek; Hocking, Rosalie K.; /Stanford U., Chem. Dept.; Larsen, Peter; Borovik, Andrew S.; /Kansas U.; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.; /SLAC,

    2006-09-27

    Iron L-edge, iron K-edge, and sulfur K-edge X-ray absorption spectroscopy was performed on a series of compounds [Fe{sup III}H{sub 3}buea(X)]{sup n-} (X = S{sup 2-}, O{sup 2-}, OH{sup -}). The experimentally determined electronic structures were used to correlate to density functional theory calculations. Calculations supported by the data were then used to compare the metal-ligand bonding and to evaluate the effects of H-bonding in Fe{sup III}-O vs Fe{sup III-}S complexes. It was found that the Fe{sup III-}O bond, while less covalent, is stronger than the FeIII-S bond. This dominantly reflects the larger ionic contribution to the Fe{sup III-}O bond. The H-bonding energy (for three H-bonds) was estimated to be -25 kcal/mol for the oxo as compared to -12 kcal/mol for the sulfide ligand. This difference is attributed to the larger charge density on the oxo ligand resulting from the lower covalency of the Fe-O bond. These results were extended to consider an Fe{sup IV-}O complex with the same ligand environment. It was found that hydrogen bonding to Fe{sup IV-}O is less energetically favorable than that to Fe{sup III-}O, which reflects the highly covalent nature of the Fe{sup IV-}O bond.

  7. Contribution to the study of the {sup 31}P, {sup 1}H spin spin coupling constant N. M. R. in three co-ordinated phosphorus compounds. Influence of the bond orientation and of the nature of the substituent around the phosphorus atom; Contribution a l'etude des constantes de couplage {sup 31}P, {sup 1}H en R.M.N. dans les composes organo-phosphores tricoordines. Influence des facteurs geometriques et de la nature des substituants au niveau du phosphore

    Energy Technology Data Exchange (ETDEWEB)

    Robert, J.B. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    In order to investigate the influence of the configuration at the phosphorus atom and the influence of the substituents attached to the phosphorus atom on the J{sub PH} spin spin coupling constant, we have performed the NMR spectrum analysis of some three coordinated organo-phosphorus compounds. The studied coupling constants are {sup 3}J{sub PH} through P-O-C-H and P-C-C-H fragments and {sup 2}J{sub PH} through P-C-H fragment. The results clearly show that on the NMR time scale, in all the studied compounds (1,3,2-dioxaphospholanes, 1,3,2-dioxaphosphorinanes, 3-phospha-cyclopentene and 4-phosphorinanone) there is no inversion of the bonds around phosphorous. This conclusion held also for secondary phosphines. For a given geometry of the bonds joining the P and H atoms, and a given disposition of the bonds around the phosphorus atom, there is only a little influence of the nature of the substituents on the J{sub PH} spin coupling constants. The geometrical dependence of the {sup 3}J{sub PH} cannot be explained by a 'Karplus law'. There is an influence of the bond disposition around phosphorus. In the case of the {sup 2}J{sub P-C-H}, one can plot a curve {sup 2}J{sub P-C-H} = f({alpha}) (0{<=} {alpha} {<=} 180), {alpha} denote the dihedral angle of the two plane defined the first one by the P, C and H atoms, and the second one by the P-C bond together with the three-fold axis of the bond around phosphorus assuming a regular pyramidal arrangement. The function {sup 2}J{sub P-C-H} = f({alpha}) has two maxima, one for {alpha} = 0 degrees and the other for {alpha} = 180 degrees, and also a minimum for {alpha} = 110 degrees. (author) [French] Ce travail consiste en l'analyse par resonance magnetique nucleaire des constantes de couplage phosphore-proton dans des derives organo-phosphores tricoordines dans un double but: examen de la stabilite des liaisons au niveau du phosphore et etude de l'influence de la disposition des liaisons et de la nature de

  8. GROWTH PERFORMANCE OF MENA AND AFRICAN COUNTRIES: IMPACTS OF THE VARIATIONS IN LAND AND NATURAL RESOURCE OWNERSHIP

    Directory of Open Access Journals (Sweden)

    Ece H. Guleryuz

    2017-12-01

    Full Text Available This paper examines the primary determinants of the contemporary economic growth performance in MENA and African countries using a panel data estimation and random effects model during the period 1996-2014 for 24 countries. It is hypothesized that the variation in natural resources rents, initial human capital stock, and initial inequality in land ownership have significant impacts on contemporary economic growth rates in different countries. Furthermore, various political economy factors are controlled for in order to measure the effect of institutional quality. The estimation results show that the natural resources rents, initial inequality in land ownership, initial income, and government effectiveness influence GDP per capita growth rates with a statistical significance.

  9. Widespread Disulfide Bonding in Proteins from Thermophilic Archaea

    OpenAIRE

    Jorda, Julien; Yeates, Todd O.

    2011-01-01

    Disulfide bonds are generally not used to stabilize proteins in the cytosolic compartments of bacteria or eukaryotic cells, owing to the chemically reducing nature of those environments. In contrast, certain thermophilic archaea use disulfide bonding as a major mechanism for protein stabilization. Here, we provide a current survey of completely sequenced genomes, applying computational methods to estimate the use of disulfide bonding across the Archaea. Microbes belonging to the Crenarchaea...

  10. Handbook of wafer bonding

    CERN Document Server

    Ramm, Peter; Taklo, Maaike M V

    2011-01-01

    Written by an author and editor team from microsystems companies and industry-near research organizations, this handbook and reference presents dependable, first-hand information on bonding technologies.In the first part, researchers from companies and institutions around the world discuss the most reliable and reproducible technologies for the production of bonded wafers. The second part is devoted to current and emerging applications, including microresonators, biosensors and precise measuring devices.

  11. Diffusion bonding techniques

    International Nuclear Information System (INIS)

    Peters, R.D.

    1978-01-01

    The applications of diffusion bonding at the General Electric Neutron Devices Department are briefly discussed, with particular emphasis on the gold/gold or gold/indium joints made between metallized alumina ceramic parts in the vacuum switch tube and the crystal resonator programs. Fixtures which use the differential expansion of dissimilar metals are described and compared to one that uses hydraulic pressure to apply the necessary bonding force

  12. Modelling and simulation of the dynamic performance of a natural-gas turbine flowmeter

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Gonzalez, L.M. [Escuela Tecnica Superior de Ingenieria Industrial, Universidad de La Rioja, C/Luis de Ulloa, 20, E-26004 Logrono (La Rioja) (Spain); Sala, J.M.; Gonzalez-Bustamante, J.A. [Escuela Superior de Ingenieros Industriales de Bilbao, Universidad del Pais Vasco, Alameda de Urquijo, s/n 48013 Bilbao (Bizkaia) (Spain); Miguez, J.L. [Universidad de Vigo, Escuela Tecnica Superior de Ingenieros Industriales, C/Lagoas-Marcosende, s/n 36200 Vigo (Pontevedra) (Spain)

    2006-11-15

    Installations involving fluids often present problems in terms of the dynamic performances of their different parts. These problems can be analysed and dealt with at the design stage. This means that both the technologists who design the thermohydraulic process and those who carry out the regulation and control must be involved in the process from the early stages of the design. In this study, a dynamic model of the behaviour of a gas flowmeter has been developed, based on the laws of conservation of mass, linear momentum, energy and angular momentum. The model has been computerised via a software module. As there is no information available with which to compare the model's behaviour, a continuous rating validation has been carried out, using a comparison with the actual calibration curve of the flowmeter. The results obtained are satisfactory. (author)

  13. Measurement of natural radioactivity: Calibration and performance of a high-resolution gamma spectrometry facility

    DEFF Research Database (Denmark)

    Murray, A. S.; Helsted, L. M.; Autzen, M.

    2018-01-01

    Murray et al. (2015) described an international inter-comparison of dose rate measurements undertaken using a homogenised beach ridge sand from Jutland, Denmark. The measured concentrations for 226Ra, 232Th and 40K from different laboratories varied considerably, with relative standard deviations...... of 26% (n=8), 59% (n=23) and 15% (n=23), respectively. In contrast, the relative standard deviations observed internally within our laboratory were 9%, 11% and 7%, respectively (n=20), and in addition our mean values were consistent with the global 40K mean, but significantly different from the 232Th...... mean. These problems in both accuracy and precision have led us to examine both the long term performance of our analytical facility, and its calibration. Our approach to the preparation of new absolute 238U, 232Th and 40K standards is outlined and tested against international standards. We also report...

  14. Effect of design parameters on performance of a top fired natural gas reformer

    International Nuclear Information System (INIS)

    Ebrahimi, Hadi; Mohammadzadeh, Jafar S. Soltan; Zamaniyan, Akbar; Shayegh, Flora

    2008-01-01

    A three-dimensional zone method was applied to an industrial fired heater of methane steam reforming reactor. Radiation heat transfer from all gases and surfaces inside the furnace was considered. Results from previous work and data of an industrial top fired furnace were used to validate the model. A maximum temperature in external reaction tube skin was obtained at about one third of the reactor length from top in the industrial furnace. Effect of important parameters such as emissivity, extinction coefficient, heat release pattern and flame angle on performance of the fired heater are presented. It was found that decreasing the extinction coefficients of combustion gases by 25% (from about 0.20 to 0.15) caused 2.6% rise in temperature of heat sink surfaces. It was demonstrated that the three-dimensional zone method developed in this work is simple, easy and flexible for modeling and simulation of the fired heaters

  15. Natural disulfide bond-disrupted mutants of AVR4 of the tomato pathogen Cladosporium fulvum are sensitive to proteolysis, circumvent Cf-4-mediated resistance, but retain their chitin binding ability.

    NARCIS (Netherlands)

    Burg, van den H.A.; Westerink, N.; Francoijs, C.J.J.; Roth, R.; Woestenenk, E.A.; Boeren, J.A.; Wit, de P.J.G.M.; Joosten, M.H.A.J.; Vervoort, J.J.M.

    2003-01-01

    The extracellular AVR4 elicitor of the pathogenic fungus Cladosporium fulvum induces defense responses in the tomato genotype Cf-4. Here, the four disulfide bonds of AVR4 were identified as Cys-11-41, Cys-21-27, Cys-35-80, and Cys-57-72 by partial reduction with Tris-(2-carboxyethyl)-phosphine

  16. Performance evaluation of an advanced air-fuel ratio controller on a stationary, rich-burn natural gas engine

    Science.gov (United States)

    Kochuparampil, Roshan Joseph

    The advent of an era of abundant natural gas is making it an increasingly economical fuel source against incumbents such as crude oil and coal, in end-use sectors such as power generation, transportation and industrial chemical production, while also offering significant environmental benefits over these incumbents. Equipment manufacturers, in turn, are responding to widespread demand for power plants optimized for operation with natural gas. In several applications such as distributed power generation, gas transmission, and water pumping, stationary, spark-ignited, natural gas fueled internal combustion engines (ICEs) are the power plant of choice (over turbines) owing to their lower equipment and operational costs, higher thermal efficiencies across a wide load range, and the flexibility afforded to end-users when building fine-resolution horsepower topologies: modular size increments ranging from 100 kW -- 2 MW per ICE power plant compared to 2 -- 5 MW per turbine power plant. Under the U.S. Environment Protection Agency's (EPA) New Source Performance Standards (NSPS) and Reciprocating Internal Combustion Engine National Emission Standards for Hazardous Air Pollutants (RICE NESHAP) air quality regulations, these natural gas power plants are required to comply with stringent emission limits, with several states mandating even stricter emissions norms. In the case of rich-burn or stoichiometric natural gas ICEs, very high levels of sustained emissions reduction can be achieved through exhaust after-treatment that utilizes Non Selective Catalyst Reduction (NSCR) systems. The primary operational constraint with these systems is the tight air-fuel ratio (AFR) window of operation that needs to be maintained if the NSCR system is to achieve simultaneous reduction of carbon monoxide (CO), nitrogen oxides (NOx), total hydrocarbons (THC), volatile organic compounds (VOCs), and formaldehyde (CH 2O). Most commercially available AFR controllers utilizing lambda (oxygen

  17. Pricing index-based catastrophe bonds: Part 2: Object-oriented design issues and sensitivity analysis

    Science.gov (United States)

    Unger, André J. A.

    2010-02-01

    This work is the second installment in a two-part series, and focuses on object-oriented programming methods to implement an augmented-state variable approach to aggregate the PCS index and introduce the Bermudan-style call feature into the proposed CAT bond model. The PCS index is aggregated quarterly using a discrete Asian running-sum formulation. The resulting aggregate PCS index augmented-state variable is used to specify the payoff (principle) on the CAT bond based on reinsurance layers. The purpose of the Bermudan-style call option is to allow the reinsurer to minimize their interest rate risk exposure on making fixed coupon payments under prevailing interest rates. A sensitivity analysis is performed to determine the impact of uncertainty in the frequency and magnitude of hurricanes on the price of the CAT bond. Results indicate that while the CAT bond is highly sensitive to the natural variability in the frequency of landfalling hurricanes between El Ninõ and non-El Ninõ years, it remains relatively insensitive to uncertainty in the magnitude of damages. In addition, results indicate that the maximum price of the CAT bond is insensitive to whether it is engineered to cover low frequency high magnitude events in a 'high' reinsurance layer relative to high frequency low magnitude events in a 'low' reinsurance layer. Also, while it is possible for the reinsurer to minimize their interest rate risk exposure on the fixed coupon payments, the impact of this risk on the price of the CAT bond appears small relative to the natural variability in the CAT bond price, and consequently catastrophic risk, due to uncertainty in the frequency and magnitude of landfalling hurricanes.

  18. The Cost of Immediacy for Corporate Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Marco, Rossi

    Liquidity provision in the corporate bond market has become significantly more expensive after the 2008 credit crisis. Using index exclusions as a natural experiment during which uninformed index trackers request immediacy, we find that the price of immediacy has doubled for short-term investment...

  19. Improper, Blue-Shifting Hydrogen Bond

    Czech Academy of Sciences Publication Activity Database

    Hobza, Pavel; Havlas, Zdeněk

    2002-01-01

    Roč. 108, - (2002), s. 325-334 ISSN 1432-881X R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4055905; CEZ:AV0Z4040901 Keywords : improper, blue-shifting hydrogen bond * properties * nature Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.421, year: 2002

  20. Improved performance of microbial fuel cells enriched with natural microbial inocula and treated by electrical current

    International Nuclear Information System (INIS)

    Lin, Hongjian; Wu, Xiao; Miller, Curtis; Zhu, Jun

    2013-01-01

    Microbial fuel cells (MFCs) are increasingly attracting attention as a sustainable technology as they convert chemical energy in organic wastes to electricity. In this study, the effects of different inoculum sources (river sediment, activated sludge and anaerobic sludge) and electrical current stimulation were evaluated using single-chamber air-cathode MFCs as model reactors based on performance in enrichment process and electrochemical characteristics of the reactors. The result revealed the rapid anodic biofilm development and substrate utilization of the anaerobic sludge-inoculated MFC. It was also found that the river sediment-inoculated MFC achieved the highest power output of 195 μW, or 98 mW m −2 , due to better developed anodic biofilm confirmed by scanning electron microscopy. The current stimulation enhanced the anodic biofilm attachment over time, and therefore reduced the MFC internal resistance by 27%, increased the electrical capacitance by four folds, and improved the anodic biofilm resilience against substrate deprivation. For mature MFCs, a transient application of a negative voltage (−3 V) improved the cathode activity and maximum power output by 37%. This improvement was due to the bactericidal effect of the electrode potential higher than +1.5 V vs. SHE, demonstrating a substantial benefit of treating MFC cathode after long-term operation using suitable direct electrical current. -- Highlights: •Voltage stimulation (+2 V) during inoculation reduced MFC internal resistance and improved biofilm resilience. •Voltage stimulation increased biofilm electrical capacitance by 5-fold. •Negative voltage stimulation (−3 V) enhanced the maximum power output by 37%. •River sediment MFC obtained higher power due to better anodic biofilm coverage. •Anaerobic sludge quickly developed anodic biofilm for MFC and quickly utilized volatile fatty acids

  1. High performance nature of biodegradable polymeric nanocomposites for oil-well drilling fluids

    Directory of Open Access Journals (Sweden)

    Tarek M. Madkour

    2016-06-01

    Full Text Available Multi-walled carbon nanotube (MWCNT and graphene nanoplatelet reinforced thermoplastic poly(lactic acid (PLA biodegradable nanocomposites were designed and prepared using solution casting techniques. The prepared biodegradable polymers are expected to provide an environmentally friendly alternative to petroleum-based polymers. Both nanocomposite systems exhibited better thermal stability and improved mechanical performance over the unreinforced polymer exhibiting excellent strength and degradability. The addition of graphene nanofiller in varied amounts was aimed to enhance the thermal and mechanical properties of the nanocomposites even further and incorporate the outstanding characteristics of graphene nanoplatelets into the nanocomposites. The polymeric nanocomposites showed also superior advantages for oil drilling relevances, automotive lubricating purposes, membrane technology and food packaging. Scanning electron microscopy images indicated a homogeneous dispersion of the nanofiller within the polymeric matrix at low filler loadings and a cluster formation at higher loadings that could be responsible for the polymeric matrix movement restrictions. The enthalpy of mixing (the polymer and the nanofiller measured could explain the cause of the repulsive interactions between the nanoparticles and the polymeric chains, which created an additional excluded volume that the polymeric segments were restricted to occupy, thus forcing the conformational characteristics of the polymeric chains to deviate away from those of the bulk chains. The prepared polymeric nano composites (poly lactic acid carbon nano tube and poly lactic acid graphene nanoplatelets were utilized in the formulation of oil-base mud as a viscosifier. The rheological, filtration properties and electrical stability of the oil based mud formulation with the new polymeric nanocomposite were studied and the result compared to the oil-based mud formulation with commercial viscosifier.

  2. Does the Intramolecular Hydrogen Bond Affect the Spectroscopic Properties of Bicyclic Diazole Heterocycles?

    Directory of Open Access Journals (Sweden)

    Paweł Misiak

    2018-01-01

    Full Text Available The formation of an intramolecular hydrogen bond in pyrrolo[1,2-a]pyrazin-1(2H-one bicyclic diazoles was analyzed, and the influence of N-substitution on HB formation is discussed in this study. B3LYP/aug-cc-pVDZ calculations were performed for the diazole, and the quantum theory of atoms in molecules (QTAIM approach as well as the natural bond orbital (NBO method was applied to analyze the strength of this interaction. It was found that the intramolecular hydrogen bond that closes an extra ring between the C=O proton acceptor group and the CH proton donor, that is, C=O⋯H–C, influences the spectroscopic properties of pyrrolopyrazine bicyclic diazoles, particularly the carbonyl frequencies. The influence of N-substitution on the aromaticity of heterocyclic rings is also discussed in this report.

  3. Ab Initio Calculations on Halogen Bond Between N-Br and Electron-donating Groups

    Institute of Scientific and Technical Information of China (English)

    WANG Yan-hua; CHEN Xue-song; ZOU Jian-wei; YU Qing-sen

    2007-01-01

    Ab initio calculations of complexes formed between N-bromosuccinimide and a series of electron-donating groups were performed at the level of MP2/Lanl2DZ* to gain a deeper insight into the nature of the N-Br halogen stronger halogen-bonding complex than the C-Br. A comparison of neutral hydrogen bond complex series reveals that the electron-donating capacities of the atoms decrease in the order, N>O>S; O(sp3)>O(sp2), which is adequate for the C-Br halogen bonding. Interaction energies, in conjunction with the geometrical parameters show that the affinitive capacity of trihalide anions X-3 with N-bromosuccinimide are markedly lower than that of the corresponding X- with N-bromosuccinimide, even lower than those of neutral molecules with N-bromosuccinimide. AIM analyses further confirmed the above results.

  4. The social life of bonding theory.

    Science.gov (United States)

    Crouch, M; Manderson, L

    1995-09-01

    'Bonding' as a crucial factor of the early post-partum entered obstetric and paediatric practice after the publication of Maternal and Infant Bonding in 1976 by Klaus and Kennell. The concept has held its place since, as witnessed by medical textbook accounts of it, and the perception of 'instantaneous bonding' as a vital component of the ideal birth experience has dominated media representations of childbirth and, until very recently, feminist writing. Only during the last few years has this literature taken into account research findings concerning the guilt and anxiety experienced by women whose expectations regarding 'bonding' are not realised. While it is now generally acknowledged that maternal attachment develops over an extended period of time, 'bonding' as used extensively in both popular and scientific literature conflates a wide range of meanings and blurs the boundaries between process and outcome. This facilitates the entry of ideological elements into a field which is, by its very nature, deeply significant for human experience. We therefore argue for a continuing critical appraisal of the role of 'bonding' in both general and scientific research.

  5. Performance differences of Rhode Island Red, Bashang Long-tail Chicken, and their reciprocal crossbreds under natural cold stress.

    Science.gov (United States)

    Xie, Shanshan; Yang, Xukai; Gao, Yahui; Jiao, Wenjie; Li, Xinghua; Li, Yajie; Ning, Zhonghua

    2017-10-01

    The Bashang Long-tail chicken (BS), an indigenous Chinese breed, is considered cold tolerant. We selected BS, the Rhode Island Red (RIR), and their reciprocal crossbreds for the present study. The objectives were: i) to validate whether BS is cold tolerant and whether egg production and cold tolerance of crossbreds could be improved; and ii) to determine the physiological characteristics that underlie cold tolerance and favorable egg production performance in cold environments. A total of 916 chickens were reared in warm and natural cold environments (daily mean ambient temperature varied from 7.4°C to 26.5°C in the warm environment and from -17.5°C to 27.0°C in the cold environment). To investigate their adaptability to the cold environment, the egg production performance and body weight were monitored and compared between breeds and environments. The cloacal temperature and serum biochemical parameters were monitored to reveal the physiological characteristics underlie cold tolerance and favorable egg production performance in the cold environment. The warm environment experiment showed that RIR had the highest egg production performance, and that the reciprocal crossbreds had a higher egg production performance than BS. While in the cold environment RIR had the lowest egg production performance, and the reciprocal crossbreds had a higher egg production performance than BS. In the cold environment BS and reciprocal crossbreds had higher triiodothyronine, tetraiodothyronine levels than RIR. At 35 and 39 wk of age, when the ambient temperature was extremely low (varied from -20°C to 0°C), serum glucose, follicle-stimulating hormone, luteinizing hormone, estradiol of BS and crossbreds were higher than RIR. Bashang Long-tail chicken has a favorable cold tolerance ability. Crossbreeding with RIR and BS is an effective way to develop cold tolerant chickens with improved egg production performance.

  6. PATINA Network - Performance of coil coating in natural atmospheres of Ibero-America

    Directory of Open Access Journals (Sweden)

    Rosales, B. M.

    2003-12-01

    Full Text Available The research work performed on 12 coil coating materials in the frame of the PATINA Network (Anticorrosive Protection in the Atmosphere sponsored by CYTED is discussed. It includs the task accomplished by Science and Technology institutions of Ibero-America on formulations supplied by different prcoduction Sector companies from the participating countries, between 1996 and 2000. Coil coating schemes were exposed outdoors, according to ISO 2810 standards, in 9 ambient conditions of the MICAT (Ibero-American Test Stations Network, CYTED. The protective characteristics on the steel base metal was determined as a function of time, following ISO 4628 and ASTM D 3274 standards. Electrochemical impedance spectroscopy (EIS was applied on various materials after 1, 2, 3 years and 42 months exposure, to evaluate the weathering effect in different atmospheric conditions.

    Se discute el trabajo realizado sobre 12 diferentes recubrimientos para banda continua en el marco de la Red PATINA (Protección Anticorrosiva en la Atmósfera, patrocinada por el CYTED. Incluye las actividades llevadas a cabo por instituciones de Ciencia y Técnica de Iberoamérica, sobre distintas formulaciones provistas por empresas productoras de los países participantes, entre 1996 y 1999. Se expusieron a la intemperie, en distintas condiciones ambientales de la Red de Estaciones MICAT, CYTED, siguiendo la norma ISO 2810, recubrimientos de diferentes formulaciones. Se evaluaron las características protectoras sobre el acero de base en función de los parámetros medio-ambientales y los tiempos de exposición programados, según la normas ISO 4628, 4623 y ASTM D 3274. Se aplicaron dos esquemas de protección orgánicos sobre las muestras de acero, otros cuatro sobre muestras de acero previamente protegido con Zn y otros seis sobre acero galvanizado (2 y recubierto con galvalume (4, con y sin incisión en cada esquema hasta llegar el acero. Se discuten los resultados obtenidos

  7. PERFORMANCE OF MASHONA COWS REARED ON NATURAL RANGELANDS WITH NON-CONVENTIONAL PROTEIN SUPPLEMENTATION IN THE DRY SEASON, ZIMBABWE

    Directory of Open Access Journals (Sweden)

    Jacob Gusha

    2015-12-01

    Full Text Available Performance of animals in smallholder farming systems is hindered by feed availability and feed costs that make up 60-70% of total variable cost in a farming system. The use of non-conventional feedstuffs is an alternative which can be adopted to minimize feeding costs. The study was conducted to evaluate performance of animals fed with supplements formulated on-farm in comparison with a commercial prepared supplement. Thirty Mashona cows were grouped according to age and subjected to five treatments, given twice a week from the 1st of September until 31st December for three subsequent years. The five treatment diets, beef survival meal (BSM, urea treated maize stover (UTS, Leucaena leucocephala meal (LLM, mixed forage meal (MFM and natural pastures (NP were randomly assigned to cows in a complete randomised design (CRD. Average weight gains were determined. Performance in the first year was not significantly different across treatments. In the subsequent years, performance remained low in the NP. Average weight gains increased in the second and third years and was significantly different across treatments (P<0.05. Performance of animals supplemented with non-conventional feed was comparable to those offered commercial BFM; hence LLM and UTS can be used as alternative protein supplements especially in resource-constrained farming systems. Â

  8. Evaluation between ultrahigh pressure liquid chromatography and high-performance liquid chromatography analytical methods for characterizing natural dyestuffs.

    Science.gov (United States)

    Serrano, Ana; van Bommel, Maarten; Hallett, Jessica

    2013-11-29

    An evaluation was undertaken of ultrahigh pressure liquid chromatography (UHPLC) in comparison to high-performance liquid chromatography (HPLC) for characterizing natural dyes in cultural heritage objects. A new UHPLC method was optimized by testing several analytical parameters adapted from prior UHPLC studies developed in diverse fields of research. Different gradient elution programs were tested on seven UHPLC columns with different dimensions and stationary phase compositions by applying several mobile phases, flow rates, temperatures, and runtimes. The UHPLC method successfully provided more improved data than that achieved by the HPLC method. Indeed, even though carminic acid has shown circa 146% higher resolution with HPLC, UHPLC resulted in an increase of 41-61% resolution and a decrease of 91-422% limit of detection, depending on the dye compound. The optimized method was subsequently assigned to analyse 59 natural reference materials, in which 85 different components were ascribed with different physicochemical properties, in order to create a spectral database for future characterization of dyes in cultural heritage objects. The majority of these reference samples could be successfully distinguished with one single method through the examination of these compounds' retention times and their spectra acquired with a photodiode array detector. These results demonstrate that UHPLC analyses are extremely valuable for the acquisition of more precise chromatographic information concerning natural dyes with complex mixtures of different and/or closely related physicochemical properties, essential for distinguishing similar species of plants and animals used to colour cultural heritage objects. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. The chemical bond as an emergent phenomenon.

    Science.gov (United States)

    Golden, Jon C; Ho, Vinh; Lubchenko, Vassiliy

    2017-05-07

    We first argue that the covalent bond and the various closed-shell interactions can be thought of as symmetry broken versions of one and the same interaction, viz., the multi-center bond. We use specially chosen molecular units to show that the symmetry breaking is controlled by density and electronegativity variation. We show that the bond order changes with bond deformation but in a step-like fashion, regions of near constancy separated by electronic localization transitions. These will often cause displacive transitions as well so that the bond strength, order, and length are established self-consistently. We further argue on the inherent relation of the covalent, closed-shell, and multi-center interactions with ionic and metallic bonding. All of these interactions can be viewed as distinct sectors on a phase diagram with density and electronegativity variation as control variables; the ionic and covalent/secondary sectors are associated with on-site and bond-order charge density wave, respectively, the metallic sector with an electronic fluid. While displaying a contiguity at low densities, the metallic and ionic interactions represent distinct phases separated by discontinuous transitions at sufficiently high densities. Multi-center interactions emerge as a hybrid of the metallic and ionic bond that results from spatial coexistence of delocalized and localized electrons. In the present description, the issue of the stability of a compound is that of the mutual miscibility of electronic fluids with distinct degrees of electron localization, supra-atomic ordering in complex inorganic compounds coming about naturally. The notions of electronic localization advanced hereby suggest a high throughput, automated procedure for screening candidate compounds and structures with regard to stability, without the need for computationally costly geometric optimization.

  10. Relationship between surface area for adhesion and tensile bond strength--evaluation of a micro-tensile bond test.

    Science.gov (United States)

    Sano, H; Shono, T; Sonoda, H; Takatsu, T; Ciucchi, B; Carvalho, R; Pashley, D H

    1994-07-01

    The purpose of this study was to test the null hypothesis that there is no relationship between the bonded surface area of dentin and the tensile strength of adhesive materials. The enamel was removed from the occlusal surface of extracted human third molars, and the entire flat surface was covered with resin composite bonded to the dentin to form a flat resin composite crown. Twenty-four hours later, the bonded specimens were sectioned parallel to the long axis of the tooth into 10-20 thin sections whose upper part was composed of resin composite with the lower half being dentin. These small sections were trimmed using a high speed diamond bur into an hourglass shape with the narrowest portion at the bonded interface. Surface area was varied by altering the specimen thickness and width. Tensile bond strength was measured using custom-made grips in a universal testing machine. Tensile bond strength was inversely related to bonded surface area. At surface areas below 0.4 mm2, the tensile bond strengths were about 55 MPa for Clearfil Liner Bond 2 (Kuraray Co., Ltd.), 38 MPa for Scotchbond MP (3M Dental Products), and 20 MPa for Vitremer (3M Dental Products). At these small surface areas all of the bond failures were adhesive in nature. This new method permits measurement of high bond strengths without cohesive failure of dentin. It also permits multiple measurements to be made within a single tooth.

  11. Effect of dye extracting solvents and sensitization time on photovoltaic performance of natural dye sensitized solar cells

    Science.gov (United States)

    Hossain, Md. Khalid; Pervez, M. Firoz; Mia, M. N. H.; Mortuza, A. A.; Rahaman, M. S.; Karim, M. R.; Islam, Jahid M. M.; Ahmed, Farid; Khan, Mubarak A.

    In this study, natural dye sensitizer based solar cells were successfully fabricated and photovoltaic performance was measured. Sensitizer (turmeric) sources, dye extraction process, and photoanode sensitization time of the fabricated cells were analyzed and optimized. Dry turmeric, verdant turmeric, and powder turmeric were used as dye sources. Five distinct types of solvents were used for extraction of natural dye from turmeric. Dyes were characterized by UV-Vis spectrophotometric analysis. The extracted turmeric dye was used as a sensitizer in the dye sensitized solar cell's (DSSC) photoanode assembly. Nano-crystalline TiO2 was used as a film coating semiconductor material of the photoanode. TiO2 films on ITO glass substrate were prepared by simple doctor blade technique. The influence of the different parameters VOC, JSC, power density, FF, and η% on the photovoltaic characteristics of DSSCs was analyzed. The best energy conversion performance was obtained for 2 h adsorption time of dye on TiO2 nano-porous surface with ethanol extracted dye from dry turmeric.

  12. Natural antioxidant ice cream acutely reduces oxidative stress and improves vascular function and physical performance in healthy individuals.

    Science.gov (United States)

    Sanguigni, Valerio; Manco, Melania; Sorge, Roberto; Gnessi, Lucio; Francomano, Davide

    2017-01-01

    The formation of reactive oxygen species (ROS) contributes to the pathogenesis and progression of several diseases. Polyphenols have been shown to be beneficial against ROS. The aim of this study was to evaluate the effects of a natural antioxidant ice cream on oxidative stress, vascular function, and physical performance. In this controlled, single-blind, crossover study, 14 healthy individuals were randomized to consume 100 g of either antioxidant ice cream containing dark cocoa powder and hazelnut and green tea extracts or milk chocolate ice cream (control ice cream). Participants were studied at baseline and 2 h after ingesting ice cream. Serum polyphenols, antioxidant status (ferric-reducing ability of plasma [FRAP]), nitric oxide (NOx) bioavailability, markers of oxidative stress (determination of reactive oxygen metabolites [d-ROMs] and hydrogen peroxide [H 2 O 2 ]), endothelium function (flow-mediated dilation [FMD] and reactive hyperemia index [RHI]), and exercise tolerance (stress test) were assessed, and the double product was measured. Serum polyphenols (P ice cream ingestion. No changes were found after control ice cream ingestion. To our knowledge, this is the first study to demonstrate that a natural ice cream rich in polyphenols acutely improved vascular function and physical performance in healthy individuals through a reduction in oxidative stress. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Romanian government bond market

    Directory of Open Access Journals (Sweden)

    Cornelia POP

    2012-12-01

    Full Text Available The present paper aims to present the level of development reached by Romanian government bond market segment, as part of the country financial market. The analysis will be descriptive (the data series available for Romania are short, based on the secondary data offered by the official bodies involved in the process of issuing and trading the Romanian government bonds (Romanian Ministry of Public Finance, Romanian National Bank and Bucharest Stock Exchange, and also on secondary data provided by the Federation of European Stock Exchanges.To enhance the market credibility as a benchmark, a various combination of measures is necessary; among these measures are mentioned: the extension of the yield curve; the issuance calendars in order to improve transparency; increasing the disclosure of information on public debt issuance and statistics; holding regular meetings with dealers, institutional investors and rating agencies; introducing a system of primary dealers; establishing a repurchase (repo market in the government bond market. These measures will be discussed based on the evolution presented inside the paper.The paper conclude with the fact that, until now, the Romanian government bond market did not provide a benchmark for the domestic financial market and that further efforts are needed in order to increase the government bond market transparency and liquidity.

  14. Interstellar hydrogen bonding

    Science.gov (United States)

    Etim, Emmanuel E.; Gorai, Prasanta; Das, Ankan; Chakrabarti, Sandip K.; Arunan, Elangannan

    2018-06-01

    This paper reports the first extensive study of the existence and effects of interstellar hydrogen bonding. The reactions that occur on the surface of the interstellar dust grains are the dominant processes by which interstellar molecules are formed. Water molecules constitute about 70% of the interstellar ice. These water molecules serve as the platform for hydrogen bonding. High level quantum chemical simulations for the hydrogen bond interaction between 20 interstellar molecules (known and possible) and water are carried out using different ab-intio methods. It is evident that if the formation of these species is mainly governed by the ice phase reactions, there is a direct correlation between the binding energies of these complexes and the gas phase abundances of these interstellar molecules. Interstellar hydrogen bonding may cause lower gas abundance of the complex organic molecules (COMs) at the low temperature. From these results, ketenes whose less stable isomers that are more strongly bonded to the surface of the interstellar dust grains have been observed are proposed as suitable candidates for astronomical observations.

  15. Safe and Liquid Mortgage Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Gyntelberg, Jacob; Lund, Jesper

    This paper shows that strict match pass-through funding of covered bonds provides safe and liquid mortgage bonds. Despite a 30% drop in house prices during the 2008 global crisis Danish mortgage bonds remained as liquid as most European government bonds. The Danish pass-through system effectively...... eliminates credit risk from the investor's perspective. Similar to other safe bonds, funding liquidity becomes the main driver of mortgage bond liquidity and this creates commonality in liquidity across markets and countries. These findings have implications for how to design a robust mortgage bond system...

  16. Dioxines, furans and other pollutants emissions bond to the combustion of natural and additive woods; Facteurs d'emission. Emissions de dioxines, de furanes et d'autres polluants liees a la combustion de bois naturels et adjuvantes

    Energy Technology Data Exchange (ETDEWEB)

    Collet, S

    2000-02-15

    This report deals especially on the dioxines and furans bond to the combustion of wood in industrial furnaces and domestic furnaces. It aims to define the environmental strategy which would allow the combustion of wood residues to produce energy. The first part recalls general aspects concerning the wood. The six other parts presents the wood resources and wastes, the additive used, the combustion and the different factors of combustion and finally the pollutants emissions. (A.L.B.)

  17. Factors affecting the shear bond strength of metal and ceramic brackets bonded to different ceramic surfaces.

    Science.gov (United States)

    Abu Alhaija, Elham S J; Abu AlReesh, Issam A; AlWahadni, Ahed M S

    2010-06-01

    The aims of this study were to evaluate the shear bond strength (SBS) of metal and ceramic brackets bonded to two different all-ceramic crowns, IPS Empress 2 and In-Ceram Alumina, to compare the SBS between hydrofluoric acid (HFA), phosphoric acid etched, and sandblasted, non-etched all-ceramic surfaces. Ninety-six all-ceramic crowns were fabricated resembling a maxillary left first premolar. The crowns were divided into eight groups: (1) metal brackets bonded to sandblasted 9.6 per cent HFA-etched IPS Empress 2 crowns; (2) metal brackets bonded to sandblasted 9.6 per cent HFA-etched In-Ceram crowns; (3) ceramic brackets bonded to sandblasted 9.6 per cent HFA-etched IPS Empress 2 crowns; (4) ceramic brackets bonded to sandblasted 9.6 per cent HFA-etched In-Ceram crowns; (5) metal brackets bonded to sandblasted 37 per cent phosphoric acid-etched IPS Empress 2 crowns; (6) metal brackets bonded to sandblasted 37 per cent phosphoric acid-etched In-Ceram crowns; (7) metal brackets bonded to sandblasted, non-etched IPS Empress 2 crowns; and (8) metal brackets bonded to sandblasted, non-etched In-Ceram crowns. Metal and ceramic orthodontic brackets were bonded using a conventional light polymerizing adhesive resin. An Instron universal testing machine was used to determine the SBS at a crosshead speed of 0.1 mm/minute. Comparison between groups was performed using a univariate general linear model and chi-squared tests. The highest mean SBS was found in group 3 (120.15 +/- 45.05 N) and the lowest in group 8 (57.86 +/- 26.20 N). Of all the variables studied, surface treatment was the only factor that significantly affected SBS (P Empress 2 and In-Ceram groups.

  18. Conformation and hydrogen bonding in 4-Aminobutanol

    Science.gov (United States)

    Khalil, Andrew S.; Duguay, Taylor M.; Lavrich, Richard J.

    2017-06-01

    Rotational spectra of the most abundant and four 13C isotopomers of 4-aminobutanol have been recorded in natural abundance using a Fourier-transform microwave spectrometer. For the most abundant isotopomer, 56 hyperfine components from the fifteen a- and b-type transitions measured were fit to the quadupole coupling constants, χaa = -3.843(3) MHz, χbb = 1.971(3) MHz. Rotational and centrifugal distortion constants determined from fits of the resulting unsplit line centers to the Watson A-reduction Hamiltonian are A = 4484.893(3) MHz, B = 2830.721(1) MHz, C = 1942.9710(3) MHz, ΔJ = 0.98(3) kHz, ΔJK = 1.4(1) kHz, ΔK = - 2.6(5) kHz, δJ = 0.27(1) kHz, and δK = 1.7(1) kHz. Between nine and eleven rotational transitions were measured for the 13C isotopes and rotational constants were determined by fixing the distortion constants to the values found for the normal isotope. The five sets of moments of inertia were used to determine the 4-aminobutanol substitution structure as well to perform a least-squares fit of the lowest energy ab initio structure. The heavy atom coordinates determined from these two methods are in excellent agreement. The conformation of 4-aminobutanol is stabilized by an intramolecular hydrogen bond from the alcohol proton to amino nitrogen with a resulting hydrogen bond distance of 1.891 Å. The experimental structure is consistent with the lowest energy ab initio [MP2/6-311++G(d,p)] structure.

  19. EFFECT OF THE FILL VENTILATION WINDOW ON PERFORMANCE OF A NATURAL DRAFT COOLING TOWER SUBJECTED TO CROSS-WINDS

    Directory of Open Access Journals (Sweden)

    K. V. Dobrego

    2016-01-01

    Full Text Available Various aerodynamic design elements and technics (wind deflectors, wind walls, etc. are utilized for improvement of the thermal efficiency of the natural draft cooling towers, particularly in conditions of cross wind. One of the technical methods, proposed by engineers of Belarus Academy of Sciences, is installation of the ventilation window in the center of the fill. This method is substantiated by the fact that the flow of cooling gas obtains maximum temperature and humidity near the center of the under-fill space of cooling tower and, as a consequence, performs minimal heat exchange. The influence of the fill ventilation window and wind deflectors in the inlet windows of the cooling tower on its thermal performance in condition of cross-wind is investigated in the paper numerically. The cooling tower of the “Woo-Jin” power plant (China 150 m of the height and 114 m of the base diameter was taken as a prototype. The analogy (equivalence between the heat and mass transfer was taken into consideration, which enabled us to consider single-phase flow and perform complicated 3D simulation by using modern personal computers. Heat transfer coefficient for the fill and its hydrodynamic resistance were defined by using actual data on total flow rate in the cooling tower. The numerical model and computational methods were tested and verified in numerous previous works. The non-linear dependence of the thermal performance of the cooling tower on wind velocity (with the minimum in vicinity of Ucr ~ 8 m/s for the simulated system was demonstrated. Calculations show that in the condition of the average wind speed the fill ventilation window doesn’t improve, but slightly decrease (by 3–7 % performance of the cooling tower. Situation changes in the condition of strong winds Ucw > 12 m/s, which are not typical for Belarus. Utilization of airflow deflectors at the inlet windows of cooling tower, conversely, increases thermal performance of the

  20. Alternate source term models for Yucca Mountain performance assessment based on natural analog data and secondary mineral solubility

    International Nuclear Information System (INIS)

    Murphy, W.M.; Codell, R.B.

    1999-01-01

    Performance assessment calculations for the proposed high level radioactive waste repository at Yucca Mountain, Nevada, were conducted using the Nuclear Regulatory Commission Total-System Performance Assessment (TPA 3.2) code to test conceptual models and parameter values for the source term based on data from the Pena Blanca, Mexico, natural analog site and based on a model for coprecipitation and solubility of secondary schoepite. In previous studies the value for the maximum constant oxidative alteration rate of uraninite at the Nopal I uranium body at Pena Blanca was estimated. Scaling this rate to the mass of uranium for the proposed Yucca Mountain repository yields an oxidative alteration rate of 22 kg/y, which was assumed to be an upper limit on the release rate from the proposed repository. A second model was developed assuming releases of radionuclides are based on the solubility of secondary schoepite as a function of temperature and solution chemistry. Releases of uranium are given by the product of uranium concentrations at equilibrium with schoepite and the flow of water through the waste packages. For both models, radionuclides other than uranium and those in the cladding and gap fraction were modeled to be released at a rate proportional to the uranium release rate, with additional elemental solubility limits applied. Performance assessment results using the Pena Blanca oxidation rate and schoepite solubility models for Yucca Mountain were compared to the TPA 3.2 base case model, in which release was based on laboratory studies of spent fuel dissolution, cladding and gap release, and solubility limits. Doses calculated using the release rate based on natural analog data and the schoepite solubility models were smaller than doses generated using the base case model. These results provide a degree of confidence in safety predictions using the base case model and an indication of how conservatism in the base case model may be reduced in future analyses

  1. Alternate source term models for Yucca Mountain performance assessment based on natural analog data and secondary mineral solubility

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, W.M.; Codell, R.B.

    1999-07-01

    Performance assessment calculations for the proposed high level radioactive waste repository at Yucca Mountain, Nevada, were conducted using the Nuclear Regulatory Commission Total-System Performance Assessment (TPA 3.2) code to test conceptual models and parameter values for the source term based on data from the Pena Blanca, Mexico, natural analog site and based on a model for coprecipitation and solubility of secondary schoepite. In previous studies the value for the maximum constant oxidative alteration rate of uraninite at the Nopal I uranium body at Pena Blanca was estimated. Scaling this rate to the mass of uranium for the proposed Yucca Mountain repository yields an oxidative alteration rate of 22 kg/y, which was assumed to be an upper limit on the release rate from the proposed repository. A second model was developed assuming releases of radionuclides are based on the solubility of secondary schoepite as a function of temperature and solution chemistry. Releases of uranium are given by the product of uranium concentrations at equilibrium with schoepite and the flow of water through the waste packages. For both models, radionuclides other than uranium and those in the cladding and gap fraction were modeled to be released at a rate proportional to the uranium release rate, with additional elemental solubility limits applied. Performance assessment results using the Pena Blanca oxidation rate and schoepite solubility models for Yucca Mountain were compared to the TPA 3.2 base case model, in which release was based on laboratory studies of spent fuel dissolution, cladding and gap release, and solubility limits. Doses calculated using the release rate based on natural analog data and the schoepite solubility models were smaller than doses generated using the base case model. These results provide a degree of confidence in safety predictions using the base case model and an indication of how conservatism in the base case model may be reduced in future analyses.

  2. Facile fabrication of polyaniline nanotubes using the self-assembly behavior based on the hydrogen bonding: a mechanistic study and application in high-performance electrochemical supercapacitor electrode

    International Nuclear Information System (INIS)

    Wu, Wenling; Pan, Duo; Li, Yanfeng; Zhao, Guanghui; Jing, Lingyun; Chen, Suli

    2015-01-01

    At present, the in situ synthesis of polyaniline (PANI) nanotubes via self-assembly of organic dopant acid is a particularly charming task in supercapacitors. Herein, we report the formation of uniform PANI nanotubes doped with malic acid (MA) and other organic acids, such as propionic acid (PA), succinic acid (SA), tartaric acid (TA) and citric acid (CA), which simultaneously acts as a dopant acid as well as a structure-directing agent. The morphology, structure and thermal stability of PANI nanotubes were characterized by means of scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), Raman spectra, Ultraviolet-visible spectra (UV–vis), X-ray diffraction (XRD), thermogravimetric analysis (TGA). Meanwhile, the electrochemical performance of the fabricated electrodes was evaluated by cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), and electrochemical impedance spectroscopy (EIS). Furthermore, the PANI-MA and PANI-CA nanotubes, with [aniline]/[acid] molar ratio of 4:1, possessed highest specific capacitance of 658 F/g and 617 F/g at the current density of 0.1 A/g in 1.0 M H 2 SO 4 electrolyte due to their unique nanotubular structures. It makes PANI nanotubes a promising electrode material for high performance supercapacitors

  3. Comparison of shear bond strength between unfilled resin to dry enamel and dentin bonding to moist and dry enamel

    Directory of Open Access Journals (Sweden)

    Yasini E.

    2005-05-01

    Full Text Available Statement of Problem: The use of dentine bondings on enamel and dentin in total etch protocols has recently become popular. Unfilled resin is hydrophobic and dentin bonding is hydrophilic in nature. This chemical difference could be effective in enamel bonding process. Purpose: The aim of this study was to compare the shear bond strength of unfilled resin to dry enamel and dentin bonding to dry and moist enamel. Materials and Methods: In this experimental study, a total of 30 incisor teeth were used. The specimens were randomly assigned to three groups of 10. 37% phosphoric acid etchant was applied to the enamel surfaces in each group for 15 seconds, rinsed with water for 20 seconds and dried for 20 seconds with compressed air in groups one and two. After conditioning, group 1 received unfilled resin (Margin Bond, Colten and group 2 received dentin bonding (Single Bond, 3M and in group 3 after conditioning and rinsing with water, a layer of dentin bonding (Single Bond was applied on wet enamel. The enamel and dentin bonding were light cured for 20 seconds. A ring mold 3.5 mm in diameter and 2 mm height was placed over the specimens to receive the composite filling material (Z100, 3M. The composite was cured for 40 seconds. The specimens were thermocycled and shear bond strengths were determined using an Instron Universal Testing Machine. The findings were analyzed by ANOVA One-Way and Tukey HSD tests. Results: Shear bond strength of dentin bonding to dry enamel was significantly less than unfilled resin to dry enamel (P<0.05. There was no significant difference between the bond strength of dentin bonding to moist and dry enamel. In addition bond strength of dentin bonding to wet enamel was not significantly different from unfilled resin to dry enamel. Conclusion: Based on the findings of this study, it is suggested that enamel surface should remain slightly moist after etching before bonding with single bond but when using unfilled resin, the

  4. Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.

    Science.gov (United States)

    Kenny, Peter W; Montanari, Carlos A; Prokopczyk, Igor M; Ribeiro, Jean F R; Sartori, Geraldo Rodrigues

    2016-05-12

    Hydrogen bonding is discussed in the context of medicinal chemistry design. Minimized molecular electrostatic potential (Vmin) is shown to be an effective predictor of hydrogen bond basicity (pKBHX), and predictive models are presented for a number of hydrogen bond acceptor types relevant to medicinal chemistry. The problems posed by the presence of nonequivalent hydrogen bond acceptor sites in molecular structures are addressed by using nonlinear regression to fit measured pKBHX to calculated Vmin. Predictions are made for hydrogen bond basicity of fluorine in situations where relevant experimental measurements are not available. It is shown how predicted pKBHX can be used to provide insight into the nature of bioisosterism and to profile heterocycles. Examples of pKBHX prediction for molecular structures with multiple, nonequivalent hydrogen bond acceptors are presented.

  5. Widespread Disulfide Bonding in Proteins from Thermophilic Archaea

    Directory of Open Access Journals (Sweden)

    Julien Jorda

    2011-01-01

    Full Text Available Disulfide bonds are generally not used to stabilize proteins in the cytosolic compartments of bacteria or eukaryotic cells, owing to the chemically reducing nature of those environments. In contrast, certain thermophilic archaea use disulfide bonding as a major mechanism for protein stabilization. Here, we provide a current survey of completely sequenced genomes, applying computational methods to estimate the use of disulfide bonding across the Archaea. Microbes belonging to the Crenarchaeal branch, which are essentially all hyperthermophilic, are universally rich in disulfide bonding while lesser degrees of disulfide bonding are found among the thermophilic Euryarchaea, excluding those that are methanogenic. The results help clarify which parts of the archaeal lineage are likely to yield more examples and additional specific data on protein disulfide bonding, as increasing genomic sequencing efforts are brought to bear.

  6. Widespread disulfide bonding in proteins from thermophilic archaea.

    Science.gov (United States)

    Jorda, Julien; Yeates, Todd O

    2011-01-01

    Disulfide bonds are generally not used to stabilize proteins in the cytosolic compartments of bacteria or eukaryotic cells, owing to the chemically reducing nature of those environments. In contrast, certain thermophilic archaea use disulfide bonding as a major mechanism for protein stabilization. Here, we provide a current survey of completely sequenced genomes, applying computational methods to estimate the use of disulfide bonding across the Archaea. Microbes belonging to the Crenarchaeal branch, which are essentially all hyperthermophilic, are universally rich in disulfide bonding while lesser degrees of disulfide bonding are found among the thermophilic Euryarchaea, excluding those that are methanogenic. The results help clarify which parts of the archaeal lineage are likely to yield more examples and additional specific data on protein disulfide bonding, as increasing genomic sequencing efforts are brought to bear.

  7. Improving performance of natural language processing part-of-speech tagging on clinical narratives through domain adaptation.

    Science.gov (United States)

    Ferraro, Jeffrey P; Daumé, Hal; Duvall, Scott L; Chapman, Wendy W; Harkema, Henk; Haug, Peter J

    2013-01-01

    Natural language processing (NLP) tasks are commonly decomposed into subtasks, chained together to form processing pipelines. The residual error produced in these subtasks propagates, adversely affecting the end objectives. Limited availability of annotated clinical data remains a barrier to reaching state-of-the-art operating characteristics using statistically based NLP tools in the clinical domain. Here we explore the unique linguistic constructions of clinical texts and demonstrate the loss in operating characteristics when out-of-the-box part-of-speech (POS) tagging tools are applied to the clinical domain. We test a domain adaptation approach integrating a novel lexical-generation probability rule used in a transformation-based learner to boost POS performance on clinical narratives. Two target corpora from independent healthcare institutions were constructed from high frequency clinical narratives. Four leading POS taggers with their out-of-the-box models trained from general English and biomedical abstracts were evaluated against these clinical corpora. A high performing domain adaptation method, Easy Adapt, was compared to our newly proposed method ClinAdapt. The evaluated POS taggers drop in accuracy by 8.5-15% when tested on clinical narratives. The highest performing tagger reports an accuracy of 88.6%. Domain adaptation with Easy Adapt reports accuracies of 88.3-91.0% on clinical texts. ClinAdapt reports 93.2-93.9%. ClinAdapt successfully boosts POS tagging performance through domain adaptation requiring a modest amount of annotated clinical data. Improving the performance of critical NLP subtasks is expected to reduce pipeline error propagation leading to better overall results on complex processing tasks.

  8. Natural Gas Variability In California: Environmental Impacts And Device Performance Combustion Modeling of Pollutant Emissions From a Residential Cooking Range

    Energy Technology Data Exchange (ETDEWEB)

    Tonse, S. R.; Singer, B. C.

    2011-07-01

    As part of a larger study of liquefied natural gas impacts on device performance and pollutant emissions for existing equipment in California, this report describes a cmoputer modeling study of a partially premixed flame issueing from a single cooktop burner port. The model consisted of a reactive computational fluid dynamics three-dimensional spatial grid and a 71-species chemical mechanism with propane combustion capability. Simulations were conducted with a simplified fuel mixture containing methane, ethane, and propane in proportions that yield properties similar to fuels distributed throughout much of California now and in recent years (baseline fuel), as well as with two variations of simulated liquefied natural gas blends. A variety of simulations were conducted with baseline fuel to explore the effect of several key parameters on pollutant formation and other flame characteristics. Simulations started with fuel and air issuing through the burner port, igniting, and continuing until the flame was steady with time. Conditions at this point were analyzed to understand fuel, secondary air and reaction product flows, regions of pollutant formation, and exhaust concentrations of carbon monoxide, nitric oxide and formaldehyde. A sensitivity study was conducted, varying the inflow parameters of this baseline gs about real-world operating conditions. Flame properties responded as expected from reactive flow theory. In the simulation, carbon monoxide levels were influenced more by the mixture's inflow velocity than by the gas-to-air ratio in the mixture issuing from the inflow port. Additional simulations were executed at two inflow conditions - high heat release and medium heat release - to examine the impact of replacing the baseline gas with two mixtures representative of liquefied natural gas. Flame properties and pollutant generation rates were very similar among the three fuel mixtures.

  9. Modelling the long-term isolation performance of natural and engineered geologic CO{sub 2} storage sites

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J.W.; Nitao, J.J.; Morris, J.P. [California Univ., Livermore, CA (United States). Lawrence Livermore National Laboratory

    2005-07-01

    Caprock integrity is an important constraint on the long-term performance of natural and engineered carbon dioxide (CO{sub 2}) sequestration sites. Influxes of CO{sub 2} can lead to concomitant geochemical alteration and geomechanical deformation of the caprock and degrade seal integrity. In this study, reactive transport modelling was used to assess the evolution of caprock permeability. The model was based on mathematical models of the coupled physical and chemical processes catalyzed by an influx event, along with supporting geochemical databases and a distinct-element geomechanical model. Geomechanical contribution was evaluated within a full system analysis of coupled hydrological and geochemical processes for Sleipner-like settings, and then analyzed as a function of hydrological processes, key reservoir properties, and CO{sub 2} influx parameters. The net effect of the geomechanical and geomechanical contributions on caprock integrity was then evaluated for both natural and engineered storage scenarios. Results of the study showed that CO{sub 2} influx-triggered geochemical and geomechanical processes act in opposition to enhance and degrade hydrodynamic seal capacity through aperture narrowing and widening of microfractures. The extent of geochemical enhancement was independent of the reservoir characteristics that distinguished saline-aquifer from enhanced oil recovery and CO{sub 2} sequestration settings. However, while the extent of geochemical alteration was nearly independent of the filling mode, geomechanical deformation processes were more pronounced in engineered storage scenarios. Results suggested that the secure caprocks of natural CO{sub 2} accumulation settings may be incapable of providing effective seals for engineered injection processes. The pressure increase associated with CO{sub 2} accumulation in any compartmentalized system resulted in the net geomechanical aperture widening of caprock microfractures. It was concluded that the

  10. High performance of treated and washed MSWI bottom ash granulates as natural aggregate replacement within earth-moist concrete.

    Science.gov (United States)

    Keulen, A; van Zomeren, A; Harpe, P; Aarnink, W; Simons, H A E; Brouwers, H J H

    2016-03-01

    Municipal solid waste incineration bottom ash was treated with specially designed dry and wet treatment processes, obtaining high quality bottom ash granulate fractions (BGF) suitable for up to 100% replacement of natural gravel in concrete. The wet treatment (using only water for separating and washing) significantly lowers the leaching of e.g. chloride and sulfate, heavy metals (antimony, molybdenum and copper) and dissolved organic carbon (DOC). Two potential bottom ash granulate fractions, both in compliance with the standard EN 12620 (aggregates for concrete), were added into earth-moist concrete mixtures. The fresh and hardened concrete physical performances (e.g. workability, strength and freeze-thaw) of high strength concrete mixtures were maintained or improved compared with the reference mixtures, even after replacing up to 100% of the initial natural gravel. Final element leaching of monolithic and crushed granular state BGF containing concretes, showed no differences with the gravel references. Leaching of all mixtures did not exceed the limit values set by the Dutch Soil Quality Degree. In addition, multiple-life-phase emission (pH static test) for the critical elements of input bottom ash, bottom ash granulate (BGF) and crushed BGF containing concrete were assessed. Simulation pH lowering or potential carbonation processes indicated that metal (antimony, barium, chrome and copper) and sulfate element leaching behavior are mainly pH dominated and controlled, although differ in mechanism and related mineral abundance. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Comparison between lighting performance of a virtual natural lighting solutions prototype and a real window based on computer simulation

    Directory of Open Access Journals (Sweden)

    R.A. Mangkuto

    2014-12-01

    Full Text Available This article discusses the measurement and simulation of a first generation prototype of Virtual Natural Lighting Solutions (VNLS, which are systems that can artificially provide natural lighting as well as a realistic outside view, with properties comparable to those of real windows and skylights. Examples of employing Radiance as a simulation tool to predict the lighting performance of such solutions are shown, for a particular case study of a VNLS prototype displaying variations of a simplified view of overcast, clear, and partly cloudy skies. Measurement and simulation were conducted to evaluate the illuminance distribution on workplane level. The key point of this study is to show that simulations can be used to compare an actual VNLS prototype with a hypothetical real window under the same sky scenes, which was physically not possible, since the test room was not located at the building׳s façade. It is found that the investigated prototype yields a less rapidly drop illuminance distribution and a larger average illuminance than the corresponding real window, under the overcast (52 lx compared to 28 lx and partly cloudy (102 lx compared to 80 lx sky scenes. Under the clear sky scene, the real window yields a larger average illuminance (97 lx compared to the prototype (71 lx, due to the influence of direct sunlight.

  12. Reaction Norms in Natural Conditions: How Does Metabolic Performance Respond to Weather Variations in a Small Endotherm Facing Cold Environments?

    Science.gov (United States)

    Petit, Magali; Vézina, François

    2014-01-01

    Reaction norms reflect an organisms' capacity to adjust its phenotype to the environment and allows for identifying trait values associated with physiological limits. However, reaction norms of physiological parameters are mostly unknown for endotherms living in natural conditions. Black-capped chickadees (Poecile atricapillus) increase their metabolic performance during winter acclimatization and are thus good model to measure reaction norms in the wild. We repeatedly measured basal (BMR) and summit (Msum) metabolism in chickadees to characterize, for the first time in a free-living endotherm, reaction norms of these parameters across the natural range of weather variation. BMR varied between individuals and was weakly and negatively related to minimal temperature. Msum varied with minimal temperature following a Z-shape curve, increasing linearly between 24°C and −10°C, and changed with absolute humidity following a U-shape relationship. These results suggest that thermal exchanges with the environment have minimal effects on maintenance costs, which may be individual-dependent, while thermogenic capacity is responding to body heat loss. Our results suggest also that BMR and Msum respond to different and likely independent constraints. PMID:25426860

  13. Assay of common sunscreen agents in suncare products by high-performance liquid chromatography on a cyanopropyl-bonded silica column.

    Science.gov (United States)

    Simeoni, Silvia; Tursilli, Rosanna; Bianchi, Anna; Scalia, Santo

    2005-06-15

    A rapid high-performance liquid chromatographic method was developed for the simultaneous assay of eight of the most common sunscreen agents (octyl-methoxycinnamate, oxybenzone, butyl-methoxydibenzoylmethane, octyl-salicilate, methylbenzylidene camphor, octyl-dimethylamminobenzoate, phenylbenzimidazole sulphonic acid and octocrylene) in sun protection products. Evaluation of the influence of different stationary phases and eluents on the separation selectivity showed that optimal resolution was obtained on a cyanopropyl-silica column eluted with methanol-acetonitrile-tetrahydrofuran-aqueous acetic acid. A small adjustment of the proposed chromatographic system (reduction in the aqueous content of the mobile phase) permitted also the determination of the extremely hydrophobic UV filter, methylene bis-benzotriazolyl tetramethylbutylphenol along with three other sunscreen agents, octyl-methoxycinnamate, oxybenzone, butyl-methoxydibenzoylmethane. Recoveries of the UV filters from the spiked formulation were between 95.7 and 103.7% and the precision of the method was better than 6.1% relative standard deviation. The developed HPLC procedure is suitable for quality control and photostability analyses of commercial suncare products.

  14. Response to fire, thermal insulation and acoustic performance of rigid polyurethane agglomerates with addition of natural fiber

    Directory of Open Access Journals (Sweden)

    Marcos Vinicius Rizzo

    2015-03-01

    Full Text Available This paper aims to reuse rigid polyurethane waste in the preparation of composites with the addition of banana fibers and cellulose in order to qualify the acoustic performance, thermal insulation and reaction to fire the material with the addition of 7% of polysulfone. Agglomerated with 100% of polyurethane and either with 20% of banana fiber or 20% of cellulose were characterized in the sound transmission loss, thermal conductivity and reaction to fire, take into account variations in the granulometry of the solid polyurethane and type of pressing. Natural fiber composites had lower thermal conductivity, higher acoustic insulation in medium frequencies and the addition of polysulfone delayed the total time of firing the material.

  15. The selection and performance of the natural zeolite clinoptilolite in British Nuclear Fuels' site ion exchange effluent plant, SIXEP

    International Nuclear Information System (INIS)

    Baxter, S.G.; Berghauser, D.C.

    1986-01-01

    SIXEP has been conducted by British Nuclear Fuels plc at its Sellafield reprocessing site as part of its committment to reduce radioactive discharges to the Irish Sea. An extensive development program identified the natural ion exchange mineral clinoptilolite, from a particular deposit in California now owned by Tenneco Specialty Minerals, as the most suitable for use in SIXEP to extract caesium and strontium from spent nuclear fuel storage pond water. Close cooperation with the supplier in a Quality Assurance scheme ensured the supply of a fully-characterised, high grade ion exchanger. Since SIXEP commenced treating pond water on 28 May 1985, the plant has performed well, exceeding the design expectation in terms of discharge reduction and availability

  16. An experimental study of the heat transfer performance of a rectangular two-phase natural circulation loop

    International Nuclear Information System (INIS)

    Chen, K.S.; Chen, Y.Y.; Tsai, S.T.

    1990-01-01

    An experimental study is presented for the heat transfer performance of a rectangular, two-phase, natural-circulation loop with water-steam as the working fluid. Local temperature measurements of the core fluid and the wall were made, and the overall heat transfer coefficients of the evaporator, the condenser, and the loop system were obtained and correlated in terms of the fluid properties, heat flux conditions, and the liquid charge level. An overheat phenomenon at very low charge level was also observed. Result of a preliminary analysis shows that if the liquid charge level is below the fractional volume of the connecting tube between the condenser and the evaporator, an overheat phenomenon will occur

  17. Clinical comparison of masticatory performance and electromyographic activity of patients with complete dentures, overdentures, and natural teeth.

    Science.gov (United States)

    Rissin, L; House, J E; Manly, R S; Kapur, K K

    1978-05-01

    In this study, which is the first of its kind, it has been shown that overdenture patients, when compared to complete denture patients, while chewing a test food for a constant number of strokes, expended an equivalent amount of muscle effort, chewed more slowly and efficiently, and evidenced significantly better masticatory performance by producing an increased volume of fine test food particles. These findings provide a sound justification for the extra effort required to retain some natural teeth to provide overdenture services to patients. The fact that patients can masticate food more efficiently with overdentures than with complete dentures justifies the increased cost and time involved in their construction. The longitudinal effects that overdentures have on the basic physiopathologic processed involved in the progression of ridge resorption and the advantages of maintaining periodontal proprioception also should be studied.

  18. Intramolecular Hydrogen Bonding and Conformational Preferences of Arzanol—An Antioxidant Acylphloroglucinol

    Directory of Open Access Journals (Sweden)

    Liliana Mammino

    2017-08-01

    Full Text Available Arzanol is a naturally-occurring prenylated acylphloroglucinol isolated from Helichrysum italicum and exhibiting anti-oxidant, antibiotic and antiviral activities. The molecule contains an α-pyrone moiety attached to the phloroglucinol moiety through a methylene bridge. The presence of several hydrogen bond donor or acceptor sites makes intramolecular hydrogen bonding patterns the dominant stabilising factor. Conformers with all the possible different hydrogen bonding patterns were calculated at the HF/6-31G(d,p and DFT/B3LYP/6-31+G(d,p levels with fully relaxed geometry in vacuo and in three solvents—chloroform, acetonitrile and water (these levels being chosen to enable comparisons with previous studies on acylphloroglucinols. Calculations in solution were performed with the Polarisable Continuum Model. The results show that the lowest energy conformers have the highest number of stronger intramolecular hydrogen bonds. The influence of intramolecular hydrogen bonding patterns on the other molecular properties is also analysed.

  19. Performance assessment model development and parameter acquisition for analysis of the transport of natural radionuclides in a Mediterranean watershed

    International Nuclear Information System (INIS)

    Agueero, Almudena

    2005-01-01

    This paper describes the methodology developed to construct a model for predicting the behaviour of the natural radioisotopes of U, Th and Ra in a Mediterranean watershed. The methodology includes the development of the performance assessment model, obtaining water flow and radiological parameters based on experimental data and analysis of results. The model, which accounts for both water flows and mass balances of the radionuclides in a semi-natural environment, provides assessments of radionuclide behaviour in grassland and agricultural soils, rivers and reservoirs, including the processes of radionuclide migration through land and water and interactions between both. From field and laboratory data, it has been possible to obtain parameters for the driving processes considered in the model, water fluxes, source term definition, soil to plant transfer factors and distribution coefficient values. Ranges of parameter values obtained have shown good agreement with published literature data. This general methodological approach was developed to be extended to other radionuclides for the modelling of a biosphere watershed in the context of performance assessment of a High Level Waste (HLW) repository under Mediterranean climate conditions, as well as for forecasting radionuclide transport under similar Mediterranean conditions that will occur in the future in other areas. The application of sensitivity and uncertainty analysis was intended to identify key uncertainties with the aim of setting priorities for future research. The model results for the activity concentration in the reservoir indicate that for 238 U and 230 Th the most relevant parameter is the initial concentrations of the radionuclides in the reservoir sediments. However, for 226 Ra the most important parameter is the precipitation rate over the whole watershed

  20. A unified model for energy and environmental performance assessment of natural gas-fueled poly-generation systems

    International Nuclear Information System (INIS)

    Chicco, Gianfranco; Mancarella, Pierluigi

    2008-01-01

    Poly-generation systems for combined production of manifold energy vectors such as electricity, heat at different enthalpy levels (for instance, in the form of hot water and steam), and cooling power from a unique source of primary energy (typically natural gas) are increasingly spreading, above all on a small-scale basis (below 1 MW e ), owing to their enhanced energy, environmental and economic characteristics. Availability of suitable tools for assessing the performance of such systems is therefore fundamental. In this paper, a unified general model is proposed for assessing the energy and CO 2 emission performance of any type of poly-generation system with natural gas as the energy input. In particular, the classical energy saving model for cogeneration systems is extended to include in the analysis further energy vectors by defining the novel PPES (Poly-generation Primary Energy Saving) indicator. In addition, equivalent efficiencies for CO 2 emission assessment are defined and used in the formulation of the new PCO2ER (Poly-generation CO 2 Emission Reduction) indicator, specifically introduced for environmental analysis. The formal analogy between the PPES and the PCO2ER indicators is highlighted. Numerical applications are provided to show the effectiveness of the proposed models and to quantify the typical benefits that poly-generation systems can bring. In particular, the new indicators are of relevant interest for both energy planners and policy makers, above all in the outlook of formulating financial incentive strategies, as it already occurs for cogeneration systems, or of participating to specific energy-related markets such as the ones for trading white certificates or emission allowances

  1. Computational insights into the photocyclization of diclofenac in solution: effects of halogen and hydrogen bonding.

    Science.gov (United States)

    Bani-Yaseen, Abdulilah Dawoud

    2016-08-21

    The effects of noncovalent interactions, namely halogen and hydrogen bonding, on the photochemical conversion of the photosensitizing drug diclofenac (DCF) in solution were investigated computationally. Both explicit and implicit solvent effects were qualitatively and quantitatively assessed employing the DFT/6-31+G(d) and SQM(PM7) levels of theory. Full geometry optimizations were performed in solution for the reactant DCF, hypothesized radical-based intermediates, and the main product at both levels of theories. Notably, in good agreement with previous experimental results concerning the intermolecular halogen bonding of DCF, the SQM(PM7) method revealed different values for d(ClO, Å) and ∠(C-ClO, °) for the two chlorine-substituents of DCF, with values of 2.63 Å/162° and 3.13 Å/142° for the trans and cis orientations, respectively. Employing the DFT/6-31+G(d) method with implicit solvent effects was not conclusive; however, explicit solvent effects confirmed the key contribution of hydrogen and halogen bonding in stabilizing/destabilizing the reactant and hypothesized intermediates. Interestingly, the obtained results revealed that a protic solvent such as water can increase the rate of photocyclization of DCF not only through hydrogen bonding effects, but also through halogen bonding. Furthermore, the atomic charges of atoms majorly involved in the photocyclization of DCF were calculated using different methods, namely Mulliken, Hirshfeld, and natural bond orbital (NBO). The obtained results revealed that in all cases there is a notable nonequivalency in the noncovalent intermolecular interactions of the two chlorine substituents of DCF and the radical intermediates with the solvent, which in turn may account for the discrepancy of their reactivity in different media. These computational results provide insight into the importance of halogen and hydrogen bonding throughout the progression of the photochemical conversion of DCF in solution.

  2. Integration of European Bond Markets

    DEFF Research Database (Denmark)

    Christiansen, Charlotte

    2014-01-01

    I investigate the time variation in the integration of EU government bond markets. The integration is measured by the explanatory power of European factor portfolios for the individual bond markets for each year. The integration of the government bond markets is stronger for EMU than non-EMU memb......I investigate the time variation in the integration of EU government bond markets. The integration is measured by the explanatory power of European factor portfolios for the individual bond markets for each year. The integration of the government bond markets is stronger for EMU than non...

  3. Amino Acid Patterns around Disulfide Bonds

    Directory of Open Access Journals (Sweden)

    Brett Drury

    2010-11-01

    Full Text Available Disulfide bonds provide an inexhaustible source of information on molecular evolution and biological specificity. In this work, we described the amino acid composition around disulfide bonds in a set of disulfide-rich proteins using appropriate descriptors, based on ANOVA (for all twenty natural amino acids or classes of amino acids clustered according to their chemical similarities and Scheffé (for the disulfide-rich proteins superfamilies statistics. We found that weakly hydrophilic and aromatic amino acids are quite abundant in the regions around disulfide bonds, contrary to aliphatic and hydrophobic amino acids. The density distributions (as a function of the distance to the center of the disulfide bonds for all defined entities presented an overall unimodal behavior: the densities are null at short distances, have maxima at intermediate distances and decrease for long distances. In the end, the amino acid environment around the disulfide bonds was found to be different for different superfamilies, allowing the clustering of proteins in a biologically relevant way, suggesting that this type of chemical information might be used as a tool to assess the relationship between very divergent sets of disulfide-rich proteins.

  4. The impact of natural gas/hydrogen mixtures on the performance of end-use equipment : Interchangeability analysis for domestic appliances

    NARCIS (Netherlands)

    de Vries, Harmen; Mokhov, Anatoli V.; Levinsky, Howard B.

    2017-01-01

    The addition of hydrogen derived from renewable power to the natural gas network is being promoted as a viable means of storing excess wind and solar energy. However, the changes in combustion properties of the natural gas upon hydrogen addition can impact the performance of the end-use equipment

  5. The Potential Application of Qualitative Evaluation Methods in European Regional Development : Reflections on the Use of Performance Story Reporting in Australian Natural Resource Management

    NARCIS (Netherlands)

    Vanclay, Frank

    2015-01-01

    Vanclay F. The potential application of qualitative evaluation methods in European regional development: reflections on the use of Performance Story Reporting in Australian natural resource management, Regional Studies. This paper argues that qualitative evaluation methods potentially have a useful

  6. Convertible bond valuation focusing on Chinese convertible bond market

    OpenAIRE

    Yang, Ke

    2010-01-01

    This paper mainly discusses the methods of valuation of convertible bonds in Chinese market. Different from common convertible bonds in European market, considering the complicate features of Chinese convertible bond, this paper represents specific pricing approaches for pricing convertible bonds with different provisions along with the increment of complexity of these provisions. More specifically, this paper represents the decomposing method and binomial tree method for pricing both of Non-...

  7. Effects of density functionals and dispersion interactions on geometries, bond energies and harmonic frequencies of Etbnd UX3 (E = N, P, CH; X = H, F, Cl)

    Science.gov (United States)

    Pandey, Krishna Kumar; Patidar, Pankaj; Patidar, Sunil Kumar; Vishwakarma, Ravi

    2014-12-01

    Quantum-chemical calculations have been performed to evaluate the geometries, bonding nature and harmonic frequencies of the compounds [Etbnd UX3] at DFT, DFT-D3, DFT-D3(BJ) and DFT-dDSc levels using different density functionals BP86, BLYP, PBE, revPBE, PW91, TPSS and M06-L. The stretching frequency of Utbnd N bond in [Ntbnd UF3] calculated with DFT/BLYP closely resembles with the experimental value. The performance of different density functionals for accurate Utbnd N vibrational frequencies follows the order BLYP > revPBE > BP86 > PW91 > TPSS > PBE > M06-L. The BLYP functional gives accurate value of the Utbnd E bond distances. The uranium atom in the studied compounds [Etbnd UX3] is positively charged. Upon going from [Etbnd UF3] to [Etbnd UCl3], the partial Hirshfeld charge on uranium atom decreases because of the lower electronegativity of chlorine compared to flourine. The Gopinathan-Jug bond order for Utbnd E bonds ranges from 2.90 to 3.29. The Utbnd E bond dissociation energies vary with different density functionals as M06-L < TPSS < BLYP < revPBE < BP86 < PBE ≈ PW91. The orbital interactions ΔEorb, in all studied compounds [Etbnd UX3] are larger than the electrostatic interaction ΔEelstat, which means the Utbnd N bonds in these compound have greater degree of covalent character (in the range 63.8-77.2%). The Usbnd E σ-bonding interaction is the dominant bonding interaction in the nitride and methylidyne complexes while it is weaker in [Ptbnd UX3]. The dispersion energy contributions to the total bond dissociation energies are rather small. Compared to the Grimme's D3(BJ) corrections, the Corminboeuf's dispersion corrections are larger with metaGGA functionals (TPSS, M06-L) while smaller with GGA functionals.

  8. Performance analysis of CRF-based learning for processing WoT application requests expressed in natural language.

    Science.gov (United States)

    Yoon, Young

    2016-01-01

    In this paper, we investigate the effectiveness of a CRF-based learning method for identifying necessary Web of Things (WoT) application components that would satisfy the users' requests issued in natural language. For instance, a user request such as "archive all sports breaking news" can be satisfied by composing a WoT application that consists of ESPN breaking news service and Dropbox as a storage service. We built an engine that can identify the necessary application components by recognizing a main act (MA) or named entities (NEs) from a given request. We trained this engine with the descriptions of WoT applications (called recipes) that were collected from IFTTT WoT platform. IFTTT hosts over 300 WoT entities that offer thousands of functions referred to as triggers and actions. There are more than 270,000 publicly-available recipes composed with those functions by real users. Therefore, the set of these recipes is well-qualified for the training of our MA and NE recognition engine. We share our unique experience of generating the training and test set from these recipe descriptions and assess the performance of the CRF-based language method. Based on the performance evaluation, we introduce further research directions.

  9. Performance evaluation of a natural-convection solar air-heater with a rectangular-finned absorber plate

    International Nuclear Information System (INIS)

    Fakoor Pakdaman, M.; Lashkari, A.; Basirat Tabrizi, H.; Hosseini, R.

    2011-01-01

    This paper deals with an experimental investigation to evaluate different thermal characteristics of a natural-convection flat-plate solar air-heater with longitudinal rectangular fins array. Having determined the thermal performance of the system a Nusselt number correlation is presented for such finned duct devices. In the presented empirical model which may have industrial applications, solar radiation and ambient temperature have been considered as independent parameters. Other characteristics of the system such as different dimensionless variables, plates and outflow temperatures, efficiency, and mass flow rate have been empirically modeled based on these variables. The particular difference in this study in comparison with the other similar studies is the presentation of an empirical model for rectangular-finned solar air-heaters. This model proposes design concepts and rules of thumb, and demonstrates the calculations of the design parameters. Based on the order of magnitude analysis, solar radiation has been found to be the main parameter which characterizes the thermal behavior of the system. Besides, exergy analysis has been carried out, and optimum conditions in which the system has the highest performance have been determined.

  10. Effects of feeding blends of grains naturally contaminated with Fusarium mycotoxins on performance and metabolism of laying hens.

    Science.gov (United States)

    Chowdhury, S R; Smith, T K

    2004-11-01

    An experiment was conducted to evaluate the effects of feeding laying hens grains naturally contaminated with a combination of Fusarium mycotoxins. Parameters measured included performance, organ weights, and plasma chemistry. One hundred and forty-four, 45-wk-old laying hens were fed diets including: (1) control, (2) contaminated grains, and (3) contaminated grains + 0.2% polymeric glucomannan mycotoxin adsorbent (GMA) for a 12-wk period. The feeding of contaminated grains decreased feed consumption compared with controls in the first 4 wk. Feed consumption increased, however, from 4 to 8 wk and from 8 to 12 wk. The efficiency of feed utilization (feed consumption/egg mass) decreased compared with controls in the periods from 4 to 8 and from 8 to 12 wk when birds were fed contaminated grains. Supplementation with GMA decreased feed consumption and increased the efficiency of feed utilization in the period from 8 to 12 wk. Egg production and egg mass decreased in wk 4 and 8 compared with controls when contaminated grains were fed, whereas egg and eggshell weights decreased in the fourth wk. Plasma uric acid concentrations increased throughout the experiment and relative kidney weights increased at the end of the experiment compared with controls when birds were fed contaminated grains. The feeding of GMA prevented the elevation in uric acid concentrations and relative kidney weights. It was concluded that layer performance and metabolism were adversely affected by chronic feeding of a combination of Fusarium mycotoxins, and that GMA prevented many of these effects.

  11. Electrochemical performance of La-doped Sr{sub 2}MgMoO{sub 6-{delta}} in natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Yuan [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); College of Physics, Jilin University, 2519 Jiefang Road, Changchun 130023, Jilin Province (China); Huang, Yun-Hui; Goodenough, John B. [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Ying, Jie-Rong [Texas Materials Institute, ETC 9.102, The University of Texas at Austin, Austin, TX 78712 (United States); Institute of Nuclear and New Energy Technology, Tsinghua University, P.O. Box 1021, Beijing 102201 (China)

    2007-08-15

    Modification of the double perovskite Sr{sub 2}MgMoO{sub 6-{delta}} by La substitution has shown that Sr{sub 2-x}La{sub x}MgMoO{sub 6-{delta}} with 0.6 {<=} x {<=} 0.8 has better performance as the anode of a solid oxide fuel cell. With a Sr{sub 1.2}La{sub 0.8}MgMoO{sub 6-{delta}} anode, LSGM electrolyte, SrCo{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}} cathode, and a La{sub 0.5}Ce{sub 0.4}O{sub 1.7-{delta}} buffer layer between the anode and the electrolyte, a maximum power density of 550 mW/cm{sup 2} has been obtained for a SOFC operating on wet methane (3%H{sub 2}O) at 800 C. The performance of the SOFC using C{sub 2}H{sub 6} fuel, like that of CH{sub 4}, changes little on switching from dry C{sub 2}H{sub 6} to 3% H{sub 2}O/C{sub 2}H{sub 6}, but improvement with wet C{sub 3}H{sub 8} shows that some steam will need to be added to a moderately desulfurized natural-gas fuel. (author)

  12. Longevity of Self-etch Dentin Bonding Adhesives Compared to Etch-and-rinse Dentin Bonding Adhesives: A Systematic Review.

    Science.gov (United States)

    Masarwa, Nader; Mohamed, Ahmed; Abou-Rabii, Iyad; Abu Zaghlan, Rawan; Steier, Liviu

    2016-06-01

    A systematic review and meta-analysis were performed to compare longevity of Self-Etch Dentin Bonding Adhesives to Etch-and-Rinse Dentin Bonding Adhesives. The following databases were searched for PubMed, MEDLINE, Web of Science, CINAHL, the Cochrane Library complemented by a manual search of the Journal of Adhesive Dentistry. The MESH keywords used were: "etch and rinse," "total etch," "self-etch," "dentin bonding agent," "bond durability," and "bond degradation." Included were in-vitro experimental studies performed on human dental tissues of sound tooth structure origin. The examined Self-Etch Bonds were of two subtypes; Two Steps and One Step Self-Etch Bonds, while Etch-and-Rinse Bonds were of two subtypes; Two Steps and Three Steps. The included studies measured micro tensile bond strength (μTBs) to evaluate bond strength and possible longevity of both types of dental adhesives at different times. The selected studies depended on water storage as the aging technique. Statistical analysis was performed for outcome measurements compared at 24 h, 3 months, 6 months and 12 months of water storage. After 24 hours (p-value = 0.051), 3 months (p-value = 0.756), 6 months (p-value=0.267), 12 months (p-value=0.785) of water storage self-etch adhesives showed lower μTBs when compared to the etch-and-rinse adhesives, but the comparisons were statistically insignificant. In this study, longevity of Dentin Bonds was related to the measured μTBs. Although Etch-and-Rinse bonds showed higher values at all times, the meta-analysis found no difference in longevity of the two types of bonds at the examined aging times. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Development of HIP bonding procedure and mechanical properties of HIP bonded joints for reduced activation ferritic steel F-82H

    International Nuclear Information System (INIS)

    Oda, Masahiro; Kurasawa, Toshimasa; Kuroda, Toshimasa; Hatano, Toshihisa; Takatsu, Hideyuki

    1997-03-01

    Structural materials of blanket components in fusion DEMO reactors will receive a neutron wall load more than 3-5MW/m 2 as well as exposed by surface heat flux more than 0.5MW/m 2 . A reduced activation ferritic steel F-82H has been developed by JAERI in collaboration with NKK from viewpoints of resistance for high temperature and neutron loads and lower radioactivity. This study intends to obtain basic performance of F-82H to establish the fabrication procedure of the first wall and blanket box by using Hot Isostatic Pressing (HIP) bonding. Before HIP bonding tests, effects of heat treatment temperature and surface roughness on mechanical properties of joints were investigated in the heat treatment tests and diffusion bonding tests, respectively. From these results, the optimum HIP bonding conditions and the post heat treatment were selected. Using these conditions, the HIP bonding tests were carried out to evaluate HIP bondability and to obtain mechanical properties of the joints. Sufficient HIP bonding performance was obtained under the temperature of 1040degC, the compressive stress of 150MPa, the holding time of 2h, and the surface roughness ∼μ m. Mechanical properties of HIP bonded joints with these conditions were similar to those of as-received base metal. An oxide formation on the surface to be bonded would need to be avoided for sufficient bonding. The bonding ratio, Charpy impact value and fatigue performance of the joints strongly depended on the HIP conditions, especially temperature, while micro-structure, Vickers hardness and tensile properties had little dependence on the HIP temperature. The surface roughness strongly affected the bonding ratio and would be required to be in the level of a few μ m. In the HIP bonding test of the welded material, the once-melted surface could be jointed by the HIP bonding under the above-mentioned procedure. (J.P.N.)

  14. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP in the second group, TBXT composite was bonded with the conventional method of acid etching and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  15. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP; in the second group, TBXT composite was bonded with the conventional method of acid etching; and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  16. 75 FR 6791 - Surety Companies Acceptable on Federal Bonds-Termination: Trinity Universal Insurance Company

    Science.gov (United States)

    2010-02-10

    .... However, no new bonds should be accepted from this company, and bonds that are continuous in nature should... DEPARTMENT OF THE TREASURY Fiscal Service Surety Companies Acceptable on Federal Bonds--Termination: Trinity Universal Insurance Company AGENCY: Financial Management Service, Fiscal Service...

  17. Facilitation of Nanoscale Thermal Transport by Hydrogen Bonds

    OpenAIRE

    Zhang, Lin

    2017-01-01

    Thermal transport performance at the nanoscale and/or of biomaterials is essential to the success of many new technologies including nanoelectronics, biomedical devices, and various nanocomposites. Due to complicated microstructures and chemical bonding, thermal transport process in these materials has not been well understood yet. In terms of chemical bonding, it is well known that the strength of atomic bonding can significantly affect thermal transport across materials or across interfaces...

  18. Strong and weak hydrogen bonds in drug–DNA complexes

    Indian Academy of Sciences (India)

    The dataset was extracted from the protein data bank (PDB). The analysis was performed with an in-house software, hydrogen bond analysis tool (HBAT). In addition to strong hydrogen bonds such as O−H···O and N−H···O, the ubiquitous presence of weak hydrogen bonds such as C−H···O is implicated in molecular ...

  19. Dangling bonds and crystalline inclusions in amorphous materials

    Energy Technology Data Exchange (ETDEWEB)

    Ferrari, L [Ferrara Univ. (Italy). Ist. di Matematica; Russo, G [Bologna Univ. (Italy). Ist. di Fisica

    1981-02-07

    It is suggested that on the surface of crystalline inclusions dangling bond formation is favoured due to unbalanced local stresses. The energy for bond tearings is probably originated from the exothermic process leading to the crystalline inclusion configuration which is more stable than the original amorphous one. A thermodynamical calculation is performed giving the ratio nsub(k) of crystalline inclusions having k dangling bonds on their surface.

  20. Contingent Conversion Convertible Bond: New avenue to raise bank capital

    OpenAIRE

    DI GIROLAMO FRANCESCA; CAMPOLONGO FRANCESCA; DE SPIEGELEER JAN; SCHOUTENS WIM

    2016-01-01

    This paper provides an in-depth analysis of the structuring and the pricing of an innovative financial market product. This instrument is called a contingent conversion convertible bond or "CoCoCo". This hybrid bond is itself a combination of two other hybrid instruments: a contingent convertible ("CoCo") and a convertible bond. This combination introduces more complexity in the structure but it also allows investors to profit from strong share price performances. This upside potential is add...