WorldWideScience

Sample records for bond lengths based

  1. Pi Bond Orders and Bond Lengths

    Science.gov (United States)

    Herndon, William C.; Parkanyi, Cyril

    1976-01-01

    Discusses three methods of correlating bond orders and bond lengths in unsaturated hydrocarbons: the Pauling theory, the Huckel molecular orbital technique, and self-consistent-field techniques. (MLH)

  2. Effect of bond length and radius on superconducting transition temperature for FeAs-based superconductors

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    By comparing the data of lattice parameters of more than 50 new FeAs-based high temperature superconductors in two syetems, the effect of bondlength on superconducting transition temperature (T C ) was found that, for both FeAs superconductor systems with similar ionic radii of cation A, the bond length L As-A between Arsenic atom and its nearest neighbor cation at the A site is in an inverse proportion to T C , i.e. the larger the bond length L As-A , the lower the T C . In addition, we also found a noticeable effect of ionic radius on T C , in which deviation from the tendency line of bond length vs. T C decreases with the increasing ionic radius. Both bond length-T C and ionic radii-T C relations indicate that the interaction of cation A and As ion have significant effect on superconductivity. The analysis on the electronic structure indicates that there exists the proximity of the secondary-outer p-orbit of the cation A and the 4s orbit of the As ion, both in energy space and in real space. Some high frequency individual vibrating modes would be established through exchange coupling on their inner orbits. It is worth of mention that the superconducting condensation is influenced by the interaction between the cation A and the As atoms.

  3. Atomic Structures of Riboflavin (Vitamin B2) and its Reduced Form with Bond Lengths Based on Additivity of Atomic Radii

    CERN Document Server

    Heyrovska, Raji

    2008-01-01

    It has been shown recently that chemical bond lengths, in general, like those in the components of nucleic acids, caffeine related compounds, all essential amino acids, methane, benzene, graphene and fullerene are sums of the radii of adjacent atoms constituting the bond. Earlier, the crystal ionic distances in all alkali halides and lengths of many partially ionic bonds were also accounted for by the additivity of ionic as well as covalent radii. Here, the atomic structures of riboflavin and its reduced form are presented based on the additivity of the same set of atomic radii as for other biological molecules.

  4. Atomic Structures of the Molecular Components in DNA and RNA based on Bond Lengths as Sums of Atomic Radii

    OpenAIRE

    Heyrovska, Raji

    2007-01-01

    The interpretation by the author in recent years of bond lengths as sums of the relevant atomic or ionic radii has been extended here to the bonds in the skeletal structures of adenine, guanine, thymine, cytosine, uracil, ribose, deoxyribose and phosphoric acid. On examining the bond length data in the literature, it has been found that the averages of the bond lengths are close to the sums of the corresponding atomic covalent radii of carbon, nitrogen, oxygen, hydrogen and phosphorus. Thus, ...

  5. Atomic Structures of the Molecular Components in DNA and RNA based on Bond Lengths as Sums of Atomic Radii

    CERN Document Server

    Heyrovska, Raji

    2007-01-01

    The interpretation by the author in recent years of bond lengths as sums of the relevant atomic or ionic radii has been extended here to the bonds in the skeletal structures of adenine, guanine, thymine, cytosine, uracil, ribose, deoxyribose and phosphoric acid. On examining the bond length data in the literature, it has been found that the averages of the bond lengths are close to the sums of the corresponding atomic covalent radii of carbon, nitrogen, oxygen, hydrogen and phosphorus. Thus, the conventional molecular structures have been resolved here, for the first time, into probable atomic structures.

  6. Atomic Structures of Riboflavin (Vitamin B2) and its Reduced Form with Bond Lengths Based on Additivity of Atomic Radii

    OpenAIRE

    Heyrovska, Raji

    2008-01-01

    It has been shown recently that chemical bond lengths, in general, like those in the components of nucleic acids, caffeine related compounds, all essential amino acids, methane, benzene, graphene and fullerene are sums of the radii of adjacent atoms constituting the bond. Earlier, the crystal ionic distances in all alkali halides and lengths of many partially ionic bonds were also accounted for by the additivity of ionic as well as covalent radii. Here, the atomic structures of riboflavin and...

  7. A fluorescent sensor for Zn(2+) and NO2(-) based on the rational control of C[double bond, length as m-dash]N isomerization.

    Science.gov (United States)

    Liu, Zheng; Peng, Cuina; Wang, Ying; Pei, Meishan; Zhang, Guangyou

    2016-05-01

    A new strategy for the ultrasensitive sensing of cations and anions based on the control of C[double bond, length as m-dash]N isomerization has been developed. Imine-derived ligand is non-fluorescent due to the C[double bond, length as m-dash]N isomerization process, whereas its ternary complex with ZnCl2 is moderately fluorescent because of the partial inhibition of C[double bond, length as m-dash]N isomerization. Such a ternary complex can give a remarkable fluorescence increase when it interacts with nitrite because of the much more efficient suppression of C[double bond, length as m-dash]N isomerization. This modulation process of C[double bond, length as m-dash]N isomerization can thus be used for the highly selective detection of Zn(2+) and NO2(-) in an aqueous solution. PMID:27075971

  8. Quantum graphs with time dependent bond lengths

    International Nuclear Information System (INIS)

    Usually a graph is considered to be built up by vertices connected by bonds with fixed lengths. In experimental realizations of graphs, for example by optical fiber networks, the bonds usually slightly change their lengths randomly caused e.g. by thermal fluctuations. We study perturbatively the effect of these fluctuations on the properties of graphs and discuss the experimental relevance.

  9. Reliable vibrational wavenumbers for C[double bond, length as m-dash]O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases.

    Science.gov (United States)

    Fornaro, Teresa; Biczysko, Malgorzata; Bloino, Julien; Barone, Vincenzo

    2016-03-16

    The accurate prediction of vibrational wavenumbers for functional groups involved in hydrogen-bonded bridges remains an important challenge for computational spectroscopy. For the specific case of the C[double bond, length as m-dash]O and N-H stretching modes of nucleobases and their oligomers, the paucity of experimental reference values needs to be compensated by reliable computational data, which require the use of approaches going beyond the standard harmonic oscillator model. Test computations performed for model systems (formamide, acetamide and their cyclic homodimers) in the framework of the second order vibrational perturbation theory (VPT2) confirmed that anharmonic corrections can be safely computed by global hybrid (GHF) or double hybrid (DHF) functionals, whereas the harmonic part is particularly challenging. As a matter of fact, GHFs perform quite poorly and even DHFs, while fully satisfactory for C[double bond, length as m-dash]O stretchings, face unexpected difficulties when dealing with N-H stretchings. On these grounds, a linear regression for N-H stretchings has been obtained and validated for the heterodimers formed by 4-aminopyrimidine with 6-methyl-4-pyrimidinone (4APM-M4PMN) and by uracil with water. In view of the good performance of this computational model, we have built a training set of B2PLYP-D3/maug-cc-pVTZ harmonic wavenumbers (including linear regression scaling for N-H) for six-different uracil dimers and a validation set including 4APM-M4PMN, one of the most stable hydrogen-bonded adenine homodimers, as well as the adenine-uracil, adenine-thymine, guanine-cytosine and adenine-4-thiouracil heterodimers. Because of the unfavourable scaling of DHF harmonic wavenumbers with the dimensions of the investigated systems, we have optimized a linear regression of B3LYP-D3/N07D harmonic wavenumbers for the training set, which has been next checked against the validation set. This relatively cheap model, which shows very good agreement with

  10. Influence of substituents on bond lengths

    OpenAIRE

    Hayd, Helmut; Savin, Andreas; Stoll, Hermann; Preuss, Heinzwerner; Becker, Gerd

    1988-01-01

    Pseudopotential SCF calculations for Y3C-X, Y=H, F; X=H, F, Cl, PH2, PF2 and a simple model, simulating the substituents by a homogeneous, electric field, are presented in order to rationalize the substitution effect on the C-X bond.

  11. V-V Bond-Length Fluctuations in Vox

    OpenAIRE

    Goodenough, J. B.; Rivadulla, F.; E. Winkler; Zhou, J. -S.

    2002-01-01

    We report a significantly stronger suppression of the phonon contribution to the thermal conductivity in VOx than can be accounted for by disorder of the 16 % atomic vacancies present in VO. Since the transition from localized to itinerant electronic behavior is first-order and has been shown to be characterized by bond-length fluctuations in several transition-metal oxides with the perovskite structure, we propose that cooperative V-V bond-length fluctuations play a role in VO similar to the...

  12. Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.

    Science.gov (United States)

    Gagné, Olivier Charles; Hawthorne, Frank Christopher

    2016-08-01

    Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that originates from the variation in Born repulsion and Coulomb attraction as a function of interatomic distance. The skewness and kurtosis of these distributions generally decrease with increasing coordination number of the central cation, a result of decreasing Born repulsion with increasing coordination number. We confirm the following minimum coordination numbers: ([3])Li(+), ([3])Na(+), ([4])K(+), ([4])Rb(+), ([6])Cs(+), ([3])Be(2+), ([4])Mg(2+), ([6])Ca(2+), ([6])Sr(2+) and ([6])Ba(2+), but note that some reported examples are the result of extensive dynamic and/or positional short-range disorder and are not ordered arrangements. Some distributions of bond lengths are distinctly multi-modal. This is commonly due to the occurrence of large numbers of structure refinements of a particular structure type in which a particular cation is always present, leading to an over-representation of a specific range of bond lengths. Outliers in the distributions of mean bond lengths are often associated with anomalous values of atomic displacement of the constituent cations and/or anions. For a sample of ([6])Na(+), the ratio Ueq(Na)/Ueq(bonded anions) is partially correlated with 〈([6])Na(+)-O(2-)〉 (R(2) = 0.57), suggesting that the mean bond length is correlated with vibrational/displacement characteristics of the constituent ions for a fixed coordination number. Mean bond lengths also show a weak correlation with bond-length distortion from the mean value in general, although some coordination numbers show the widest variation in mean bond length for zero distortion, e.g. Li(+) in

  13. Bond Length Dependence on Quantum States as Shown by Spectroscopy

    Science.gov (United States)

    Lim, Kieran F.

    2005-01-01

    A discussion on how a spreadsheet simulation of linear-molecular spectra could be used to explore the dependence of rotational band spacing and contours on average bond lengths in the initial and final quantum states is presented. The simulation of hydrogen chloride IR, iodine UV-vis, and nitrogen UV-vis spectra clearly show whether the average…

  14. Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds

    OpenAIRE

    La Macchia, Giovanni; Aquilante, Francesco; Veryazov, Valera; Roos, Bjorn O.; Gagliardi, Laura

    2008-01-01

    Multiconfigurational quantum chemical calculations on the R-diimines dichromium compound confirm that the Cr-Cr bond, 1.80 A, is among the shortest Cr (I)-Cr (I) bonds. However, the bond between the two Cr atoms is only a quadruple bond rather than a quintuple bond. The reason why the bond is so short has to be attributed to the strain in the NCCN ligand moieties.

  15. Bond lengths and bond strengths in compounds of the 5f elements

    International Nuclear Information System (INIS)

    The variation of bond length (D) with bond strength (S) in normal valence compounds of 3d, 4d, 5d-4f, and 6d-5f elements can be represented approximately as D(S)=D(0.5) F(S), where D(0.5) is a characteristic constant for a given bond and F(S) an empirical function which is the same for all bonds. A bond strength Ssub(ij)=Ssub(ji) is assigned to the bond between atoms i and j such that Σsub(j)Ssub(ij)=Vsub(i) and Σsub(i)Ssub(ij)=Vsub(j), where Vsub(i) and Vsub(j) are the normal valences of the two atoms. The function F(S) decreases monotonically with increasing S, and is normalized to unity at S=0.5, so that the constant D(0.5) has the physical meaning of being the bond length adjusted to S=0.5. In this paper, this method of interpretation is used to interpret and systematize the experimental results on bond lengths in oxides, halides and oxy-halides of the 5f elements. (Auth.)

  16. The Influences of Overlap Length, Bond Line Thickness and Pretreatmant on the Mechanical Properties of Adhesives: Focussing on Bonding Glass

    OpenAIRE

    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 length of the epoxy adhesive results in the highest maximum bond stress. However, there is nosignificant difference in maximum bond stresses due to different overlap lengths of the MS polymer. When...

  17. The extended variant of the bond valence-bond length correlation curve for boron(III)-oxygen bonds

    International Nuclear Information System (INIS)

    The extended variant of the bond valence (s)-bond length (r) correlation curve for boron(III)-oxygen bonds has been closely approximated using the three-parameter function s = [k/(r - l)] - m, where s is measured in valence units (vu), r is measured in Aa, k = 0.53 Aa.vu, l = 0.975(1) Aa and m = 0.32 vu. The function s = exp[(r0 - r)/b] traditionally used in the modern bond valence model requires the separate set of the bond valence parameters (r0 = 1.362 Aa; b = 0.23 Aa) in order to approximate the above s-r curve for the bonds shorter than ∝1.3 Aa.

  18. The extended variant of the bond valence-bond length correlation curve for boron(III)-oxygen bonds

    Energy Technology Data Exchange (ETDEWEB)

    Sidey, Vasyl [Uzhgorod National Univ. (Ukraine). Dept. of Chemistry and Research Institute for Physics and Chemistry of Solids

    2015-07-01

    The extended variant of the bond valence (s)-bond length (r) correlation curve for boron(III)-oxygen bonds has been closely approximated using the three-parameter function s = [k/(r - l)] - m, where s is measured in valence units (vu), r is measured in Aa, k = 0.53 Aa.vu, l = 0.975(1) Aa and m = 0.32 vu. The function s = exp[(r{sub 0} - r)/b] traditionally used in the modern bond valence model requires the separate set of the bond valence parameters (r{sub 0} = 1.362 Aa; b = 0.23 Aa) in order to approximate the above s-r curve for the bonds shorter than ∝1.3 Aa.

  19. Anharmonic Potential Constants and Their Dependence Upon Bond Length

    Science.gov (United States)

    Herschbach, D. R.; Laurie, V. W.

    1961-01-01

    Empirical study of cubic and quartic vibrational force constants for diatomic molecules shows them to be approximately exponential functions of internuclear distance. A family of curves is obtained, determined by the location of the bonded atoms in rows of the periodic table. Displacements between successive curves correspond closely to those in Badger's rule for quadratic force constants (for which the parameters are redetermined to accord with all data now available). Constants for excited electronic and ionic states appear on practically the same curves as those for the ground states. Predictions based on the diatomic correlations agree with the available cubic constants for bond stretching in polyatomic molecules, regardless of the type of bonding involved. Implications of these regularities are discussed. (auth)

  20. Bond-length fluctuations in the copper oxide superconductors

    CERN Document Server

    Goodenough, J B

    2003-01-01

    Superconductivity in the copper oxides occurs at a crossover from localized to itinerant electronic behaviour, a transition that is first order. A spinodal phase segregation is normally accomplished by atomic diffusion; but where it occurs at too low a temperature for atomic diffusion, it may be realized by cooperative atomic displacements. Locally cooperative, fluctuating atomic displacements may stabilize a distinguishable phase lying between a localized-electron phase and a Fermi-liquid phase; this intermediate phase exhibits quantum-critical-point behaviour with strong electron-lattice interactions making charge transport vibronic. Ordering of the bond-length fluctuations at lower temperatures would normally stabilize a charge-density wave (CDW), which suppresses superconductivity. It is argued that in the copper oxide superconductors, crossover occurs at an optimal doping concentration for the formation of ordered two-electron/two-hole bosonic bags of spin S = 0 in a matrix of localized spins; the correl...

  1. Isotopic fractionation in proteins as a measure of hydrogen bond length

    Science.gov (United States)

    McKenzie, Ross H.; Athokpam, Bijyalaxmi; Ramesh, Sai G.

    2015-07-01

    If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent, it may preferentially exchange deuterium for hydrogen. This preference is due to the difference between the vibrational zero-point energy for hydrogen and deuterium. It is found that the associated fractionation factor Φ is correlated with the strength of the intramolecular hydrogen bonds. This correlation has been used to determine the length of the H-bonds (donor-acceptor separation) in a diverse range of enzymes and has been argued to support the existence of short low-barrier H-bonds. Starting with a potential energy surface based on a simple diabatic state model for H-bonds, we calculate Φ as a function of the proton donor-acceptor distance R. For numerical results, we use a parameterization of the model for symmetric O-H⋯O bonds [R. H. McKenzie, Chem. Phys. Lett. 535, 196 (2012)]. We consider the relative contributions of the O-H stretch vibration, O-H bend vibrations (both in plane and out of plane), tunneling splitting effects at finite temperature, and the secondary geometric isotope effect. We compare our total Φ as a function of R with NMR experimental results for enzymes, and in particular with an earlier model parametrization Φ(R), used previously to determine bond lengths.

  2. Isotopic fractionation in proteins as a measure of hydrogen bond length

    International Nuclear Information System (INIS)

    If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent, it may preferentially exchange deuterium for hydrogen. This preference is due to the difference between the vibrational zero-point energy for hydrogen and deuterium. It is found that the associated fractionation factor Φ is correlated with the strength of the intramolecular hydrogen bonds. This correlation has been used to determine the length of the H-bonds (donor-acceptor separation) in a diverse range of enzymes and has been argued to support the existence of short low-barrier H-bonds. Starting with a potential energy surface based on a simple diabatic state model for H-bonds, we calculate Φ as a function of the proton donor-acceptor distance R. For numerical results, we use a parameterization of the model for symmetric O–H⋯O bonds [R. H. McKenzie, Chem. Phys. Lett. 535, 196 (2012)]. We consider the relative contributions of the O–H stretch vibration, O–H bend vibrations (both in plane and out of plane), tunneling splitting effects at finite temperature, and the secondary geometric isotope effect. We compare our total Φ as a function of R with NMR experimental results for enzymes, and in particular with an earlier model parametrization Φ(R), used previously to determine bond lengths

  3. Isotopic fractionation in proteins as a measure of hydrogen bond length

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, Ross H., E-mail: r.mckenzie@uq.edu.au [School of Mathematics and Physics, University of Queensland, Brisbane 4072 (Australia); Athokpam, Bijyalaxmi; Ramesh, Sai G. [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012 (India)

    2015-07-28

    If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent, it may preferentially exchange deuterium for hydrogen. This preference is due to the difference between the vibrational zero-point energy for hydrogen and deuterium. It is found that the associated fractionation factor Φ is correlated with the strength of the intramolecular hydrogen bonds. This correlation has been used to determine the length of the H-bonds (donor-acceptor separation) in a diverse range of enzymes and has been argued to support the existence of short low-barrier H-bonds. Starting with a potential energy surface based on a simple diabatic state model for H-bonds, we calculate Φ as a function of the proton donor-acceptor distance R. For numerical results, we use a parameterization of the model for symmetric O–H⋯O bonds [R. H. McKenzie, Chem. Phys. Lett. 535, 196 (2012)]. We consider the relative contributions of the O–H stretch vibration, O–H bend vibrations (both in plane and out of plane), tunneling splitting effects at finite temperature, and the secondary geometric isotope effect. We compare our total Φ as a function of R with NMR experimental results for enzymes, and in particular with an earlier model parametrization Φ(R), used previously to determine bond lengths.

  4. Various Carbon to Carbon Bond Lengths Inter-related via the Golden Ratio, and their Linear Dependence on Bond Energies

    CERN Document Server

    Heyrovska, Raji

    2008-01-01

    This work presents the relations between the carbon to carbon bond lengths in the single, double and triple bonds and in graphite, butadiene and benzene. The Golden ratio, which was shown to divide the Bohr radius into two parts pertaining to the charged particles, the electron and proton, and to divide inter-atomic distances into their cationic and anionic radii, also plays a role in the carbon-carbon bonds and in the ionic/polar character of those in graphite, butadiene and benzene. Further, the bond energies of the various CC bonds are shown to vary linearly with the bond lengths.

  5. Definition and Application of Topological Index Based on Bond Connectivity

    Institute of Scientific and Technical Information of China (English)

    WANG Zhen-dong; YANG Feng; YANG Hai-lang; LUO Ming-dao; QU Song-sheng

    2003-01-01

    Bond connectivity topological index Si based on chemical bonds was defined by using a matrix method.And Si is formed by atomic parameters such as the number of valence electrons,the number of the highest main quantum of atoms and the bonding electrons and bond parameters such as the length of bonds,the electronegativity difference of bonding atoms.The molecular bond connectivity topological index S is composed of Si.The thermodynamic properties of saturated hydrocarbons,unsaturated hydrocarbons,oxygen organic,methane halide and transitional element compounds and the molecular bond connectivity topological index S have an optimal correlative relationship.

  6. Isotopic fractionation in proteins as a measure of hydrogen bond length

    CERN Document Server

    McKenzie, Ross H; Ramesh, Sai

    2015-01-01

    If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent it may preferentially exchange deuterium for hydrogen. This preference is due to the difference between the vibrational zero-point energy for hydrogen and deuterium. It is found that the associated fractionation factor $\\Phi$ is correlated with the strength of the intramolecular hydrogen bonds. This correlation has been used to determine the length of the H-bonds (donor-acceptor separation) in a diverse range of enzymes and has been argued to support the existence of short low-barrier H-bonds. Starting with a potential energy surface based on a simple diabatic state model for H-bonds we calculate $\\Phi$ as a function of the proton donor-acceptor distance $R$. For numerical results, we use a parameterization of the model for symmetric O-H.... O bonds. We consider the relative contributions of the O-H stretch vibration, O-H bend vibrations (both in plane and out of plane), tunnelling splitting effects at...

  7. Mathematical Simulation of Graphene With Modified c-c Bond Length and Transfer Energy

    Directory of Open Access Journals (Sweden)

    P.A. Alvi

    2011-01-01

    Full Text Available In nanotechnology research, allotropes of carbon like Graphene, Fullerene (Buckyball and Carbon nanotubes are widely used due to their remarkable properties. Electrical and mechanical properties of those allotropes vary with their molecular geometry. This paper is specially based on modeling and simulation of graphene in order to calculate energy band structure in k space with varying the C-C bond length and C-C transfer energy. Significant changes have been observed in the energy band structure of graphene due to variation in C-C bond length and C-C transfer energy. In particular, this paper focuses over the electronic structure of graphene within the frame work of tight binding approximation. It has been reported that conduction and valence states in graphene only meet at two points in k-space and that dispersion around these special points is conical.

  8. Bond Lengths and Bond Strengths in Weak and Strong Chemisorption: N2, CO, and CO/H on Nickel Surfaces

    OpenAIRE

    Sayago, David I.; Hoeft, Jon T.; Polcik, Martin; Kittel, Martin; Toomes, Rachel L.; Robinson, J.; Woodruff, David Phillip; Pascal, Mathieu; Lamont, Christine L. A.; Nisbet, Gareth

    2003-01-01

    New chemical-state-specific scanned-energy mode photoelectron diffraction experiments and density functional theory calculations, applied to CO, CO/H, and N2 adsorption on Ni(100), show that chemisorption bond length changes associated with large changes in bond strength are small, but those associated with changes in bond order are much larger, and are similar to those found in molecular systems. Specifically, halving the bond strength of atop CO to Ni increases the Ni-C distance by 0.06 Å...

  9. Correlation between carbon-carbon bond length and the ease of retro Diels-Alder reaction

    Indian Academy of Sciences (India)

    Sambasivarao Kotha; Shaibal Banerjee; Mobin Shaikh

    2014-09-01

    The bond length between C8-C9 in (1′R,4′S,4a′R,8a′S)-6′,7′-dimethyl-1′,4′,4a′,8a′-tetrahydrospiro [cyclopropane-1,9′-[1,4]methanonaphthalene]-5′,8′-dione is 1.571 (2) Å and between C7-C12 is 1.567 (2) Å which are longer than the corresponding bond length for saturated bicyclic systems (1.531-1.535Å). This paper reports the correlation between bond length and the ease of retro Diels−Alder reaction.

  10. Scaling relation for the bond length, mass density, and packing order of water ice

    CERN Document Server

    Sun, Chang Q

    2013-01-01

    The packing order of molecules and the distance between adjacent oxygen atoms (dOO) in water and ice are most basic yet puzzling. Here we present a scaling solution for this purpose based only on the mass density (gcm-3), (Equation) where dL is the length ({\\AA}) of the O:H van der Waals bond and dH the H-O polar-covalent bond projecting on the O---O line. Validated by the measured proton symmetrization of compressed ice, dOO of water and ice, and dOO expansion at water surface, this solution confirms that the fluctuated, tetrahedrally-coordinated structure is unique for water ice.

  11. Effect of rebar cover and development length on bond and slip in high strength concrete

    International Nuclear Information System (INIS)

    Composite behavior of reinforced concrete requires adequate bond between concrete and steel reinforcement that can transfer stresses between them. The bond strength is influenced by cover to the reinforcement and development length. Experimental investigation was carried out and twisted steel bars conforming to BS 4461 were used in high strength concrete to study bond strength characteristics. The post peak bond behavior was studied by using displacement controlled universal testing machine. The results of this experimentation confirmed that by increasing the cover/bar diameter ratio, bond strength increased and slip decreased for both small and large diameter twisted steel bars. This increased confinement reduced the uneven bond stress distribution along the development length. Stress concentration on the front key (concrete between two ribs) was reduced due to its continuity along the twisted steel bar. Hence it offered maximum possible resistance to bond failure and the bond strength increased. Similarly by increasing the development length, bond strength and corresponding slip both increased. Another fact visible from all figures and observed in all samples, is that as the first concrete key failed there was a sudden drop in bond strength due to the formation of longitudinal splitting cracks. These cracks are visible from the surface of the cylinder. Once a key is failed, failure propagated immediately. (author)

  12. Misleading evidence for covalent bonding from EuIIIX and AmIIIX density functional theory bond lengths

    International Nuclear Information System (INIS)

    Graphical abstract: Density functional calculations are frequently found to yield too long Eu-S bond distances. - Highlights: • Density functional theory provides too long Eu-S bond distances. • Ab initio structure optimizations needed to obtain reliable Eu-S bond distances. • Am-S bonds not necessarily more covalent than Eu-S bonds. - Abstract: In complexes of trivalent Eu and Am standard unrestricted Kohn–Sham density functional calculations tend to yield shorter bond distances for the Am-X than for the Eu-X bonds, especially when X is a so-called soft ligand. Since the ionic radius of AmIII is larger than the one of EuIII the reversed order of the bond distances is sometimes explained by a higher covalency of the Am-X bond compared to the one of the Eu-X bond. A comparison of density functional with wavefunction-based correlated calculations for several model systems reveals, however, that the energetically low-lying and spatially compact 4f shell of EuIII often is erroneously filled with significantly more than 6 electrons at the density functional theory level, thus yielding considerably too long bond distances. Particularly claims based on comparisons of structures optimized at the density functional level that the strong preference of the Cyanex 301 ligand for AmIII over EuIII is due to an increased covalency in the Am-S bonds should be viewed with some reservation

  13. Bond lengths differences between the mollusk-made and geological calcium carbonate

    International Nuclear Information System (INIS)

    We used high-resolution neutron powder diffraction technique in order to accurately measure the atomic positions and bond lengths in calcium carbonates of biogenic (mollusk-made) and geological origin. As a result, in biogenic calcium carbonate we identified atomic bonds, first of all the C-O bonds and some O-O bonds, which obey significant modification (about 1%) with respect to those in geological calcium carbonate. Bond length changes are presumably due to the organic/inorganic interactions in natural bio-composites. Generally, the effect is more pronounced for aragonite, which is structurally more flexible (nine unfixed parameters in atomic positions) than calcite (one parameter of this kind only). The observed bond modifications can be a source of the reported changes in the frequencies of normal vibrations of the carbonate groups measured by Raman or Fourier-transform infrared spectroscopy (FTIR) techniques.

  14. Various Carbon to Carbon Bond Lengths Inter-related via the Golden Ratio, and their Linear Dependence on Bond Energies

    OpenAIRE

    Heyrovska, Raji

    2008-01-01

    This work presents the relations between the carbon to carbon bond lengths in the single, double and triple bonds and in graphite, butadiene and benzene. The Golden ratio, which was shown to divide the Bohr radius into two parts pertaining to the charged particles, the electron and proton, and to divide inter-atomic distances into their cationic and anionic radii, also plays a role in the carbon-carbon bonds and in the ionic/polar character of those in graphite, butadiene and benzene. Further...

  15. Sacrificial Bonds and Hidden Length: Unraveling Molecular Mesostructures in Tough Materials

    OpenAIRE

    Fantner, Georg E.; Oroudjev, Emin; Schitter, Georg; Golde, Laura S.; Thurner, Philipp; Finch, Marquesa M.; Turner, Patricia; Gutsmann, Thomas; Morse, Daniel E.; Hansma, Helen; Hansma, Paul K.

    2005-01-01

    Sacrificial bonds and hidden length in structural molecules and composites have been found to greatly increase the fracture toughness of biomaterials by providing a reversible, molecular-scale energy-dissipation mechanism. This mechanism relies on the energy, of order 100 eV, needed to reduce entropy and increase enthalpy as molecular segments are stretched after being released by the breaking of weak bonds, called sacrificial bonds. This energy is relatively large compared to the energy need...

  16. Relationship between metal–metal bond length and internal rotation in diruthenium tetracarboxylate paddlewheel complexes

    OpenAIRE

    Gracia, Raquel; Adams, Harry; Patmore, Nathan J.

    2009-01-01

    The Ru–Ru bond length for Ru2II,III and Ru2II,II paddlewheel complexes containing the bulky carboxylate ligand 2,4,6-triisopropylbenzoate was found to decrease despite a reduction in Ru–Ru bond order, due to increased internal rotation.

  17. Effect of Different Bar Embedment Length on Bond-Slip in Plain and Fiber Reinforced Concrete

    NARCIS (Netherlands)

    Jankovic, D.; Chopra, M.B.; Kunnath, S.K.

    2001-01-01

    This research aims to study the behaviour of the concrete-steel bond using numerical models, taking into account the effect of the different bar embedment length. Both plain and fiber reinforced concrete (FRC) are modeled. The interface bond stress as well as load-displacement response of the reinfo

  18. Atomic Structures of all the Twenty Essential Amino Acids and a Tripeptide, with Bond Lengths as Sums of Atomic Covalent Radii

    OpenAIRE

    Heyrovska, Raji

    2008-01-01

    Recently, the bond lengths of the molecular components of nucleic acids and of caffeine and related molecules were shown to be sums of the appropriate covalent radii of the adjacent atoms. Thus, each atom was shown to have its specific contribution to the bond length. This enabled establishing their atomic structures for the first time. In this work, the known bond lengths for amino acids and the peptide bond are similarly shown to be sums of the atomic covalent radii. Based on this result, t...

  19. Atomic Structures of the Amino Acids, Glycine, Alanine and Serine and Their Tripeptide, with Bond Lengths as Sums of Atomic Covalent Radii

    CERN Document Server

    Heyrovska, Raji

    2008-01-01

    Recently, the bond lengths of the molecular components of nucleic acids and of caffeine and related molecules were shown to be sums of the appropriate covalent radii of the adjacent atoms. Thus, each atom was shown to have its specific contribution to the bond length. This enabled establishing their atomic structures for the first time. In this work, the known bond lengths for amino acids and the peptide bond are similarly shown to be sums of the atomic covalent radii. Based on this result, the atomic structures of glycine, alanine and serine and their tripeptide have been presented.

  20. NEXAFS Chemical State and Bond Lengths of p-Aminobenzoic Acid in Solution and Solid State

    Science.gov (United States)

    Stevens, J. S.; Gainar, A.; Suljoti, E.; Xiao, J.; Golnak, R.; Aziz, E. F.; Schroeder, S. L. M.

    2016-05-01

    Solid-state and solution pH-dependent NEXAFS studies allow direct observation of the electronic state of para-aminobenzoic acid (PABA) as a function of its chemical environment, revealing the chemical state and bonding of the chemical species. Variations in the ionization potential (IP) and 1s→π* resonances unequivocally identify the chemical species (neutral, cationic, or anionic) present and the varying local environment. Shifts in σ* shape resonances relative to the IP in the NEXAFS spectra vary with C-N bond length, and the important effect of minor alterations in bond length is confirmed with nitrogen FEFF calculations, leading to the possibility of bond length determination in solution.

  1. Bond length effects during the dissociation of O2 on Ni(1 1 1)

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • The dissociation of O2 on Ni(1 1 1) has been investigated using the Nudged Elastic Band (NEB) technique. • An exceptional correlation has been identified between the O/Ni bond order and the O2 bond length for a series of sterically different reaction paths. • Direct magnetic phenomena accompany these processes suggesting further mechanisms for experimental control. - Abstract: The interaction between O2 and Ni(1 1 1) has been investigated using spin-polarised density functional theory. A series of low activation energy (EA = 103–315 meV) reaction pathways corresponding to precursor and non-precursor mediated adsorption have been identified. It has been seen that a predominantly pathway-independent correlation exists between O−Ni bond order and the O2 bond length. This correlation demonstrates that the O−O interaction predominantly determines the bonding of this system

  2. Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions.

    Science.gov (United States)

    Gibbs, G V; Spackman, M A; Jayatilaka, D; Rosso, K M; Cox, D F

    2006-11-01

    For a variety of molecules and earth materials, the theoretical local kinetic energy density, G(r(c)), increases and the local potential energy density, V(r(c)), decreases as the M-O bond lengths (M = first- and second-row metal atoms bonded to O) decrease and the electron density, rho(r(c)), accumulates at the bond critical points, r(c). Despite the claim that the local kinetic energy density per electronic charge, G(r(c))/rho(r(c)), classifies bonded interactions as shared interactions when less than unity and closed-shell when greater, the ratio was found to increase from 0.5 to 2.5 au as the local electronic energy density, H(r(c)) = G(r(c)) + V(r(c)), decreases and becomes progressively more negative. The ratio appears to be a measure of the character of a given M-O bonded interaction, the greater the ratio, the larger the value of rho(r(c)), the smaller the coordination number of the M atom and the more shared the bonded interaction. H(r(c))/rho(r(c)) versus G(r(c))/rho(r(c)) scatter diagrams categorize the M-O bonded interactions into domains with the local electronic energy density per electron charge, H(r(c))/rho(r(c)), tending to decrease as the electronegativity differences for the bonded pairs of atoms decrease. The values of G(r(c)) and V(r(c)), estimated with a gradient-corrected electron gas theory expression and the local virial theorem, are in good agreement with theoretical values, particularly for the bonded interactions involving second-row M atoms. The agreement is poorer for shared C-O and N-O bonded interactions. PMID:17078623

  3. Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials: A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Gibbs, Gerald V.; Cox, David F.; Rosso, Kevin M.; Ross, Nancy L.; Downs, R. T.; Spackman, M. A.

    2007-03-01

    Bond critical point and local energy density properties together with net atomic charges were calculated for theoretical electron density distributions, F(r), generated for a variety of Fe and Cu metal-sulfide materials with high- and low-spin Fe atoms in octahedral coordination and high-spin Fe atoms in tetrahedral coordination. The electron density, F(rc), the Laplacian, 32F(rc), the local kinetic energy, G(rc), and the oxidation state of Fe increase as the local potential energy density, V(rc), the Fe-S bond lengths, and the coordination numbers of the Fe atoms decrease. The properties of the bonded interactions for the octahedrally coordinated low-spin Fe atoms for pyrite and marcasite are distinct from those for high-spin Fe atoms for troilite, smythite, and greigite. The Fe-S bond lengths are shorter and the values of F(rc) and 32F(rc) are larger for pyrite and marcasite, indicating that the accumulation and local concentration of F(r) in the internuclear region are greater than those involving the longer, high-spin Fe-S bonded interactions. The net atomic charges and the bonded radii calculated for the Fe and S atoms in pyrite and marcasite are also smaller than those for sulfides with high-spin octahedrally coordinated Fe atoms. Collectively, the Fe-S interactions are indicated to be intermediate in character with the low-spin Fe-S interactions having greater shared character than the highspin interactions. The bond lengths observed for chalcopyrite together with the calculated bond critical point properties are consistent with the formula Cu+Fe3+S2. The bond length is shorter and the F(rc) value is larger for the FeS4 tetrahedron displayed by metastable greigite than those displayed by chalcopyrite and cubanite, consistent with a proposal that the Fe atom in greigite is tetravalent. S-S bond paths exist between each of the surface S atoms of adjacent slabs of FeS6 octahedra comprising the layer sulfide smythite, suggesting that the neutral Fe3S4 slabs are

  4. Theoretical electron density distributions for Fe- and Cu-sulfide earth materials: a connection between bond length, bond critical point properties, local energy densities, and bonded interactions.

    Science.gov (United States)

    Gibbs, G V; Cox, D F; Rosso, K M; Ross, N L; Downs, R T; Spackman, M A

    2007-03-01

    Bond critical point and local energy density properties together with net atomic charges were calculated for theoretical electron density distributions, rho(r), generated for a variety of Fe and Cu metal-sulfide materials with high- and low-spin Fe atoms in octahedral coordination and high-spin Fe atoms in tetrahedral coordination. The electron density, rho(rc), the Laplacian, triangle down2rho(rc), the local kinetic energy, G(rc), and the oxidation state of Fe increase as the local potential energy density, V(rc), the Fe-S bond lengths, and the coordination numbers of the Fe atoms decrease. The properties of the bonded interactions for the octahedrally coordinated low-spin Fe atoms for pyrite and marcasite are distinct from those for high-spin Fe atoms for troilite, smythite, and greigite. The Fe-S bond lengths are shorter and the values of rho(rc) and triangle down2rho(rc) are larger for pyrite and marcasite, indicating that the accumulation and local concentration of rho(r) in the internuclear region are greater than those involving the longer, high-spin Fe-S bonded interactions. The net atomic charges and the bonded radii calculated for the Fe and S atoms in pyrite and marcasite are also smaller than those for sulfides with high-spin octahedrally coordinated Fe atoms. Collectively, the Fe-S interactions are indicated to be intermediate in character with the low-spin Fe-S interactions having greater shared character than the high-spin interactions. The bond lengths observed for chalcopyrite together with the calculated bond critical point properties are consistent with the formula Cu+Fe3+S2. The bond length is shorter and the rho(rc) value is larger for the FeS4 tetrahedron displayed by metastable greigite than those displayed by chalcopyrite and cubanite, consistent with a proposal that the Fe atom in greigite is tetravalent. S-S bond paths exist between each of the surface S atoms of adjacent slabs of FeS6 octahedra comprising the layer sulfide smythite

  5. Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P[double bond, length as m-dash]O bonds.

    Science.gov (United States)

    Feng, Genfeng; Liu, Wei; Peng, Yuxin; Zhao, Bo; Huang, Wei; Dai, Yafei

    2016-07-28

    The cavity of a [2+3] organic molecular cage was partitioned and functionalized by inserting inner-directed P[double bond, length as m-dash]O bonds, which shows CO2 capture and CH4 exclusion due to the size-matching and polarity effects. Computational results demonstrate that the successful segmentation via polar P[double bond, length as m-dash]O bonds facilitates the CO2 molecules to reside selectively inside the cavity. PMID:27356151

  6. Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

    Energy Technology Data Exchange (ETDEWEB)

    Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

    2012-11-15

    Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

  7. Prediction of the bond lengths, vibrational frequencies, and bond dissociation energy of octahedral seaborgium hexacarbonyl, Sg(CO)6

    International Nuclear Information System (INIS)

    The recent syntheses of several new elements (including the recent reports of elements 116 and 118), coupled with the controversy surrounding the naming of elements 104--109, have stimulated a great interest in the chemistry of the transactinide elements. This contribution addresses hypothetical hexacarbonyl complex of seaborgium (Sg, element 106), which is predicted to be a 6d-block transition element with six valence electrons, analogous to Cr, Mo, and W. The authors have previously predicted that, if it were to exist, Sg(CO)6 would exhibit metal-carbonyl bonding that is very similar to that in Cr(CO)6, Mo(CO)6, and W(CO)6, and quite unlike that of the unknown valence isoelectronic actinide complex U(CO)6. This finding is in accord with the scant experimental data available for Sg. The relativistic DV-Xα method used in the earlier paper facilitated the analysis of the molecular orbitals of Sg(CO)6, but did not allow for the calculation of total-energy properties, such as bond lengths and vibrational frequencies. Here the authors will use the superior methodology they have applied to other transactinide molecules to compare the bond lengths, vibrational frequencies, and CO dissociation energy of hypothetical Sg(CO)6 to those of Mo(CO)6 and W(CO)6

  8. Scaling of the critical free length for progressive unfolding of self-bonded graphene

    Energy Technology Data Exchange (ETDEWEB)

    Kwan, Kenny; Cranford, Steven W., E-mail: s.cranford@neu.edu [Laboratory of Nanotechnology in Civil Engineering (NICE), Department of Civil and Environmental Engineering, Northeastern University, 400 Snell Engineering, 360 Huntington Avenue, Boston, Massachusetts 02115 (United States)

    2014-05-19

    Like filled pasta, rolled or folded graphene can form a large nanocapsule surrounding a hollow interior. Use as a molecular carrier, however, requires understanding of the opening of such vessels. Here, we investigate a monolayer sheet of graphene as a theoretical trial platform for such a nanocapsule. The graphene is bonded to itself via aligned disulfide (S-S) bonds. Through theoretical analysis and atomistic modeling, we probe the critical nonbonded length (free length, L{sub crit}) that induces fracture-like progressive unfolding as a function of folding radius (R{sub i}). We show a clear linear scaling relationship between the length and radius, which can be used to determine the necessary bond density to predict mechanical opening/closing. However, stochastic dissipated energy limits any exact elastic formulation, and the required energy far exceeds the dissociation energy of the S-S bond. We account for the necessary dissipated kinetic energy through a simple scaling factor (Ω), which agrees well with computational results.

  9. Relationship between the lengths of covalent and intermolecular bonds in X-H...Y bridges

    International Nuclear Information System (INIS)

    The formula exp(-ln2((rXH - r0XH)/(rsymXH - r0XH))5/3) + exp(-ln2((rYH - r0YH)/(rsymYH - r0YH))5/3) = 1 is proposed, which relates the lengths of both covalent and hydrogen bonds in homo- and heterobridges. This formula is justified by the experimental data from the CSD bank, which was obtained by neutron diffraction for 108 O-H...N hydrogen bridges with bond angles exceeding 170o.

  10. Influence of fibreglass post design and lengths on the bond strength

    OpenAIRE

    Paulo César Freitas Santos Filho; Bruno Rodrigues Reis; Crisnicaw Veríssimo; Paulo Vinicius Soares; Murilo Souza Menezes; Carlos José Soares

    2013-01-01

    Post retention in root canal is an important factor on the clinical success of restorations in endodontically treated teeth. AIM: To evaluate the effect of luting agent, fibreglass post design and lengths on the bond strength of posts. MATERIALS AND METHOD: One hundred eighty single-rooted teeth were root filled and prepared to receive either a parallel-sided and serrated fibreglass post or a tapered and smooth fibreglass post (n=90). The posts were cemented with the following resin cements: ...

  11. Charge transfer mobility of naphthodithiophenediimide derivative: Normal-mode and bond length relaxation analysis

    Science.gov (United States)

    Liu, Xiaoyan; Liu, Yujuan; Zheng, Yujun

    2016-02-01

    In this letter, the charge transfer mobility of naphthalenediimide (NDTI) derivative is investigated. By employing the normal-mode analysis and bond length relaxation analysis, the influences of chemical elements on reorganization energies and intermolecular electronic couplings are investigated in NDTI derivative. The results show that the introduction of atom O would decrease reorganization energy in hole-hopping process and increase electronic coupling. This analysis encourages the molecular and material design in organic semiconductors.

  12. NEXAFS Sensitivity to Bond Lengths in Complex Molecular Materials: A Study of Crystalline Saccharides.

    Science.gov (United States)

    Gainar, Adrian; Stevens, Joanna S; Jaye, Cherno; Fischer, Daniel A; Schroeder, Sven L M

    2015-11-12

    Detailed analysis of the C K near-edge X-ray absorption fine structure (NEXAFS) spectra of a series of saccharides (fructose, xylose, glucose, galactose, maltose monohydrate, α-lactose monohydrate, anhydrous β-lactose, cellulose) indicates that the precise determination of IPs and σ* shape resonance energies is sensitive enough to distinguish different crystalline saccharides through the variations in their average C-OH bond lengths. Experimental data as well as FEFF8 calculations confirm that bond length variations in the organic solid state of 10(-2) Å can be experimentally detected, opening up the possibility to use NEXAFS for obtaining incisive structural information for molecular materials, including noncrystalline systems without long-range order such as dissolved species in solutions, colloids, melts, and similar amorphous phases. The observed bond length sensitivity is as good as that originally reported for gas-phase and adsorbed molecular species. NEXAFS-derived molecular structure data for the condensed phase may therefore be used to guide molecular modeling as well as to validate computationally derived structure models for such systems. Some results indicate further analytical value in that the σ* shape resonance analysis may distinguish hemiketals from hemiacetals (i.e., derived from ketoses and aldoses) as well as α from β forms of otherwise identical saccharides. PMID:26459024

  13. 纤维束埋置长度对纤维编织网与混凝土的黏结性能的影响%Influence of initial bond length on bond behavior between textile and concrete

    Institute of Scientific and Technical Information of China (English)

    金贺楠; 王伯昕; 满腾

    2014-01-01

    纤维编织网与混凝土能否协调工作取决于两者之间的黏结强度。通过拉拔试验,分析了纤维束埋置长度对纤维网与混凝土黏结性能的影响,分析了纤维编织网与混凝土之间应力传递的机理。试验结果表明:随纤维束埋长增长,纤维束的极限拉拔力不断增加,平均黏结强度降低。最后提出了最佳埋置长度的取值和基本锚固长度的计算公式。%Whether textile and concrete can coordinate with each other is related to their bond behavior.The influence of initial bond length on bond behavior between textile and concrete was investigated based on the pull-out tests.Meanwhile the mechanism of the bond stress how is transferred from concrete matrix to textile is reviewed.The results showed that the ultimate pull force increases and the aver-age bond strength declines with the enhancement of initial bond length.Finally the best value of initial bond length and the formula of basic anchorage length are recommended in this paper.

  14. Comparative study on direct and indirect bracket bonding techniques regarding time length and bracket detachment

    Directory of Open Access Journals (Sweden)

    Jefferson Vinicius Bozelli

    2013-12-01

    Full Text Available OBJECTIVE: The aim of this study was to assess the time spent for direct (DBB - direct bracket bonding and indirect (IBB - indirect bracket bonding bracket bonding techniques. The time length of laboratorial (IBB and clinical steps (DBB and IBB as well as the prevalence of loose bracket after a 24-week follow-up were evaluated. METHODS: Seventeen patients (7 men and 10 women with a mean age of 21 years, requiring orthodontic treatment were selected for this study. A total of 304 brackets were used (151 DBB and 153 IBB. The same bracket type and bonding material were used in both groups. Data were submitted to statistical analysis by Wilcoxon non-parametric test at 5% level of significance. RESULTS: Considering the total time length, the IBB technique was more time-consuming than the DBB (p < 0.001. However, considering only the clinical phase, the IBB took less time than the DBB (p < 0.001. There was no significant difference (p = 0.910 for the time spent during laboratorial positioning of the brackets and clinical session for IBB in comparison to the clinical procedure for DBB. Additionally, no difference was found as for the prevalence of loose bracket between both groups. CONCLUSION: the IBB can be suggested as a valid clinical procedure since the clinical session was faster and the total time spent for laboratorial positioning of the brackets and clinical procedure was similar to that of DBB. In addition, both approaches resulted in similar frequency of loose bracket.

  15. Bond Lengths and Bond Strengths in Weak and Strong Chemisorption: N2, CO, and CO/H on Nickel Surfaces

    OpenAIRE

    Sayago, D.; Hoeft, J.; Polcik, M.; Kittel, M; Toomes, R.; Robinson, J.; Woodruff, D.; Pascal, M.; LaMont, C.; Nisbet, G.

    2003-01-01

    New chemical-state-specific scanned-energy mode photoelectron diffraction experiments and density functional theory calculations, applied to CO, CO/H, and N2 adsorption on Ni(100), show that chemisorption bond length changes associated with large changes in bond strength are small, but those associated with changes in bond order are much larger, and are similar to those found in molecular systems. Specifically, halving the bond strength of atop CO to Ni increases the Ni-C distance by 0.06 Å, ...

  16. Influence of steel fibres on bond and development length of deformed bars in normal strength concrete

    Science.gov (United States)

    Tenzey, Ugyen

    Transverse reinforcement (stirrups) plays an important role in improving bond and anchorage of deformed bars in reinforced concrete structures. Steel fibres or steel fibre reinforced concrete (SFRC) can be used in lieu of stirrups to provide a similar beneficial effect. The application of steel fibres in lieu of stirrups is not recognized in codes of practice for concrete structures because of limited research for this type of application. The results of this study are based on 18 large scale test beams (250 mm wide by 300 mm high and 3.4 m long). Control cylinders and flexure prisms are used to obtain the required concrete material properties together with tension tests of the steel rebar. The focus of this research is to investigate the influence of steel fibres to enhance bond and development of deformed reinforcing bars in normal strength reinforced concrete beams. An attempt is also made to develop an understanding and rationale of the effect SFRC has on improving bond. Longitudinal reinforcement in most of the beams is lap spliced with different types of confinement in the spliced region (plain concrete, plain concrete with stirrups, SFRC, and SFRC with stirrups), and evaluated under third point loading to ensure the spliced bars are subjected to a constant tensile force in the region of constant moment. All of the beams with spliced reinforcement failed in bond before yielding of the longitudinal reinforcement. The SFRC mix uses steel fibres at an 80 kg/m3 dosage (1% by volume). The plain concrete beams without any transverse reinforcement failed suddenly without any warning. The presence of steel fibres did not affect the flexural cracking load of the specimens, but did provide a consistent increase in the load capacity at bond failure and ensure a more controlled failure. The spliced beams with SFRC exhibited a 22.5% increase in the bond failure load capacity compared with the plain concrete beams. The combined effect of fibres and transverse reinforcement

  17. Surface Bond Strength in Nickel Based Alloys

    OpenAIRE

    Ramesh, Ganesh; Padmanabhan, T. V.; Ariga, Padma; Joshi, Shalini; Bhuminathan, S.; Vijayaraghavan, Vasantha

    2012-01-01

    Bonding of ceramic to the alloy is essential for the longevity of porcelain fused to metal restorations. Imported alloys used now a days in processing them are not economical. So this study was conducted to evaluate and compare the bond strength of ceramic material to nickel based cost effective Nonferrous Materials Technology Development Center (NFTDC), Hyderabad and Heraenium S, Heraeus Kulzer alloy. An Instron testing machine, which has three-point loading system for the application of loa...

  18. Dependence of the length of the hydrogen bond on the covalent and cationic radii of hydrogen, and additivity of bonding distances

    Czech Academy of Sciences Publication Activity Database

    Heyrovská, Raji

    2006-01-01

    Roč. 432, č. 1-3 (2006), s. 348-351. ISSN 0009-2614 R&D Projects: GA MŠk(CZ) LC06035 Institutional research plan: CEZ:AV0Z50040507 Keywords : length of the hydrogen bond * ionic radius * Golden ratio Subject RIV: BO - Biophysics Impact factor: 2.462, year: 2006

  19. NMR-based metabolomics reveals that conjugated double bond content and lipid storage efficiency in HepG2 cells are affected by fatty acid cis/trans configuration and chain length

    DEFF Research Database (Denmark)

    Najbjerg, Heidi; Young, Jette F; Bertram, Hanne Christine S.

    2011-01-01

    :0), myristic acid (C14:0), or palmitic acid (C16:0), an effect of fatty acid length was also evident, and data indicated that short-chain fatty acids (C4C6) are immediately converted, whereas mediumlong-chain fatty acids (C1216) are incorporated into triglycerides and deposited in the cells. In conclusion, the......In the present study the metabolic response to various fatty acids was investigated in HepG2 cells by using a 1HNMRbased approach. To elucidate the effect of cis/trans configuration, the cells were exposed to either oleic acid (C18:1 cis-9), elaidic acid (C18:1 trans-9), vaccenic acid (C18:1 trans......-11), linoleic acid (C18:2), or palmitic acid (C16:0), and multivariate data analysis revealed a strong effect of fatty acid on the lipophilic metabolite fraction. Inspection of the spectra revealed that the difference between the observed responses could be ascribed to the appearance of resonances...

  20. Photochromic supramolecular azopolyimides based on hydrogen bonds

    Science.gov (United States)

    Schab-Balcerzak, Ewa; Flakus, Henryk; Jarczyk-Jedryka, Anna; Konieczkowska, Jolanta; Siwy, Mariola; Bijak, Katarzyna; Sobolewska, Anna; Stumpe, Joachim

    2015-09-01

    The approach of deriving new photoresponsive active supramolecular azopolymers based on the hydrogen bonds is described. Polymers with imide rings, i.e., poly(esterimide)s and poly(etherimide)s, with phenolic hydroxyl or carboxylic groups were applied as matrixes for the polymer-dye supramolecular systems. Supramolecular films were built on the basis of the hydrogen bonds between the functional groups of the polymers and various azochromophores, that is, 4-phenylazophenol, 4-[4-(6-hydroxyhexyloxy)phenylazo]benzene, 4-[4-(6-hexadecaneoxy)phenylazo]pyridine and 4-(4-hydroxyphenylazo)pyridine. The hydrogen bonding interaction in azo-systems were studied by Fourier transform infrared spectroscopy and for selected assembles by 1H NMR technique. The obtained polyimide azo-assembles were characterized by X-ray diffraction and DSC measurements. H-bonds allow attaching a chromophore to each repeating unit of the polymer, thereby suppressing the macroscopic phase separation except for the systems based on 4-[4-(6-hydroxyhexyloxy)phenylazo]benzene. H-bonds systems were amorphous and revealed glass transition temperatures lower than for the polyimide matrixes (170-260 °C). The photoresponsive behavior of the azo-assemblies was tasted in holographic recording experiment.

  1. Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability

    Energy Technology Data Exchange (ETDEWEB)

    Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martinez, Todd J.; Schultz, Arthur J.; Herschiag, Daniel

    2015-05-06

    Hydrogen bonds profoundly influence the architecture and activity of biological macromolecules. Deep appreciation of hydrogen bond contributions to biomolecular function thus requires a detailed understanding of hydrogen bond structure and energetics and the relationship between these properties. Hydrogen bond formation energies (Delta G(f)) are enormously more favorable in aprotic solvents than in water, and two classes of contributing factors have been proposed to explain this energetic difference, focusing respectively on the isolated and hydrogen-bonded species: (I) water stabilizes the dissociated donor and acceptor groups much better than aprotic solvents, thereby reducing the driving force for hydrogen bond formation; and (II) water lengthens hydrogen bonds compared to aprotic environments, thereby decreasing the potential energy within the hydrogen bond. Each model has been proposed to provide a dominant contribution to Delta G(f), but incisive tests that distinguish the importance of these contributions are lacking. Here we directly test the structural basis of model II. Neutron crystallography, NMR spectroscopy, and quantum mechanical calculations demonstrate that O-H center dot center dot center dot O hydrogen bonds in crystals, chloroform, acetone, and water have nearly identical lengths and very similar potential energy surfaces despite Delta G(f) differences >8 kcal/mol across these solvents. These results rule out a substantial contribution from solvent-dependent differences in hydrogen bond structure and potential energy after association (model II) and thus support the conclusion that differences in hydrogen bond Delta G(f) are predominantly determined by solvent interactions with the dissociated groups (model I). These findings advance our understanding of universal hydrogen-bonding interactions and have important implications for biology and engineering.

  2. HYDROGEN BONDING IN POLYMERIC ADSORBENTS BASED ADSORPTION AND SEPARATION

    Institute of Scientific and Technical Information of China (English)

    XUMancai; SHIZuoqing; 等

    2000-01-01

    After a concise introduction of hydrogen bonding effects in solute-solute and solute-solvent bonding,the design of polymeric adsorbents based on hydrogen bonding ,selectivity in adsorption through hydrogen bonding,and characterization of hydrogen bonding in adsorption and separation were reviewed with 28 references.

  3. Recodable surfaces based on switchable hydrogen bonds.

    Science.gov (United States)

    Wedler-Jasinski, Nils; Delbosc, Nicolas; Virolleaud, Marie-Alice; Montarnal, Damien; Welle, Alexander; Barner, Leonie; Walther, Andreas; Bernard, Julien; Barner-Kowollik, Christopher

    2016-07-01

    We introduce recodable surfaces solely based on reversible artificial hydrogen bonding interactions. We show that a symmetrical oligoamide (SOA) attached to poly(methyl methacrylate) (PMMA) can be repeatedly immobilized and cleaved off spatially defined surface domains photochemically functionalized with asymmetric oligoamides (AOAs). The spatially resolved recodability is imaged and quantified via ToF-SIMS. PMID:27339101

  4. Electron-electron interactions in the chemical bond: ``1/3” Effect in the bond length of hydrogen molecule

    Indian Academy of Sciences (India)

    P Ganguly

    2001-10-01

    The prominent ``1/3” effect observed in the Hall effect plateaus of twodimensional electron gas (2DEG) systems has been postulated to indicating 1/3 fractional charge quasiparticle excitations arising from electron-electron interactions. Tunneling shot-noise experiments on 2DEF exhibiting fractional quantum Hall effect (FQHE) shows evidence for tunnelling of particles with and /3 charges for a constant band mass. A ``1/3” effect in the hydrogen molecule is seen in as much as its internuclear distance, - = - + +, with |+/-| = 1/3. This is examined in terms of electron-electron interactions involving electron- and hole quasiparticles, (-) and (ℎ+), equivalent to those observed in FQHE shot-noise experiments. The (/) ratio of the (-) and (ℎ+) quasiparticles is kept at 1: -3. Instead of a 2DEG, these particles are treated as being in flat Bohr orbits. A treatment in the language of charge-flux tube composites for the hydrogen atom as well as the hydrogen molecule is attempted. Such treatment gives important insights into changes in chemical potential and bond energy on crossing a phase boundary during the atom-bond transition as well as on models for FQHE itself.

  5. Atomic Structures of Graphene, Benzene and Methane with Bond Lengths as Sums of the Single, Double and Resonance Bond Radii of Carbon

    CERN Document Server

    Heyrovska, Raji

    2008-01-01

    Two dimensional layers of graphene are currently drawing a great attention in fundamental and applied nanoscience. Graphene consists of interconnected hexagons of carbon atoms as in graphite. This article presents for the first time the structures of graphene at the atomic level and shows how it differs from that of benzene, due to the difference in the double bond and resonance bond based radii of carbon. The carbon atom of an aliphatic compound such as methane has a longer covalent single bond radius as in diamond. All the atomic structures presented here have been drawn to scale.

  6. The Hydrogen Bonded Structures of Two 5-Bromobarbituric Acids and Analysis of Unequal C5–X and C5–X′ Bond Lengths (X = X′ = F, Cl, Br or Me in 5,5-Disubstituted Barbituric Acids

    Directory of Open Access Journals (Sweden)

    Thomas Gelbrich

    2016-04-01

    Full Text Available The crystal structure of the methanol hemisolvate of 5,5-dibromobarbituric acid (1MH displays an H-bonded layer structure which is based on N–H∙∙∙O=C, N–H∙∙∙O(MeOH and (MeOHO–H∙∙∙O interactions. The barbiturate molecules form an H-bonded substructure which has the fes topology. 5,5′-Methanediylbis(5-bromobarbituric acid 2, obtained from a solution of 5,5-dibromobarbituric acid in nitromethane, displays a N–H···O=C bonded framework of the sxd type. The conformation of the pyridmidine ring and the lengths of the ring substituent bonds C5–X and C5–X′ in crystal forms of 5,5-dibromobarbituric acid and three closely related analogues (X = X′ = Br, Cl, F, Me have been investigated. In each case, a conformation close to a C5-endo envelope is correlated with a significant lengthening of the axial C5–X′ in comparison to the equatorial C5–X bond. Isolated molecule geometry optimizations at different levels of theory confirm that the C5-endo envelope is the global conformational energy minimum of 5,5-dihalogenbarbituric acids. The relative lengthening of the axial bond is therefore interpreted as an inherent feature of the preferred envelope conformation of the pyrimidine ring, which minimizes repulsive interactions between the axial substituent and pyrimidine ring atoms.

  7. Atomic Structures of Graphene, Benzene and Methane with Bond Lengths as Sums of the Single, Double and Resonance Bond Radii of Carbon

    OpenAIRE

    Heyrovska, Raji

    2008-01-01

    Two dimensional layers of graphene are currently drawing a great attention in fundamental and applied nanoscience. Graphene consists of interconnected hexagons of carbon atoms as in graphite. This article presents for the first time the structures of graphene at the atomic level and shows how it differs from that of benzene, due to the difference in the double bond and resonance bond based radii of carbon. The carbon atom of an aliphatic compound such as methane has a longer covalent single b...

  8. Origin of bulklike structure and bond length disorder of Pt37 and Pt6Ru31 clusters on carbon: comparison of theory and experiment.

    Science.gov (United States)

    Wang, Lin-Lin; Khare, Sanjay V; Chirita, Valeriu; Johnson, D D; Rockett, Angus A; Frenkel, Anatoly I; Mack, Nathan H; Nuzzo, Ralph G

    2006-01-11

    We describe a theoretical analysis of the structures of self-organizing nanoparticles formed by Pt and Ru-Pt on carbon support. The calculations provide insights into the nature of these metal particle systems-ones of current interest for use as the electrocatalytic materials of direct oxidation fuel cells-and clarify complex behaviors noted in earlier experimental studies. With clusters deposited via metallo-organic Pt or PtRu(5) complexes, previous experiments [Nashner et al. J. Am. Chem. Soc. 1997, 119, 7760; Nashner et al. J. Am. Chem. Soc. 1998, 120, 8093; Frenkel et al. J. Phys. Chem. B 2001, 105, 12689] showed that the Pt and Pt-Ru based clusters are formed with fcc(111)-stacked cuboctahedral geometry and essentially bulklike metal-metal bond lengths, even for the smallest (few atom) nanoparticles for which the average coordination number is much smaller than that in the bulk, and that Pt in bimetallic [PtRu(5)] clusters segregates to the ambient surface of the supported nanoparticles. We explain these observations and characterize the cluster structures and bond length distributions using density functional theory calculations with graphite as a model for the support. The present study reveals the origin of the observed metal-metal bond length disorder, distinctively different for each system, and demonstrates the profound consequences that result from the cluster/carbon-support interactions and their key role in the structure and electronic properties of supported metallic nanoparticles. PMID:16390140

  9. Comparison of Shear Bond Strengths of three resin systems for a Base Metal Alloy bonded to

    Directory of Open Access Journals (Sweden)

    Jlali H

    1999-12-01

    Full Text Available Resin-bonded fixed partial dentures (F.P.D can be used for conservative treatment of partially edentulous"npatients. There are numerous studies regarding the strength of resin composite bond to base meta! alloys. Shear bond"nstrength of three resin systems were invistigated. In this study these systems consisted of: Panavia Ex, Mirage FLC and"nMarathon V. Thirty base metal specimens were prepared from rexillium III alloy and divided into three groups. Then each"ngroup was bonded to enamel of human extracted molar teeth with these systems. All of specimens were stored in water at"n37ac for 48 hours. A shear force was applied to each specimen by the instron universal testing machine. A statistical"nevaluation of the data using one-way analysis of variance showed that there was highly significant difference (P<0.01"nbetween the bond strengths of these three groups."nThe base metal specimens bonded with panavia Ex luting agent, exhibited the highest mean bond strength. Shear bond"nstrength of the specimens bonded to enamel with Mirage F1C showed lower bond strenght than panavia EX. However, the"nlowest bond strength was obtained by the specimens bonded with Marathon V.

  10. A method of coupling the Paternò-Büchi reaction with direct infusion ESI-MS/MS for locating the C[double bond, length as m-dash]C bond in glycerophospholipids.

    Science.gov (United States)

    Stinson, Craig A; Xia, Yu

    2016-06-21

    Tandem mass spectrometry (MS/MS) coupled with soft ionization is established as an essential platform for lipid analysis; however, determining high order structural information, such as the carbon-carbon double bond (C[double bond, length as m-dash]C) location, remains challenging. Recently, our group demonstrated a method for sensitive and confident lipid C[double bond, length as m-dash]C location determination by coupling online the Paternò-Büchi (PB) reaction with nanoelectrospray ionization (nanoESI) and MS/MS. Herein, we aimed to expand the scope of the PB reaction for lipid analysis by enabling the reaction with infusion ESI-MS/MS at much higher flow rates than demonstrated in the nanoESI setup (∼20 nL min(-1)). In the new design, the PB reaction was effected in a fused silica capillary solution transfer line, which also served as a microflow UV reactor, prior to ESI. This setup allowed PB reaction optimization and kinetics studies. Under optimized conditions, a maximum of 50% PB reaction yield could be achieved for a standard glycerophosphocholine (PC) within 6 s of UV exposure over a wide flow rate range (0.1-10 μL min(-1)). A solvent composition of 7 : 3 acetone : H2O (with 1% acid or base modifier) allowed the highest PB yields and good lipid ionization, while lower yields were obtained with an addition of a variety of organic solvents. Radical induced lipid peroxidation was identified to induce undesirable side reactions, which could be effectively suppressed by eliminating trace oxygen in the solution via N2 purge. Finally, the utility of coupling the PB reaction with infusion ESI-MS/MS was demonstrated by analyzing a yeast polar lipid extract where C[double bond, length as m-dash]C bond locations were revealed for 35 glycerophospholipids (GPs). PMID:26892746

  11. Distinguishing the Effects of Bond-Length Alternation versus Bond-Order Alternation on the Nonlinear Optical Properties of π-Conjugated Chromophores

    KAUST Repository

    Gieseking, Rebecca L.

    2015-06-18

    Understanding the relationships between the molecular nonlinear optical (NLO) properties and the bond-length alternation (BLA) or π-bond-order alternation (BOA) along the molecular backbone of linear π-conjugated systems has proven widely useful in the development of NLO organic chromophores and materials. Here, we examine model polymethines to elucidate the reliability of these relationships. While BLA is solely a measure of molecular geometric structure, BOA includes information pertaining to the electronic structure. As a result, BLA is found to be a good predictor of NLO properties only when optimized geometries are considered, whereas BOA is more broadly applicable. Proper understanding of the distinction between BLA and BOA is critical when designing computational studies of NLO properties, especially for molecules in complex environments or in nonequilibrium geometries. © 2015 American Chemical Society.

  12. Valuing Convertible Bonds Based on LSRQM Method

    OpenAIRE

    Jian Liu; Lizhao Yan; Chaoqun Ma

    2014-01-01

    Convertible bonds are one of the essential financial products for corporate finance, while the pricing theory is the key problem to the theoretical research of convertible bonds. This paper demonstrates how to price convertible bonds with call and put provisions using Least-Squares Randomized Quasi-Monte Carlo (LSRQM) method. We consider the financial market with stochastic interest rates and credit risk and present a detailed description on calculating steps of convertible bonds value. The e...

  13. Valuing Convertible Bonds Based on LSRQM Method

    Directory of Open Access Journals (Sweden)

    Jian Liu

    2014-01-01

    Full Text Available Convertible bonds are one of the essential financial products for corporate finance, while the pricing theory is the key problem to the theoretical research of convertible bonds. This paper demonstrates how to price convertible bonds with call and put provisions using Least-Squares Randomized Quasi-Monte Carlo (LSRQM method. We consider the financial market with stochastic interest rates and credit risk and present a detailed description on calculating steps of convertible bonds value. The empirical results show that the model fits well the market prices of convertible bonds in China’s market and the LSRQM method is effective.

  14. VARIABLE LENGTH KEY BASED VISUAL CRYPTOGRAPHY SCHEME FOR COLOR IMAGE

    OpenAIRE

    Akhil Anjikar; Prashant Dahiwale; Suchita Tarare

    2014-01-01

    Visual Cryptography is a special encryption technique that encrypts the secret image into n number of shares to hide information in images in such a way that it can be decrypted by the human visual system. It is imperceptible to reveal the secret information unless a certain number of shares (k) or more are superimposed. Simple visual cryptography is very insecure. Variable length key based visual cryptography for color image uses a variable length Symmetric Key based Visual Cr...

  15. Comparison of the shear bond strength of orthodontic brackets bonded using silorane base and metacrylate base composite

    Directory of Open Access Journals (Sweden)

    Abdolrahim Davari

    2015-07-01

    Full Text Available Background and Aims: Orthodontic bracket failure during treatment is a common problem. With the introduction of low shrinkage composites the question is that whether: this sufficient has coefficient bond strength for bonding bracket during orthodontic treatment. The aim of this study was to compare the shear bond strength (SBS of silorane-based and metacrylate-based composites to metal brackets.   Materials and Methods: 30 human premolar teeth were collected and divided into 2 groups. In group 1, 15 orthodontic brackets were bonded using silorane-based composite, in group 2, 15 orthodontic brackets were bonded using metacrylate-based composite. The shear bond strength of each specimen was determined in an Instron machine. Amount of residual adhesive remaining on each tooth was evaluated using a stereomicroscope. Data were analyzed using T-test to compare the shear bond strength between groups and LSD method to compare the Adhesive Remnant Index (ARI scores.   Results: There was significant difference in the SBS between the test groups (P<0.001. The mean bond strength of bonding brackets to silorane-based composite was (42.42 ± 7.03 MPa, and the mean bond strength of bonding brackets metacrylate-based composite was (21.08±2.97 MPa. No significant difference in the ART was found between groups (P=0.66.   Conclusion: Silorane-based composite provided higher bond strength to orthodontic metal brackets.

  16. Accurate rotational constant and bond lengths of hexafluorobenzene by femtosecond rotational Raman coherence spectroscopy and ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Den, Takuya S.; Frey, Hans-Martin; Leutwyler, Samuel, E-mail: leutwyler@dcb.unibe.ch [Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, CH-3000 Bern 9 (Switzerland)

    2014-11-21

    The gas-phase rotational motion of hexafluorobenzene has been measured in real time using femtosecond (fs) time-resolved rotational Raman coherence spectroscopy (RR-RCS) at T = 100 and 295 K. This four-wave mixing method allows to probe the rotation of non-polar gas-phase molecules with fs time resolution over times up to ∼5 ns. The ground state rotational constant of hexafluorobenzene is determined as B{sub 0} = 1029.740(28) MHz (2σ uncertainty) from RR-RCS transients measured in a pulsed seeded supersonic jet, where essentially only the v = 0 state is populated. Using this B{sub 0} value, RR-RCS measurements in a room temperature gas cell give the rotational constants B{sub v} of the five lowest-lying thermally populated vibrationally excited states ν{sub 7/8}, ν{sub 9}, ν{sub 11/12}, ν{sub 13}, and ν{sub 14/15}. Their B{sub v} constants differ from B{sub 0} by between −1.02 MHz and +2.23 MHz. Combining the B{sub 0} with the results of all-electron coupled-cluster CCSD(T) calculations of Demaison et al. [Mol. Phys. 111, 1539 (2013)] and of our own allow to determine the C-C and C-F semi-experimental equilibrium bond lengths r{sub e}(C-C) = 1.3866(3) Å and r{sub e}(C-F) = 1.3244(4) Å. These agree with the CCSD(T)/wCVQZ r{sub e} bond lengths calculated by Demaison et al. within ±0.0005 Å. We also calculate the semi-experimental thermally averaged bond lengths r{sub g}(C-C)=1.3907(3) Å and r{sub g}(C-F)=1.3250(4) Å. These are at least ten times more accurate than two sets of experimental gas-phase electron diffraction r{sub g} bond lengths measured in the 1960s.

  17. Theory of tunneling across hydrogen-bonded base pairs for DNA recognition and sequencing

    Science.gov (United States)

    Lee, Myeong H.; Sankey, Otto F.

    2009-05-01

    We present the results of first-principles calculations for the electron tunnel current through hydrogen-bonded DNA base pairs and for (deoxy)nucleoside-nucleobase pairs. Electron current signals either through a base pair or through a deoxynucleoside-nucleobase pair are a potential mechanism for recognition or identification of the DNA base on a single-stranded DNA polymer. Four hydrogen-bonded complexes are considered: guanine-cytosine, diaminoadenine-thymine, adenine-thymine, and guanine-thymine. First, the electron tunneling properties are examined through their complex band structure (CBS) and the metal contact’s Fermi-level alignment. For gold contacts, the metal Fermi level lies near the highest occupied molecular orbital for all DNA base pairs. The decay constant determined by the complex band structure at the gold Fermi level shows that tunnel current decays more slowly for base pairs with three hydrogen bonds (guanine-cytosine and diaminoadenine-thymine) than for base pairs with two hydrogen bonds (adenine-thymine and guanine-thymine). The decay length and its dependence on hydrogen-bond length are examined. Second, the conductance is computed using density functional theory Green’s-function scattering methods and these results agree with estimates made from the tunneling decay constant obtained from the CBS. Changing from a base pair to a deoxynucleoside-nucleobase complex shows a significant decrease in conductance. It also becomes difficult to distinguish the current signal by only the number of hydrogen bonds.

  18. Dynamic single-molecule force spectroscopy: bond rupture analysis with variable spacer length

    International Nuclear Information System (INIS)

    Dynamic force spectroscopy is a valuable technique to explore the energy landscape of molecular interactions. Polymer spacers are typically used to couple the binding partners to the surfaces. To illustrate the impact of polymer spacers on the measured rupture force and loading rate distributions we used a Monte Carlo simulation, which was adjusted step by step towards realistic experimental conditions. We found that the introduction of a polymer spacer with a discrete length had only a marginal effect. However, a distribution of polymer spacers with different lengths may induce drastic changes on the distributions. Three different methods for data analysis were then tested with regard to their ability to reproduce the input values of the Monte Carlo simulations. We found that simple linearization of all data points leads to an analysis error up to one order of magnitude for the dissociation rate and one-third for the potential width. The best results are achieved by determining the dissociation rate and the potential width directly with a probability density function for the rupture forces and the loading rates as a fit function that uses the dissociation rate and the potential width as fit parameters. By applying this method the analysis errors could be reduced below 25% for the dissociation rate and only 3% for the potential width. Applied to a set of experimental data this method proved to be extremely useful and provided detailed information on the distributions. We are able to discriminate specific and non-specific contributions of an aptamer-ligand interaction and correct for the non-specific background. In addition, this procedure allowed us to account for the low force instrumentation cut-off and reconstruct the rupture force and force rate distributions

  19. The accuracy of molecular bond lengths computed by multireference electronic structure methods

    International Nuclear Information System (INIS)

    We compare experimental Re values with computed Re values for 20 molecules using three multireference electronic structure methods, MCSCF, MR-SDCI, and MR-AQCC. Three correlation-consistent orbital basis sets are used, along with complete basis set extrapolations, for all of the molecules. These data complement those computed previously with single-reference methods. Several trends are observed. The SCF Re values tend to be shorter than the experimental values, and the MCSCF values tend to be longer than the experimental values. We attribute these trends to the ionic contamination of the SCF wave function and to the corresponding systematic distortion of the potential energy curve. For the individual bonds, the MR-SDCI Re values tend to be shorter than the MR-AQCC values, which in turn tend to be shorter than the MCSCF values. Compared to the previous single-reference results, the MCSCF values are roughly comparable to the MP4 and CCSD methods, which are more accurate than might be expected due to the fact that these MCSCF wave functions include no extra-valence electron correlation effects. This suggests that static valence correlation effects, such as near-degeneracies and the ability to dissociate correctly to neutral fragments, play an important role in determining the shape of the potential energy surface, even near equilibrium structures. The MR-SDCI and MR-AQCC methods predict Re values with an accuracy comparable to, or better than, the best single-reference methods (MP4, CCSD, and CCSD(T)), despite the fact that triple and higher excitations into the extra-valence orbital space are included in the single-reference methods but are absent in the multireference wave functions. The computed Re values using the multireference methods tend to be smooth and monotonic with basis set improvement. The molecular structures are optimized using analytic energy gradients, and the timings for these calculations show the practical advantage of using variational wave

  20. Pricing for Catastrophe Bonds Based on Expected-value Model

    Directory of Open Access Journals (Sweden)

    Junfei Chen

    2013-02-01

    Full Text Available As the catastrophes cannot be avoided and result in huge economic losses, therefore the compensation issue for catastrophe losses become an important research topic. Catastrophe bonds can effectively disperse the catastrophe risks which mainly undertaken by the government and the insurance companies currently and focus on capital more effectively in broad capital market, therefore to be an ideal catastrophe securities product. This study adopts Expectancy Theory to supplement and improve the pricing of catastrophe bonds based on Value Theory. A model of expected utility is established to determine the conditions of the expected revenue R of catastrophe bonds. The pricing model of the value function is used to get the psychological value of R,U (R-R‾, for catastrophe bonds. Finally, the psychological value is improved by the value according to expected utility and this can more accurately evaluate catastrophe bonds at a reasonable price. This research can provide decision-making for the pricing of catastrophe bonds.

  1. VARIABLE LENGTH KEY BASED VISUAL CRYPTOGRAPHY SCHEME FOR COLOR IMAGE

    Directory of Open Access Journals (Sweden)

    Akhil Anjikar

    2014-11-01

    Full Text Available Visual Cryptography is a special encryption technique that encrypts the secret image into n number of shares to hide information in images in such a way that it can be decrypted by the human visual system. It is imperceptible to reveal the secret information unless a certain number of shares (k or more are superimposed. Simple visual cryptography is very insecure. Variable length key based visual cryptography for color image uses a variable length Symmetric Key based Visual Cryptographic Scheme for color images where a secret key is used to encrypt the image and division of the encrypted image is done using Random Number. Unless the secret key, the original image will not be decrypted. Here secret key ensures the security of image.

  2. Social Bonds and the Role of School-Based Victimization

    Science.gov (United States)

    Popp, Ann Marie; Peguero, Anthony A.

    2012-01-01

    This study explores the impact of school-based victimization on the adolescent's social bond. Previous research has provided empirical support for Hirschi's social control theory that the strength of the adolescent's social bond is associated with the probability that he or she will engage in criminal offending. However, research identifying what…

  3. Innovations in bonding to zirconia-based materials: Part I

    NARCIS (Netherlands)

    M.N.M. Abou Shelib; J.P. Matinlinna; Z. Salameh; H. Ounsi

    2008-01-01

    Abstract Objectives Establishing a reliable bond to zirconia-based materials has proven to be difficult which is the major limitation against fabricating adhesive zirconia restorations. This bond could be improved using novel selective infiltration etching conditioning in combination with engineered

  4. BIT LENGTH REPLACEMENT STEGANOGRAPHY BASED ON DCT COEFFICIENTS

    Directory of Open Access Journals (Sweden)

    K B Shiva Kumar

    2010-08-01

    Full Text Available Steganography is a means of establishing secret communication through public channel in an artistic manner. In this paper, we propose Bit Length Replacement Steganography Based on DCT Coefficients (BLSDCT . The cover image is segmented into 8*8 blocks and DCT is applied on each block. The numbers of payload MSB bits are embedded into DCT coefficients of the cover image based on the values of DCT oefficients. It is observed that the proposed algorithm has better PSNR, Security and capacity compared to the existing algorithm.

  5. A wide angle low coherence interferometry based eye length optometer

    Science.gov (United States)

    Meadway, Alexander; Siegwart, John; Wildsoet, Christine; Norton, Thomas; Zhang, Yuhua

    2015-03-01

    Interest in eye growth regulation has burgeoned with the rise in myopia prevalence world-wide. Eye length and eye shape are fundamental metrics for related research, but current in vivo measurement techniques are generally limited to the optical axis of the eye. We describe a high resolution, time domain low coherence interferometry based optometer for measuring the eye length of small animals over a wide field of view. The system is based upon a Michelson interferometer using a superluminescent diode as a source, including a sample arm and a reference arm. The sample arm is split into two paths by a polarisation beam splitter; one focuses the light on the cornea and the other focuses the light on the retina. This method has a high efficiency of detection for reflections from both surfaces. The reference arm contains a custom high speed linear motor with 25 mm stroke and equipped with a precision displacement encoder. Light reflected from the cornea and the retina is combined with the reference beam to generate low coherence interferograms. Two galvo scanners are employed to steer the light to different angles so that the eye length over a field of view of 20° × 20° can be measured. The system has an axial resolution of 6.8 μm (in air) and the motor provides accurate movement, allowing for precise and repeatable measurement of coherence peak positions. Example scans from a tree shrew are presented.

  6. Corner detection using arc length-based angle estimator

    Science.gov (United States)

    Zhang, Shizheng; Yang, Dan; Huang, Sheng; Zhang, Xiaohong; Qu, Ying; Tu, Liyun; Ren, Zemin

    2015-11-01

    We present a corner-detection method named arc length-based angle estimator (AAE). Different from most of the existing approaches, AAE focuses on employing angle detection for finding corners, because angle is an important measure for discrete curvature. AAE provides a new robust solution to the estimation of the K-cosine. In AAE, the K-cosine estimation issue in the x, y space is considered as the problem of the slope estimations in the s, x and s, y spaces, where s is the arc length. Then, weighted least square fitting is employed to address such a slope estimation issue. Experimental results demonstrate that AAE can achieve promising performance in comparison with some recent state-of-the-art approaches under two commonly used evaluation metrics, namely average repeatability and localization error criteria.

  7. Reinterpretation of bond-valence model with bond-order formalism: an improved bond-valence based interatomic potential for PbTiO$_3$

    OpenAIRE

    Liu, Shi; Grinberg, Ilya; Takenaka, Hiroyuki; Rappe, Andrew M.

    2012-01-01

    We present a modified bond-valence model of PbTiO$_3$ based on the principles of bond-valence and bond-valence vector conservation. The relationship between the bond-valence model and the bond-order potential is derived analytically in the framework of a tight-binding model. A new energy term, bond-valence vector energy, is introduced into the atomistic model and the potential parameters are re-optimized. The new model potential can be applied both to canonical ensemble ($NVT$) and isobaric-i...

  8. Effect of alcohol chain length, concentration and polarity on separations in high-performance liquid chromatography using bonded cyclodextrin columns.

    Science.gov (United States)

    Atamna, I Z; Muschik, G M; Issaq, H J

    1990-01-19

    The effect of alcohol chain length, concentration and polarity on separation in high-performance liquid chromatography using beta-cyclodextrin-bonded silica is discussed. The results show that retention times cannot be predicted merely from the polarity of the binary mobile phase. Although organic modifiers with the same physico-chemical properties and from the same solvent group were used, the retention times obtained using binary mobile phases having the same polarity, were different. It was also observed that normal-chain carbon alcohols gave retention times shorter than those obtained with a branched-chain alcohol (n-propanol vs. isopropanol), and the longer the alcohol chain the shorter the retention times. A plot of ln k' vs. alcohol volume fraction for benzene, toluene, ethylbenzene, propylbenzene, butylbenzene, 1-phenylhexane and 1-phenyloctane gave a linear relationship in methanol, ethanol and propanol (except for 1-phenylhexane). A non-linear relationship was obtained for all the solutes in isopropanol, tert.-butanol and 1-butanol, in the alcohol volume fraction studied. PMID:2324212

  9. Linear optical properties and their bond length dependence of yttrium bromide from ab initio and density functional theory calculations

    International Nuclear Information System (INIS)

    Graphical abstract: The electronic properties such as the static dipole polarizability, anisotropy of the polarizability, and dipole moment of yttrium bromide, YBr (X1Σ) have been theoretically studied. Highlights: → Conventional ab initio and density functional theory methods were employed to study linear optical properties of YBr molecule. → Properties derivatives and their level of theory dependence were studied. → Electron correlation effects and rovibrational corrections have also been discussed. - Abstract: We have employed conventional ab initio and density functional theory methods to study the electronic properties such as the mean static dipole polarizability, α-bar, anisotropy of the polarizability, Δα, and dipole moment, μ, of yttrium bromide. The bond length dependence of properties is determined at different levels of theory and appropriate expansions around experimental internuclear distance have been presented. Moreover, the first and second geometrical derivatives for each property are quantified and their level of theory dependence has been analyzed. To study the effect of molecular rotation and vibration on the electronic properties, the rovibrational corrections have also been carried out. It is found that these corrections are less pronounced for considered properties of YBr. In all calculations, the electron correlation effects have been considered and discussed. The obtained results show that the electron correlation is more significant in the calculation of the mean and the anisotropy of dipole polarizability.

  10. Resonance-based bonding detection for piezoelectric fiber composites

    Science.gov (United States)

    Wang, Dwo-Wen; Yin, Ching-Chung

    2008-11-01

    A resonance-based method is presented to determine the bonding conditions of piezoelectric fiber composite (PFC) patches attached to host structures. The PFCs are used to be functional materials by applying voltage through the interdigital electrodes symmetrically aligned on opposite surfaces of the composite patches. Interfacial debonds usually degrade the function. Only the edge debonds are taken into account in this paper. A partially debonded patch bears an in-plane extensional vibration if the interdigital electrodes are excited by a sinusoidal voltage. Electric impedance of the PFC patch adhered on an aluminum plate was measured in a broad frequency range to seek the resonant frequencies. The modal characteristics depend on the size of debond, material properties of the PFC, and stiffness of remaining adhesive in front of the edge debond. Extensional vibration of an elastic sheet is characteristic of the resonant frequencies being inversely proportional to the debonding length. The lowest several modes are considered. Experimental results indicate that self-detecting progressive debonding between the PFC patch and the host plate is feasible.

  11. Tunneling readout of hydrogen-bonding based recognition

    OpenAIRE

    Chang, Shuai; He, Jin; Kibel, Ashley; Lee, Myeong; Sankey, Otto; Zhang, Peiming; Lindsay, Stuart

    2009-01-01

    Hydrogen bonding has a ubiquitous role in electron transport1,2 and in molecular recognition, with DNA base-pairing being the best known example.3 Scanning tunneling microscope (STM) images4 and measurements of the decay of tunnel-current as a molecular junction is pulled apart by the STM tip, 5 are sensitive to hydrogen-bonded interactions. Here we show that these tunnel-decay signals can be used to measure the strength of hydrogen bonding in DNA basepairs. Junctions that are held together b...

  12. Hierarchy of bond stiffnesses within icosahedral-based gold clusters protected by thiolates

    Science.gov (United States)

    Yamazoe, Seiji; Takano, Shinjiro; Kurashige, Wataru; Yokoyama, Toshihiko; Nitta, Kiyofumi; Negishi, Yuichi; Tsukuda, Tatsuya

    2016-01-01

    Unique thermal properties of metal clusters are believed to originate from the hierarchy of the bonding. However, an atomic-level understanding of how the bond stiffnesses are affected by the atomic packing of a metal cluster and the interfacial structure with the surrounding environment has not been attained to date. Here we elucidate the hierarchy in the bond stiffness in thiolate-protected, icosahedral-based gold clusters Au25(SC2H4Ph)18, Au38(SC2H4Ph)24 and Au144(SC2H4Ph)60 by analysing Au L3-edge extended X-ray absorption fine structure data. The Au-Au bonds have different stiffnesses depending on their lengths. The long Au-Au bonds, which are more flexible than those in the bulk metal, are located at the icosahedral-based gold core surface. The short Au-Au bonds, which are stiffer than those in the bulk metal, are mainly distributed along the radial direction and form a cyclic structural backbone with the rigid Au-SR oligomers.

  13. Similarity theory based on the Dougherty-Ozmidov length scale

    CERN Document Server

    Grachev, Andrey A; Fairall, Christopher W; Guest, Peter S; Persson, P Ola G

    2014-01-01

    Local similarity theory is suggested based on the Brunt-Vaisala frequency and the dissipation rate of turbulent kinetic energy instead the turbulent fluxes used in the traditional Monin-Obukhov similarity theory. Based on dimensional analysis (Pi theorem), it is shown that any properly scaled statistics of the small-scale turbulence are universal functions of a stability parameter defined as the ratio of a reference height z and the Dougherty-Ozmidov length scale which in the limit of z-less stratification is linearly proportional to the Obukhov length scale. Measurements of atmospheric turbulence made at five levels on a 20-m tower over the Arctic pack ice during the Surface Heat Budget of the Arctic Ocean experiment (SHEBA) are used to examine the behaviour of different similarity functions in the stable boundary layer. It is found that in the framework of this approach the non-dimensional turbulent viscosity is equal to the gradient Richardson number whereas the non-dimensional turbulent thermal diffusivit...

  14. Tunnelling readout of hydrogen-bonding-based recognition.

    Science.gov (United States)

    Chang, Shuai; He, Jin; Kibel, Ashley; Lee, Myeong; Sankey, Otto; Zhang, Peiming; Lindsay, Stuart

    2009-05-01

    Hydrogen bonding has a ubiquitous role in electron transport and in molecular recognition, with DNA base pairing being the best-known example. Scanning tunnelling microscope images and measurements of the decay of tunnel current as a molecular junction is pulled apart by the scanning tunnelling microscope tip are sensitive to hydrogen-bonded interactions. Here, we show that these tunnel-decay signals can be used to measure the strength of hydrogen bonding in DNA base pairs. Junctions that are held together by three hydrogen bonds per base pair (for example, guanine-cytosine interactions) are stiffer than junctions held together by two hydrogen bonds per base pair (for example, adenine-thymine interactions). Similar, but less pronounced effects are observed on the approach of the tunnelling probe, implying that attractive forces that depend on hydrogen bonds also have a role in determining the rise of current. These effects provide new mechanisms for making sensors that transduce a molecular recognition event into an electronic signal. PMID:19421214

  15. Bond graph model-based fault diagnosis of hybrid systems

    CERN Document Server

    Borutzky, Wolfgang

    2015-01-01

    This book presents a bond graph model-based approach to fault diagnosis in mechatronic systems appropriately represented by a hybrid model. The book begins by giving a survey of the fundamentals of fault diagnosis and failure prognosis, then recalls state-of-art developments referring to latest publications, and goes on to discuss various bond graph representations of hybrid system models, equations formulation for switched systems, and simulation of their dynamic behavior. The structured text: • focuses on bond graph model-based fault detection and isolation in hybrid systems; • addresses isolation of multiple parametric faults in hybrid systems; • considers system mode identification; • provides a number of elaborated case studies that consider fault scenarios for switched power electronic systems commonly used in a variety of applications; and • indicates that bond graph modelling can also be used for failure prognosis. In order to facilitate the understanding of fault diagnosis and the presented...

  16. A rule-based algorithm for automatic bond type perception

    OpenAIRE

    Zhang Qian; Zhang Wei; Li Youyong; Wang Junmei; Zhang Liling; Hou Tingjun

    2012-01-01

    Abstract Assigning bond orders is a necessary and essential step for characterizing a chemical structure correctly in force field based simulations. Several methods have been developed to do this. They all have advantages but with limitations too. Here, an automatic algorithm for assigning chemical connectivity and bond order regardless of hydrogen for organic molecules is provided, and only three dimensional coordinates and element identities are needed for our algorithm. The algorithm uses ...

  17. Determination of Fe-ligand bond lengths and the Fe-N-O bond angles in soybean ferrous and ferric nitrosylleghemoglobin a using multiple-scattering XAFS analyses.

    Science.gov (United States)

    Rich, A M; Ellis, P J; Tennant, L; Wright, P E; Armstrong, R S; Lay, P A

    1999-12-14

    The NO adducts of leghemoglobin (Lb) are implicated in biological processes, but only the adduct with ferrous Lb (Lb(II)NO) has been characterized previously. We report the first characterization of ferric nitrosylleghemoglobin (Lb(III)NO) and XAS experiments performed on frozen aqueous solutions of Lb(II)NO and Lb(III)NO at 10 K. The XANES and electronic spectra of the NO adducts are similar in shape and energies to the myoglobin (Mb) analogues. The environment of the Fe atom has been refined using multiple-scattering (MS) analyses of the XAFS data. For Lb(II)NO, the MS analysis resulted in an averaged Fe-N(p)(pyrrole) distance of 2.02 A, an Fe-N(epsilon)(imidazole) distance of 1.98 A, an Fe-N(NO) distance of 1.77 A, and an Fe-N-O angle of 147 degrees. The Fe-N(NO) distance and Fe-N-O angle obtained from the analysis of Lb(II)NO are in good agreement with those determined crystallographically for [Fe(TPP)(NO)] (TPP, tetraphenylporphyrinato), with and without 1-methylimidazole (1-MeIm) as the sixth ligand, and the MS XAFS structures reported previously for the myoglobin (Mb(II)NO) analogue and [Fe(TPP)(NO)]. The MS analysis of Lb(III)NO yielded an average Fe-N(p) distance of 2.00 A, an Fe-N(epsilon) distance of 1.89 A, an Fe-N(NO) distance of 1.68 A, and an Fe-N-O angle of 173 degrees. These bond lengths and angles are consistent with those determined previously for the myoglobin analogue (Mb(III)NO) and the crystal structures of the model complexes, [Fe(III)(TPP)(NO)(OH(2))](+) and [Fe(OEP)(NO)](+) (OEP, octaethylporphyrinato). The final XAFS R values were 16.1 and 18.2% for Lb(II)NO and Lb(III)NO, respectively. PMID:10600110

  18. Bonding and Integration Technologies for Silicon Carbide Based Injector Components

    Science.gov (United States)

    Halbig, Michael C.; Singh, Mrityunjay

    2008-01-01

    Advanced ceramic bonding and integration technologies play a critical role in the fabrication and application of silicon carbide based components for a number of aerospace and ground based applications. One such application is a lean direct injector for a turbine engine to achieve low NOx emissions. Ceramic to ceramic diffusion bonding and ceramic to metal brazing technologies are being developed for this injector application. For the diffusion bonding, titanium interlayers (PVD and foils) were used to aid in the joining of silicon carbide (SiC) substrates. The influence of such variables as surface finish, interlayer thickness (10, 20, and 50 microns), processing time and temperature, and cooling rates were investigated. Microprobe analysis was used to identify the phases in the bonded region. For bonds that were not fully reacted an intermediate phase, Ti5Si3Cx, formed that is thermally incompatible in its thermal expansion and caused thermal stresses and cracking during the processing cool-down. Thinner titanium interlayers and/or longer processing times resulted in stable and compatible phases that did not contribute to microcracking and resulted in an optimized microstructure. Tensile tests on the joined materials resulted in strengths of 13-28 MPa depending on the SiC substrate material. Non-destructive evaluation using ultrasonic immersion showed well formed bonds. For the joining technology of brazing Kovar fuel tubes to silicon carbide, preliminary development of the joining approach has begun. Various technical issues and requirements for the injector application are addressed.

  19. A planar parallel manipulator based novel MEMS device bonding system

    Institute of Scientific and Technical Information of China (English)

    Ji Junhong; Sun Lining; Zhu Yuhong

    2006-01-01

    A novel MEMS device boning system is presented. Aiming at the high velocity, high precision and high flexibility requirements, a novel manipulator of planar parallel structure is developed to substitute ordinary X-Y table. In addition, the machine vision is implemented to improve the system's flexibility. The initial angular positions of the joints are estimated by the extended Kalman filter algorithm. As a result, the manipulator's absolute locating accuracy in its workspace is guaranteed indirectly. For any MEMS device, the bonding system itself can be used as measurement equipment to create the device's geometry model, which is the base to do off-line programming. A quite ideal trade-off between the system's flexibility and efficiency is got. Finally, some verified motion specification of the manipulator, the bonding experimental results and the verified qualities of the bonded devices are provided.

  20. Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2[double bond, length as m-dash]NH, CO2 and H2.

    Science.gov (United States)

    Nhlabatsi, Zanele P; Bhasi, Priya; Sitha, Sanyasi

    2016-07-27

    Glycine being the simplest amino acid and also having significant astrobiological implications, has meant that intensive investigations have been carried out in the past, starting from its detection in the interstellar medium (ISM) to analysis of meteorites and cometary samples and laboratory synthesis, as well as computational studies on the possible reaction paths. In this present work quantum chemical calculations have been performed to investigate the possible interstellar formation of glycine via two different paths; (1) in a two-step process via a dihydroxy carbene intermediate and (2) through a one-step concerted mechanism, starting from reactants like CH2[double bond, length as m-dash]NH, CO, CO2, H2O and H2. For the two reactions representing the carbene route, it was observed that the formation of dihydroxy carbene from either CO + H2O or CO2 + H2 is highly endothermic with large barrier heights, whereas the subsequent step of interaction of this carbene with CH2[double bond, length as m-dash]NH to give glycine is exothermic and the barrier is below the reactants. Based on this observation it is suggested that the formation of glycine via the carbene route is a least favourable or even unfavourable path. On the other hand, the two reactions CH2[double bond, length as m-dash]NH + CO + H2O and CH2[double bond, length as m-dash]NH + CO2 + H2 representing the concerted paths were found to be favourable in leading to the formation of glycine. After an extensive study on the first concerted reaction in our previous work (Phys. Chem. Chem. Phys., 2016, 18, 375-381), in this work a detailed investigation has been carried out for the second concerted reaction, CH2[double bond, length as m-dash]NH + CO2 + H2, which can possibly lead to the interstellar formation of glycine. It was observed that this reaction proceeds through a large barrier and at the same time the transition state shows prominent hydrogen dynamics, indicating a tunnelling possibility for this

  1. Modelling of Ion Transport in Solids with a General Bond Valence Based Force-Field

    Directory of Open Access Journals (Sweden)

    S. Adams

    2010-12-01

    Full Text Available Empirical bond length - bond valence relations provide insight into the link between structure of and ion transport in solid electrolytes. Building on our earlier systematic adjustment of bond valence (BV parameters to the bond softness, here we discuss how the squared BV mismatch can be linked to the absolute energy scale and used as a general Morse-type interaction potential for analyzing low-energy pathways in ion conducting solid or mixed conductors either by an energy landscape approach or by molecular dynamics (MD simulations. For a wide range of Lithium oxides we could thus model ion transport revealing significant differences to an earlier geometric approach. Our novel BV-based force-field has also been applied to investigate a range of mixed conductors, focusing on cathode materials for lithium ion battery (LIB applications to promote a systematic design of LIB cathodes that combine high energy density with high power density. To demonstrate the versatility of the new BV-based force-field it is applied in exploring various strategies to enhance the power performance of safe low cost LIB materials (LiFePO4, LiVPO4F, LiFeSO4F, etc..

  2. PMMA to Polystyrene bonding for polymer based microfluidic systems

    KAUST Repository

    Fan, Yiqiang

    2013-03-29

    A thermal bonding technique for Poly (methylmethacrylate) (PMMA) to Polystyrene (PS) is presented in this paper. The PMMA to PS bonding was achieved using a thermocompression method, and the bonding strength was carefully characterized. The bonding temperature ranged from 110 to 125 C with a varying compression force, from 700 to 1,000 N (0.36-0.51 MPa). After the bonding process, two kinds of adhesion quantification methods were used to measure the bonding strength: the double cantilever beam method and the tensile stress method. The results show that the bonding strength increases with a rising bonding temperature and bonding force. The results also indicate that the bonding strength is independent of bonding time. A deep-UV surface treatment method was also provided in this paper to lower the bonding temperature and compression force. Finally, a PMMA to PS bonded microfluidic device was fabricated successfully. © 2013 Springer-Verlag Berlin Heidelberg.

  3. Government bond market integration and the EMU: Correlation based evidence

    OpenAIRE

    Missio, Sebastian

    2012-01-01

    In July 1990, the project of the European Monetary Union (EMU) started and finally led to the introduction of the Euro in January 1999. This paper analyses the development of the government bond market integration during the three stages of the EMU. Based on the results from dynamic conditional correlation (DCC) models, the study shows that the integration process was highly advanced but not completed at any point in time and that the degree of integration differentiated between geographical ...

  4. Precision and Accuracy Testing of FMCW Ladar Based Length Metrology

    CERN Document Server

    Mateo, Ana Baselga

    2015-01-01

    The calibration and traceability of high resolution frequency modulated continuous wave (FMCW) ladar sources is a requirement for their use in length and volume metrology. We report the calibration of a FMCW ladar length measurement system by use of spectroscopy of molecular frequency references HCN (C-band) or CO (L-band) to calibrate the chirp rate of the FMCW source. Propagating the stated uncertainties from the molecular calibrations provided by NIST and measurement errors provides an estimated uncertainty of a few ppm for the FMCW system. As a test of this calibration, a displacement measurement interferometer with a laser wavelength close to that of our FMCW system was built to make comparisons of the relative precision and accuracy. The comparisons performed show ppm agreement which is within the combined estimated uncertainties of the FMCW system and interferometer.

  5. DNA origami-based nanoribbons: assembly, length distribution, and twist

    Energy Technology Data Exchange (ETDEWEB)

    Jungmann, Ralf; Scheible, Max; Kuzyk, Anton; Pardatscher, Guenther; Simmel, Friedrich C [Lehrstuhl fuer Bioelektronik, Physik-Department and ZNN/WSI, Technische Universitaet Muenchen, Am Coulombwall 4a, 85748 Garching (Germany); Castro, Carlos E, E-mail: simmel@ph.tum.de [Labor fuer Biomolekulare Nanotechnologie, Physik-Department and ZNN/WSI, Technische Universitaet Muenchen, Am Coulombwall 4a, 85748 Garching (Germany)

    2011-07-08

    A variety of polymerization methods for the assembly of elongated nanoribbons from rectangular DNA origami structures are investigated. The most efficient method utilizes single-stranded DNA oligonucleotides to bridge an intermolecular scaffold seam between origami monomers. This approach allows the fabrication of origami ribbons with lengths of several micrometers, which can be used for long-range ordered arrangement of proteins. It is quantitatively shown that the length distribution of origami ribbons obtained with this technique follows the theoretical prediction for a simple linear polymerization reaction. The design of flat single layer origami structures with constant crossover spacing inevitably results in local underwinding of the DNA helix, which leads to a global twist of the origami structures that also translates to the nanoribbons.

  6. New Statistical Randomness Tests Based on Length of Runs

    Directory of Open Access Journals (Sweden)

    Ali Doğanaksoy

    2015-01-01

    Full Text Available Random sequences and random numbers constitute a necessary part of cryptography. Many cryptographic protocols depend on random values. Randomness is measured by statistical tests and hence security evaluation of a cryptographic algorithm deeply depends on statistical randomness tests. In this work we focus on statistical distributions of runs of lengths one, two, and three. Using these distributions we state three new statistical randomness tests. New tests use χ2 distribution and, therefore, exact values of probabilities are needed. Probabilities associated runs of lengths one, two, and three are stated. Corresponding probabilities are divided into five subintervals of equal probabilities. Accordingly, three new statistical tests are defined and pseudocodes for these new statistical tests are given. New statistical tests are designed to detect the deviations in the number of runs of various lengths from a random sequence. Together with some other statistical tests, we analyse our tests’ results on outputs of well-known encryption algorithms and on binary expansions of e, π, and 2. Experimental results show the performance and sensitivity of our tests.

  7. Vector-based model of elastic bonds for DEM simulation of solids

    CERN Document Server

    Kuzkin, Vitaly A

    2012-01-01

    A new model for computer simulation of solids, composed of bonded particles, is proposed. Vectors rigidly connected with particles are used for description of deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and moments are proposed. Formulas, connecting parameters of the model with longitudinal, shear, bending and torsional stiffnesses of the bond, are derived. It is shown that the model allows to describe any values of the bond stiffnesses exactly. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of model can be chosen so that under small deformations the bond is equivalent to either Bernoulli-Euler or Timoshenko rod or short cylinder connecting particles. Simple expressions, connecting parameters of V-model with geometrical and mechanical characteristics of the bond, are derived. Computer simulation of dynamical buckling of the straight discrete rod and discrete half-...

  8. Comparison of the shear bond strengths of conventional mesh bases and sandblasted orthodontic bracket bases

    Directory of Open Access Journals (Sweden)

    Isabel Cristina Prado Torres Lugato

    2009-12-01

    Full Text Available This study aimed to compare in vitro the shear bond strength between metallic brackets (Abzil with conventional mesh bases and metallic brackets with bases industrially sandblasted with aluminum oxide using three adhesive systems, in order to assess the influence of sandblasting on adhesiveness and to compare 3 different bonding systems. Two hundred and forty bovine incisors were used and randomly divided into 6 groups (40 teeth in each group, according to the bracket base and to the bonding system. The brackets were direct-bonded in bovine teeth with 3 adhesive systems: System A - conventional TransbondTM XT (3M - Unitek; System B - TransbondTM Plus Self Etching Primer + TransbondTM XT (3M - Unitek and System C - Fuji ORTHO LC resin-reinforced glass ionomer cement in capsules (GC Corp.. Shear bond strength tests were performed 24 hours after bonding, in a DL-3000 universal testing machine (EMIC, using a load cell of 200 kgf and a speed of 1 mm/min. The results were submitted to statistical analysis and showed no significant difference between conventional and sandblasted bracket bases. However, comparison between the bonding systems presented significantly different results. System A (14.92 MPa and system C (13.24 MPa presented statistically greater shear bond strength when compared to system B (10.66 MPa. There was no statistically significant difference between system A and system C.

  9. Laser assisted and hermetic room temperature bonding based on direct bonding technology

    Science.gov (United States)

    Haneveld, Jeroen; Tijssen, Peter; Oonk, Johannes; Olde Riekerink, Mark; Tigelaar, Hildebrand; van't Oever, Ronny; Blom, Marko

    2014-03-01

    A novel method for laser assisted room temperature bonding of two substrates is presented. The method enables the packaging of delicate (bio)structures and/or finished (MEMS) devices, as there is no need for a high temperature annealing process. This also allows the bonding of two substrates with non-matching thermal expansion coefficients. The basis of the presented technology is the ability to create a direct pre-bond between two substrates. These can be two glass substrates, of which one has a thin film metal coating (e.g. Cr. Ti, Ta, Au…), or a silicon-glass combination. After (aligned) pre-bonding of the two wafers, a laser (e.g. a Nd:YAG laser) is used to form a permanent bond line on the bond interface, using the metal layer as a light absorber (or the silicon, in the case of a glass-silicon combination). The permanent bond line width is in the order of 10-50μm. The use of a laser to form the permanent bond ensures a hermetic sealing of the total package; a distinctive advantage over other, more conventional methods of room temperature bonding (e.g. adhesive bonding). He-leak testing showed leak rates in the order of 10-9 mbar l/s. This meets the failure criteria of the MIL-STD-883H standard of 5x10-8 mbar l/s. An added functionality of the proposed method is the possibility to create electrical circuitry on the bond interface, using the laser to modify the metal interlayer, rendering it electrically non-conductive. Biocompatible packages are also possible, by choosing the appropriate interlayer material. This would allow for the fabrication of implantable packages.

  10. Comparative evaluation of shear bond strengths of veneering porcelain to base metal alloy and zirconia substructures before and after aging – An in vitro study

    OpenAIRE

    Sreekala, Laju; Narayanan, Mahesh; Eerali, Sunil M.; Eerali, Susil M.; Varghese, Joju; Zainaba Fathima, A. l.

    2015-01-01

    Objective: The aim of this study was to evaluate and compare the shear bond strength of veneering porcelain to base metal alloy and zirconia substructures before and after aging. Scanning electron microscopy (SEM) was used to determine the failure pattern. Materials and Methods: Twenty rectangular blocks (9 mm length × 4 mm height × 4 mm width) of base metal alloy (Bellabond plus, Bego, Germany) and zirconia (Will ceramZ zirconia K block) were fabricated for shear bond strength test. Surface ...

  11. Vector-based model of elastic bonds for simulation of granular solids

    Science.gov (United States)

    Kuzkin, Vitaly A.; Asonov, Igor E.

    2012-11-01

    A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given.

  12. Amperometric biosensor based on glassy carbon electrode modified with long-length carbon nanotube and enzyme

    Science.gov (United States)

    Furutaka, Hajime; Nemoto, Kentaro; Inoue, Yuki; Hidaka, Hiroki; Muguruma, Hitoshi; Inoue, Hitoshi; Ohsawa, Tatsuya

    2016-05-01

    An amperometric biosensor based on a glassy carbon electrode modified with long-length multiwalled carbon nanotubes (MWCNTs) and enzyme nicotinamide-adenine-dinucleotide-dependent glucose dehydrogenase (GDH) is presented. We demonstrate the effect of the MWCNT length on the amperometric response of the enzyme biosensor. The long length of MWCNT is 200 µm (average), whereas the normal length of MWCNT is 1 µm (average). The response of the long MWCNT–GDH electrode is 2 times more sensitive than that of the normal-length MWCNT–GDH electrode in the concentration range from 0.25–35 mM. The result of electrochemical impedance spectroscopy measurements suggest that the long-length MWCNT–GDH electrode formed a better electron transfer network than the normal-length one.

  13. Dynamic Allan Variance Analysis Method with Time-Variant Window Length Based on Fuzzy Control

    OpenAIRE

    Shanshan Gu; Jianye Liu; Qinghua Zeng; Shaojun Feng; Pin Lv

    2015-01-01

    To solve the problem that dynamic Allan variance (DAVAR) with fixed length of window cannot meet the identification accuracy requirement of fiber optic gyro (FOG) signal over all time domains, a dynamic Allan variance analysis method with time-variant window length based on fuzzy control is proposed. According to the characteristic of FOG signal, a fuzzy controller with the inputs of the first and second derivatives of FOG signal is designed to estimate the window length of the DAVAR. Then th...

  14. Laser-Based Hot-Melt Bonding of Thermosetting GFRP

    Science.gov (United States)

    Amend, P.; Pillach, B.; Frick, T.; Schmidt, M.

    In the future the use of tailored multi-material components will increase because of lightweight constructions. However for an optimal integration of different materials suitable joining techniques are necessary. This paper presents results of joining thermosetting composites to thermoplastics by means of laser-based hot-melt bonding. First the joining process of glass fiber reinforced plastics (GFRP) to thermoplastics is analyzed with regard to appropriate material selection of the thermoplastic joining partner. Then experiments are performed to join two thermosetting GFRP composites using a thermoplastic interlayer. All joined specimens are characterized by tensile shear tests whereby the influences of the used peel ply and the thermoplastic joining partner on the tensile shear strength are analyzed. Finally climate tests are performed to investigate the long-term durability of the joint connections.

  15. Towards a unified description of the hydrogen bond network of liquid water: A dynamics based approach

    International Nuclear Information System (INIS)

    The definition of a hydrogen bond (H-bond) is intimately related to the topological and dynamic properties of the hydrogen bond network within liquid water. The development of a universal H-bond definition for water is an active area of research as it would remove many ambiguities in the network properties that derive from the fixed definition employed to assign whether a water dimer is hydrogen bonded. This work investigates the impact that an electronic-structure based definition, an energetic, and a geometric definition of the H-bond has upon both topological and dynamic network behavior of simulated water. In each definition, the use of a cutoff (either geometric or energetic) to assign the presence of a H-bond leads to the formation of transiently bonded or broken dimers, which have been quantified within the simulation data. The relative concentration of transient species, and their duration, results in two of the three definitions sharing similarities in either topological or dynamic features (H-bond distribution, H-bond lifetime, etc.), however no two definitions exhibit similar behavior for both classes of network properties. In fact, two networks with similar local network topology (as indicated by similar average H-bonds) can have dramatically different global network topology (as indicated by the defect state distributions) and altered H-bond lifetimes. A dynamics based correction scheme is then used to remove artificially transient H-bonds and to repair artificially broken bonds within the network such that the corrected network exhibits the same structural and dynamic properties for two H-bond definitions (the properties of the third definition being significantly improved). The algorithm described represents a significant step forward in the development of a unified hydrogen bond network whose properties are independent of the original hydrogen bond definition that is employed

  16. An in vitro study to evaluate the effect of two ethanol-based and two acetone-based dental bonding agents on the bond strength of composite to enamel treated with 10% carbamide peroxide

    Directory of Open Access Journals (Sweden)

    Deepa Basavaraj Benni

    2014-01-01

    Full Text Available Background and Objective: Carbamide peroxide bleaching has been implicated in adversely affecting the bond strength of composite to enamel. The objective of this in vitro study was to evaluate the effect of ethanol-based (Clearfil S 3 bond, Kuraray, Adper Single bond 2, 3M ESPE dental products and acetone-based (Prime and Bond NT, Dentsply, One Step, Bisco bonding agents on the shear bond strength of composite to enamel treated with 10% carbamide peroxide bleaching agent. Materials and Methods: A total of 120 extracted human noncarious permanent incisors were randomly divided into two groups (control and experimental. Experimental group specimens were subjected to a bleaching regimen with a 10% carbamide peroxide bleaching system (Opalescence; Ultradent Products Inc, South Jordan, USA. Composite resin cylinders were bonded to the specimens using four bonding agents and shear bond strength was determined with universal testing machine. Results: There was no statistically significant difference in the shear bond strength between control and experimental groups with both ethanol-based (Clearfil S 3 Bond and Adper Single Bond 2 and acetone-based bonding agent (Prime and Bond NT and One Step. Interpretation and Conclusion: The adverse effect of bleaching on bonding composite to enamel can be reduced or eliminated by using either ethanol- or acetone-based bonding agent. Clinical Significances: Immediate bonding following bleaching procedure can be done using ethanol- or acetone-based bonding agent without compromising bond strength.

  17. Factors affecting the bond strength of denture base and reline acrylic resins to base metal materials

    Directory of Open Access Journals (Sweden)

    Naomi Tanoue

    2013-07-01

    Full Text Available OBJECTIVE: The shear bond strengths of two hard chairside reline resin materials and an auto-polymerizing denture base resin material to cast Ti and a Co-Cr alloy treated using four conditioning methods were investigated. MATERIAL AND METHODS: Disk specimens (diameter 10 mm and thickness 2.5 mm were cast from pure Ti and Co-Cr alloy. The specimens were wet-ground to a final surface finish of 600 grit, air-dried, and treated with the following bonding systems: 1 air-abraded with 50-70-µm grain alumina (CON; 2 1 + conditioned with a primer, including an acidic phosphonoacetate monomer (MHPA; 3 1 + conditioned with a primer including a diphosphate monomer (MDP; 4 treated with a tribochemical system. Three resin materials were applied to each metal specimen. Shear bond strengths were determined before and after 10,000 thermocycles. RESULTS: The strengths decreased after thermocycling for all combinations. Among the resin materials assessed, the denture base material showed significantly (p<0.05 greater shear bond strengths than the two reline materials, except for the CON condition. After 10,000 thermocycles, the bond strengths of two reline materials decreased to less than 10 MPa for both metals. The bond strengths of the denture base material with MDP were sufficient: 34.56 MPa for cast Ti and 38.30 for Co-Cr alloy. CONCLUSION: Bonding of reline resin materials to metals assessed was clinically insufficient, regardless of metal type, surface treatment, and resin composition. For the relining of metal denture frameworks, a denture base material should be used.

  18. Wafer-level packaging and direct interconnection technology based on hybrid bonding and through silicon vias

    International Nuclear Information System (INIS)

    The presented wafer-level packaging technology enables the direct integration of electrical interconnects during low-temperature wafer bonding of a cap substrate featuring through silicon vias (TSVs) onto a MEMS device wafer. The hybrid bonding process is based on hydrophilic direct bonding of plasma-activated Si/SiO2 surfaces and the simultaneous interconnection of the device metallization layers with Cu TSVs by transient liquid phase (TLP) bonding of ultra-thin AuSn connects. The direct bond enables precise geometry definition between device and cap substrate, whereas the TLP bonding does not require a planarization of the interconnect metallization before bonding. The complete process flow is successfully validated and the fabricated devices' characterization evidenced ohmic interconnects without interfacial voids in the TLP bond

  19. Sequence-Length Requirement of Distance-Based Phylogeny Reconstruction: Breaking the Polynomial Barrier

    CERN Document Server

    Roch, Sebastien

    2009-01-01

    We introduce a new distance-based phylogeny reconstruction technique which provably achieves, at sufficiently short branch lengths, a polylogarithmic sequence-length requirement -- improving significantly over previous polynomial bounds for distance-based methods. The technique is based on an averaging procedure that implicitly reconstructs ancestral sequences. In the same token, we extend previous results on phase transitions in phylogeny reconstruction to general time-reversible models. More precisely, we show that in the so-called Kesten-Stigum zone (roughly, a region of the parameter space where ancestral sequences are well approximated by ``linear combinations'' of the observed sequences) sequences of length $\\poly(\\log n)$ suffice for reconstruction when branch lengths are discretized. Here $n$ is the number of extant species. Our results challenge, to some extent, the conventional wisdom that estimates of evolutionary distances alone carry significantly less information about phylogenies than full sequ...

  20. Chemical bonding and electronic structure of fullerene-based compounds

    International Nuclear Information System (INIS)

    This talk will focus on the nature of bonding of fullerenes with other materials as demonstrated by synchrotron radiation and x-ray photoemission. Adsorption of C60 on metallic and semiconducting substrates occurs via charge transfer from the substrate to a LUMO-derived resonance, resulting in Fermi level alignment and dipole formation. Bonding of metal atoms to C60 depends on the metal work function and bulk cohesive energy. Evaporation of high cohesive energy materials onto a fullerene substrate results in metal cluster nucleation and limited C60 disruption for transition metals. Low cohesive energy metals form compounds with a degree of ionic character related to the metal work function. Photoemission results show the formation of ionic K-fulleride compounds while greater hybridization is observed for Ca-rich fullerides. Finally the electronic structure of fluorinated and hydrogenated fullerenes demonstrate changes in states derived from C60 π bonds due to reaction of dangling bonds

  1. QM/MM Simulation of the Hydrogen Bond Dynamics of an Adenine:Uracil Base Pair in Solution. Geometric Correlations and Infrared Spectrum

    CERN Document Server

    Yan, Yun-an

    2009-01-01

    Hybrid QM(DFT)/MM molecular dynamics simulations have been carried out for the Watson-Crick base pair of 9-ethyl-8-phenyladenine and 1-cyclohexyluracil in deuterochloroform solution at room temperature. Trajectories are analyzed putting special attention to the geometric correlations of the $\\NHN$ and $\\NHO$ hydrogen bonds in the base pair. Further, based on empirical correlations between the hydrogen bond bond length and the fundamental NH stretching frequency its fluctuations are obtained along the trajectory. Using the time dependent frequencies the infrared lineshape is determined assuming the validity of a second order cumulant expansion. The deviations for the fundamental transition frequencies are calculated to amount to less than 2% as compared with experiment. The width of the spectrum for the $\\NHN$ bond is in reasonable agreement with experiment while that for the $\\NHO$ case is underestimated by the present model. Comparing the performance of different pseudopotentials it is found that the Troulli...

  2. Intensity dependence of the minority-carrier difusion length in amorphous silicon based alloys

    Science.gov (United States)

    Hack, M.; Shur, M.

    1984-04-01

    Many of the recent measurements of the minority-carrier diffusion length (Lp) in amorphous silicon based alloys have been based on a utilization of the surface photovoltage (SPV). In this case an equation relating photon flux and Lp under ideal conditions has to be modified because of the back diffusion of carriers and the effects of high field regions. To account for the high field region, the 'aparent' diffusion length has been determined for varying intensities of bias light. In the present investigation, a theoretical analysis shows that the zero field diffusion length is indeed intensity dependent and that this dependence can be directly related to the slope of the density of states near the valence band edge. The intensity dependence of the minority carrier diffusion length and the energy slope of the density of states near the valence band edge are obtained on the basis of experimental results.

  3. The properties of mesoporous silica nanoparticles functionalized with different PEG-chain length via the disulfide bond linker and drug release in glutathione medium.

    Science.gov (United States)

    Xie, Zhifei; Gong, Huameng; Liu, Mingxing; Zhu, Hongda; Sun, Honghao

    2016-01-01

    In this paper, a novel drug-loaded material (MSNs-SS-PEG) was obtained by grafting the thiol-linked methoxy polyethylene glycol (MeOPEG-SH) onto the thiol-functionalized mesoporous silica nanoparticles (MSNs-SH) via the disulfide bond linker. In our designed experiment, three different chain lengths of PEG (PEG(1000), PEG(5000), and PEG(1000)-PEG(5000)) were used. The silica materials were characterized by Fourier transform infrared spectroscopy (FT-IR), dynamic light scattering, field emission scanning electron microscopy, transmission electron microscopy, nitrogen adsorption-desorption measurements, and X-ray diffraction. The morphology of the MSNs-SS-PEG was spherical with an average diameter of about 150 nm. Due to the covalent modification of hydrophilic MeOPEG, the MSNs-SS-PEG was coated by a thin polymer shell, showing stable and inerratic MCM-41 type mesoporous structure as well as high specific surface areas and large pore volumes. Moreover, the releases of doxorubicin hydrochloride (DOX) from these materials at 10 mM of glutathione were investigated. The PEG functionalization could effectively cap drugs in the mesoporous channels. The release of DOX from the MSNs-SS-PEG(n) revealed redox-responsive characteristic. The obtained results showed that the MSNs-SS-PEG might be promising drug delivery carrier materials, which could play an important role in the development of drug delivery. PMID:26540096

  4. Pilot-scale base hydrolysis processing of HMX-based plastic-bonded explosives

    Energy Technology Data Exchange (ETDEWEB)

    Flesner, R.L.; Dell`Orco, P.C.; Spontarelli, T.; Bishop, R.L.; Skidmore, C.B.; Uher, K.; Kramer, J.F.

    1997-10-01

    Los Alamos National Laboratory has demonstrated that many energetic materials can be rendered non-energetic via reaction with sodium hydroxide or ammonia. This process is known as base hydrolysis. A pilot scale reactor has been developed to process up to 20 kg of plastic bonded explosive in a single batch operation. In this report, we discuss the design and operation of the pilot scale reactor for the processing of PBX 9404, a standard Department of Energy plastic bonded explosive containing HMX and nitrocellulose. Products from base hydrolysis, although non-energetic, still require additional processing before release to the environment. Decomposition products, destruction efficiencies, and rates of reaction for base hydrolysis will be presented. Hydrothermal processing, previously known as supercritical water oxidation, has been proposed for converting organic products from hydrolysis to carbon dioxide, nitrogen, and nitrous oxide. Base hydrolysis in combination with hydrothermal processing may yield a viable alternative to open burning/open detonation for destruction of many energetic materials.

  5. A New Method of Camera Self-calibration Based on Relative Lengths

    Directory of Open Access Journals (Sweden)

    Mingzhang Chen

    2012-01-01

    Full Text Available A new camera self-calibration approach is presented by considering the relative lengths of the scene. There exists a homographic matrix whose elements partly depend on the intrinsic parameters to upgrade the projective reconstruction to the metric one. Relative length is an invariant property of the similarity transformation. An error function according to the invariance of relative lengths is formulated. Hence, camera calibration and 3D structure recovery can be achieved by minimizing the error function. For the homographic matrix is uniquely determined by every views of the scene, the proposed method can effectively deal with the case with varying intrinsic parameters of camera. In addition, the complete 3D recover procedures based on relative lengths are put forth. An experiment is implemented to demonstrate the validity and the performance of the presented approach. The results show that it is accurate and the accuracy of the proposed method is obviously improved compared with the Bougnouxs methods.

  6. The origin of unequal bond lengths in the $\\mathrm{\\tilde{C}}$ $^1$B$_2$ state of SO$_2$: Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure

    CERN Document Server

    Park, G Barratt; Field, Robert W

    2016-01-01

    The $\\mathrm{\\tilde{C}}$ $^1$B$_2$ state of SO$_2$ has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the $\

  7. Synthesis of photoresponsive cholesterol-based azobenzene organogels: dependence on different spacer lengths.

    Science.gov (United States)

    Ren, Yuchun; Wang, Bin; Zhang, Xiuqing

    2015-01-01

    A series of azobenzene-cholesterol organogel compounds (M 0 -M 12 ) with different spacers were designed and synthesized. The molecular structures were confirmed by (1)H NMR and (13)C NMR spectroscopy. The rapid and reversible photoresponsive properties of the compounds were investigated by UV-vis spectroscopy. Their thermal phase behaviors were studied by DSC. The length of the spacer plays a crucial role in the gelation. Compound M 6 is the only one that can gelate in ethanol, isopropanol and 1-butanol and the reversible gel-sol transitions are also investigated. To obtain visual insight into the microstructure of the gels, the typical structures of the xerogels were studied by SEM. Morphologies of the aggregates change from flower-like, network and rod with different sizes. By using IR and XRD characterization, it is found that intermolecular H-bonding, the solvents and van der Waals interaction are the main contributions to the specific superstructure. PMID:26199664

  8. In-vitro comparison of the effect of different bonding strategies on the micro-shear bond strength of a silorane-based composite resin to dentin

    Science.gov (United States)

    Samimi, Pouran; Alizadeh, Vahid; Fathpour, Kamyar; Mazaheri, Hamid; Mortazavi, Vajihosadat

    2016-01-01

    Background: The current study evaluated the micro-shear bond strengths of a new low-shrinkage composite resin to dentin. Materials and Methods: In this in-vitro study, 70 extracted premolars were assigned to one of seven groups (n = 10): Group 1: OptiBond Solo Plus (Opt; Kerr); Group 2: SE Bond (SE; Kuraray); Group 3: Silorane System Adhesive (SSA; 3M ESPE); Group 4: OptiBond Solo Plus + LS Bond (Opt LS); Group 5: SE Bond + LS Bond (SE LS); Group 6: OptiBond Solo Plus (Opt Po); and Group 7: SE Bond (SE Po). Occlusal dentin was exposed and restored with Filtek LS (3M ESPE) in groups 1 to 5 and Point 4 (Kerr) in groups 6 and 7. After thermocycling (1000 cycles at 5/55΀C), micro-shear bond test was carried out to measure the bond strengths. The results were submitted to analysis of variance and post hoc Tukeytests (P < 0.05). Results: Two-way ANOVA showed no significant differences between the two types of composite resin (P = 0.187), between bonding agents (P = 0.06) and between composite resin and bonding agents (P = 0.894). Because P value of bonding agents was near the significance level, one-way ANOVA was used separately between the two composite groups. This analysis showed significant differences between silorane composite resin groups (P = 0.045) and Tukey test showed a significant difference between Groups 4 and 5 (P = 0.03). Conclusion: The application of total-etch and self-etch methacrylate-based adhesives with and without use of a hydrophobic resin coating resulted in acceptable bond strengths. PMID:27076826

  9. Block-Run Run-Length Coding of Handwriting and Bilevel Graphics Based on Quadtree Segmentation

    OpenAIRE

    Yuen, H; Hanzo, L.

    1997-01-01

    An efficient off-line coding scheme for handwriting and bilevel graphics based on quadtree segmentation and block-run run-length coding (RLC) is presented. By segmenting a captured handwriting or graphic image into variable size blocks according to the image activity inside the blocks and run-length coding on a block-run basis, the new scheme is able to achieve higher coding efficiency than the conventional one-dimensional RLC and its bit rate is close to that of on-line dynamographical chain...

  10. Bond strength of resin cements to noble and base metal alloys with different surface treatments.

    Directory of Open Access Journals (Sweden)

    Farkhondeh Raeisosadat

    2014-10-01

    Full Text Available The bond strength of resin cements to metal alloys depends on the type of the metal, conditioning methods and the adhesive resins used. The purpose of this study was to evaluate the bond strength of resin cements to base and noble metal alloys after sand blasting or application of silano-pen.Cylinders of light cured Z 250 composite were cemented to "Degubond 4" (Au Pd and "Verabond" (Ni Cr alloys by either RelyX Unicem or Panavia F2, after sandblasting or treating the alloys with Silano-Pen. The shear bond strengths were evaluated. Data were analyzed by three-way ANOVA and t tests at a significance level of P<0.05.When the alloys were treated by Silano-Pen, RelyX Unicem showed a higher bond strength for Degubond 4 (P=0.021 and Verabond (P< 0.001. No significant difference was observed in the bond strength of Panavia F2 to the alloys after either of surface treatments, Degubond 4 (P=0.291 and Verabond (P=0.899. Panavia F2 showed a higher bond strength to sandblasted Verabond compared to RelyX Unicem (P=0.003. The bond strength of RelyX Unicem was significantly higher to Silano-Pen treated Verabond (P=0.011. The bond strength of the cements to sandblasted Degubond 4 showed no significant difference (P=0.59. RelyX Unicem had a higher bond strength to Silano-Pen treated Degubond 4 (P=0.035.The bond strength of resin cements to Verabond alloy was significantly higher than Degubond 4. RelyX Unicem had a higher bond strength to Silano-Pen treated alloys. Surface treatments of the alloys did not affect the bond strength of Panavia F2.

  11. A Series of Diamagnetic Pyridine Monoimine Rhenium Complexes with Different Degrees of Metal-to-Ligand Charge Transfer: Correlating (13) C NMR Chemical Shifts with Bond Lengths in Redox-Active Ligands.

    Science.gov (United States)

    Sieh, Daniel; Kubiak, Clifford P

    2016-07-18

    A set of pyridine monoimine (PMI) rhenium(I) tricarbonyl chlorido complexes with substituents of different steric and electronic properties was synthesized and fully characterized. Spectroscopic (NMR and IR) and single-crystal X-ray diffraction analyses of these complexes showed that the redox-active PMI ligands are neutral and that the overall electronic structure is little affected by the choices of the substituent at the ligand backbone. One- and two-electron reduction products were prepared from selected starting compounds and could also be characterized by multiple spectroscopic methods and X-ray diffraction. The final product of a one-electron reduction in THF is a diamagnetic metal-metal-bonded dimer after loss of the chlorido ligand. Bond lengths in and NMR chemical shifts of the PMI ligand backbone indicate partial electron transfer to the ligand. Two-electron reduction in THF also leads to the loss of the chlorido ligand and a pentacoordinate complex is obtained. The comparison with reported bond lengths and (13) C NMR chemical shifts of doubly reduced free pyridine monoaldimine ligands indicates that both redox equivalents in the doubly reduced rhenium complex investigated here are located in the PMI ligand. With diamagnetic complexes varying over three formal reduction stages at the PMI ligand we were, for the first time, able to establish correlations of the (13) C NMR chemical shifts with the relevant bond lengths in redox-active ligands over a full redox series. PMID:27319753

  12. Node Detection and Internode Length Estimation of Tomato Seedlings Based on Image Analysis and Machine Learning

    Science.gov (United States)

    Yamamoto, Kyosuke; Guo, Wei; Ninomiya, Seishi

    2016-01-01

    Seedling vigor in tomatoes determines the quality and growth of fruits and total plant productivity. It is well known that the salient effects of environmental stresses appear on the internode length; the length between adjoining main stem node (henceforth called node). In this study, we develop a method for internode length estimation using image processing technology. The proposed method consists of three steps: node detection, node order estimation, and internode length estimation. This method has two main advantages: (i) as it uses machine learning approaches for node detection, it does not require adjustment of threshold values even though seedlings are imaged under varying timings and lighting conditions with complex backgrounds; and (ii) as it uses affinity propagation for node order estimation, it can be applied to seedlings with different numbers of nodes without prior provision of the node number as a parameter. Our node detection results show that the proposed method can detect 72% of the 358 nodes in time-series imaging of three seedlings (recall = 0.72, precision = 0.78). In particular, the application of a general object recognition approach, Bag of Visual Words (BoVWs), enabled the elimination of many false positives on leaves occurring in the image segmentation based on pixel color, significantly improving the precision. The internode length estimation results had a relative error of below 15.4%. These results demonstrate that our method has the ability to evaluate the vigor of tomato seedlings quickly and accurately. PMID:27399708

  13. Node Detection and Internode Length Estimation of Tomato Seedlings Based on Image Analysis and Machine Learning.

    Science.gov (United States)

    Yamamoto, Kyosuke; Guo, Wei; Ninomiya, Seishi

    2016-01-01

    Seedling vigor in tomatoes determines the quality and growth of fruits and total plant productivity. It is well known that the salient effects of environmental stresses appear on the internode length; the length between adjoining main stem node (henceforth called node). In this study, we develop a method for internode length estimation using image processing technology. The proposed method consists of three steps: node detection, node order estimation, and internode length estimation. This method has two main advantages: (i) as it uses machine learning approaches for node detection, it does not require adjustment of threshold values even though seedlings are imaged under varying timings and lighting conditions with complex backgrounds; and (ii) as it uses affinity propagation for node order estimation, it can be applied to seedlings with different numbers of nodes without prior provision of the node number as a parameter. Our node detection results show that the proposed method can detect 72% of the 358 nodes in time-series imaging of three seedlings (recall = 0.72, precision = 0.78). In particular, the application of a general object recognition approach, Bag of Visual Words (BoVWs), enabled the elimination of many false positives on leaves occurring in the image segmentation based on pixel color, significantly improving the precision. The internode length estimation results had a relative error of below 15.4%. These results demonstrate that our method has the ability to evaluate the vigor of tomato seedlings quickly and accurately. PMID:27399708

  14. Assembly-free genome comparison based on next-generation sequencing reads and variable length patterns

    OpenAIRE

    Comin, Matteo; Schimd, Michele

    2014-01-01

    Background With the advent of Next-Generation Sequencing technologies (NGS), a large amount of short read data has been generated. If a reference genome is not available, the assembly of a template sequence is usually challenging because of repeats and the short length of reads. When NGS reads cannot be mapped onto a reference genome alignment-based methods are not applicable. However it is still possible to study the evolutionary relationship of unassembled genomes based on NGS data. Results...

  15. Interfacial morphology evolution of a novel room-temperature ultrasonic bonding method based on nanocone arrays

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • A novel ultrasonic bonding method based on Ni nanocone arrays was developed. • Two types of voids were confirmed at the interface. • Type I voids caused by insufficient indentation can be eliminated by increasing time and pressure. • The formation of Type II voids caused by ultrasonic energy has a crucial bonding pressure, 7MPa. • Morphology evolution from cone-like to ladder-like and finally a planar structure was found. - Abstract: The evolution of interfacial morphology is investigated in joints bonded by a newly developed ambient-temperature ultrasonic bonding process based on Ni nano-cone arrays. This confirmed two types of void at the interface: a Type I void in the concave area among the cone-like nanocrystals, and a Type II void on the top of the cone-like nanocrystals. By increasing the bonding pressure or time, the Type I voids can be eliminated; however, a pressure threshold exists for the Type II voids, below which increasing the bonding time accelerates the formation of Type II voids. At pressures above this threshold, on the other hand, increasing the bonding time results in shrinkage of the Type II voids. Varying the pressure and time was also found to induce a change in the interfacial morphology from cone-like to ladder-like and finally a planar structure. In this way, the critical pressure for obtaining a solid bonding joint was found to be 7 MPa

  16. CHARACTERISTIC LENGTH OF ENERGY-CONTAINING STRUCTURES AT THE BASE OF A CORONAL HOLE

    International Nuclear Information System (INIS)

    An essential parameter for models of coronal heating and fast solar wind acceleration that rely on the dissipation of MHD turbulence is the characteristic energy-containing length λ of the squared velocity and magnetic field fluctuations (u2 and b2) transverse to the mean magnetic field inside a coronal hole (CH) at the base of the corona. The characteristic length scale directly defines the heating rate. We use a time series analysis of solar granulation and magnetic field measurements inside two CHs obtained with the New Solar Telescope at Big Bear Solar Observatory. A data set for transverse magnetic fields obtained with the Solar Optical Telescope/Spectro-Polarimeter on board the Hinode spacecraft was utilized to analyze the squared transverse magnetic field fluctuations bt2. Local correlation tracking was applied to derive the squared transverse velocity fluctuations u 2. We find that for u 2 structures, the Batchelor integral scale λ varies in a range of 1800-2100 km, whereas the correlation length sigmav and the e-folding length L vary between 660 and 1460 km. Structures for bt2 yield λ ≈ 1600 km, sigmav ≈ 640 km, and L ≈ 620 km. An averaged (over λ, sigmav, and L) value of the characteristic length of u 2 fluctuations is 1260 ± 500 km, and that of bt2 is 950 ± 560 km. The characteristic length scale in the photosphere is approximately 1.5-50 times smaller than that adopted in previous models (3-30 × 103 km). Our results provide a critical input parameter for current models of coronal heating and should yield an improved understanding of fast solar wind acceleration

  17. On the Nature of Variations in Density and Composition within TATB-based Plastic Bonded Explosives

    International Nuclear Information System (INIS)

    Initiation of insensitive high explosives is affected by porosity in the 100 nm to micron size range. It is also recognized that as-pressed plastic bonded explosives (PBX) are heterogeneous in composition and density at much coarser length scale (10 microns-100 microns). However, variations in density and composition of these explosives have been poorly characterized. Here, we characterize the natural variations in composition and density of TATB-based PBX LX-17 with synchrotron radiation tomography and ultra small angle x-ray scattering. Large scale variations in composition occur as a result of binder enrichment at the prill particle boundaries. The pore fraction is twice as high in the prill particle as in the boundary. The pore distribution is bimodal, with small pores of 50-100 nm in radius and a broader distribution of pores in the 0.5-1.5 micron size range. The higher pore density within the prill particle is attributed to contact asperities between the crystallites that might inhibit complete consolidation and binder infiltration

  18. Predicting the optoelectronic properties of nanowire films based on control of length polydispersity

    Science.gov (United States)

    Large, Matthew J.; Burn, Jake; King, Alice A.; Ogilvie, Sean P.; Jurewicz, Izabela; Dalton, Alan B.

    2016-05-01

    We demonstrate that the optoelectronic properties of percolating thin films of silver nanowires (AgNWs) are predominantly dependent upon the length distribution of the constituent AgNWs. A generalized expression is derived to describe the dependence of both sheet resistance and optical transmission on this distribution. We experimentally validate the relationship using ultrasonication to controllably vary the length distribution. These results have major implications where nanowire-based films are a desirable material for transparent conductor applications; in particular when application-specific performance criteria must be met. It is of particular interest to have a simple method to generalize the properties of bulk films from an understanding of the base material, as this will speed up the optimisation process. It is anticipated that these results may aid in the adoption of nanowire films in industry, for applications such as touch sensors or photovoltaic electrode structures.

  19. Temperature and composition dependence of short-range order and entropy, and statistics of bond length: the semiconductor alloy (GaN)1−x(ZnO)x

    International Nuclear Information System (INIS)

    We present total energy and force calculations for the (GaN)1−x(ZnO)x alloy. Site-occupancy configurations are generated from Monte Carlo (MC) simulations, on the basis of a cluster expansion model proposed in a previous study. Local atomic coordinate relaxations of surprisingly large magnitude are found via density-functional calculations using a 432-atom periodic supercell, for three representative configurations at x = 0.5. These are used to generate bond-length distributions. The configurationally averaged composition- and temperature-dependent short-range order (SRO) parameters of the alloys are discussed. The entropy is approximated in terms of pair distribution statistics and thus related to SRO parameters. This approximate entropy is compared with accurate numerical values from MC simulations. An empirical model for the dependence of the bond length on the local chemical environments is proposed. (paper)

  20. An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.

    Science.gov (United States)

    Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy

    2016-02-01

    The nucleophilic properties of the title compound [(2,6-i-Pr2C6H3N)2(Cl)W(η(2)-t-Bu2P[double bond, length as m-dash]P)]Li·3DME (1) were investigated in reactions with selected electrophilic reagents such as MeI, M(CO)5THF (M = Cr, Mo, W), AlCl3, and GaCl3. Methylation of 1 by MeI yields phosphanylphosphido complexes [(2,6-i-Pr2C6H3N)2W(X)(1,2-η-t-Bu2P[double bond, length as m-dash]P-CH3)] (X = Cl, I) (2-Cl/2-I) with the formation of a new P-C bond. Moreover, 1 reacts with electrophilic compounds [(OC)5M·THF] (M = Cr, Mo, W) to yield a series of novel dinuclear phosphanylphosphinidene complexes [(2,6-i-Pr2C6H3N)2(Cl)W(1,2-η-t-Bu2P[double bond, length as m-dash]P-M(CO)5)]Li·3DME (3, 4, 5) with very long P-M distances. Adducts [(2,6-i-Pr2C6H3N)2(Cl)W(1,2-η-t-Bu2P[double bond, length as m-dash]P-MCl3)]Li·3DME (6, 7) formed by reaction of 1 with GaCl3 and AlCl3 are labile and dissociate into 1 and MCl3 (M = Ga, Al). The outcomes of reactions were monitored by (31)P-NMR spectroscopy. Furthermore, the structures of the isolated complexes 2-Cl/2-I, 3, 4, and [(2,6-i-Pr2C6H3N)2(Cl)W(1,2-η-t-Bu2P[double bond, length as m-dash]P-W(t-Bu2PH)(CO)3COLi·2DME] (5-P) were confirmed unambiguously by X-ray diffraction studies. PMID:26556527

  1. The association between intelligence and telomere length: a longitudinal population based study.

    Directory of Open Access Journals (Sweden)

    Eva M Kingma

    Full Text Available Low intelligence has been associated with poor health and mortality, but underlying mechanisms remain obscure. We hypothesized that low intelligence is associated with accelerated biological ageing as reflected by telomere length; we suggested potential mediation of this association by unhealthy behaviors and low socioeconomic position. The study was performed in a longitudinal population-based cohort study of 895 participants (46.8% males. Intelligence was measured with the Generalized Aptitude-Test Battery at mean age 52.8 years (33-79 years, SD=11.3. Leukocyte telomere length was measured by PCR. Lifestyle and socioeconomic factors were assessed using written self-report measures. Linear regression analyses, adjusted for age, sex, and telomere length measured at the first assessment wave (T1, showed that low intelligence was associated with shorter leukocyte telomere length at approximately 2 years follow-up (beta= .081, t=2.160, p= .031. Nearly 40% of this association was explained by an unhealthy lifestyle, while low socioeconomic position did not add any significant mediation. Low intelligence may be a risk factor for accelerated biological ageing, thereby providing an explanation for its association with poor health and mortality.

  2. Effect of nanowire length on the performance of silicon nanowires based solar cell

    International Nuclear Information System (INIS)

    Currently, silicon nanowires (SiNWs) are attracting attention as promising candidate materials for developing the next-generation solar cells to realize both low cost and high efficiency due to their unique structural, electrical, and optical properties. In this paper, a vertical-aligned SiNWs array has been prepared by metal-assistant chemical etching technique and implemented on SiNW array textured solar cells for photovoltaic application. The shape and size of SiNWs were controlled by etching time of 30 min, 45 min and 60 min with the length of SiNWs of 4 μm, 6 μm and 8 μm, respectively. The etching rate was estimated to be about 133 nm per minute. The optical properties of a SiNWs array with different lengths were investigated in terms of optical reflection property. Less than 6% reflection ratio from 300 nm to 800 nm wavelength was achieved. In addition, I–V characteristic was used to estimate the dependence of the SiNWs length on the performance of SiNWs based solar cell. Conservation efficiencies were achieved of 1.71%, 2.19%, and 2.39% corresponding to 4 μm, 6 μm and 8 μm SiNWs in length, respectively. (paper)

  3. Does School Duration Affect Student Performance? Findings from Canton-Based Variation in Swiss Educational Length

    OpenAIRE

    Skirbekk, V.

    2005-01-01

    This paper investigates Swiss canton-based regulations to determine the number of school years required to graduate from academic track secondary school. The results show that the variation (12, 12.5 or 13 years) does not affect human capital levels (TIMSS math and science performance). This suggests that one could decrease school length from 13 to 12 years without decreasing student performance levels. A younger school leaving age could extend the working life, soften the burden of populatio...

  4. Regulation of Queue Length in Router Based on an Optimal Scheme

    OpenAIRE

    Zhang, Nannan

    2009-01-01

    Based on the proportionally fair scheme that Kelly proposed to solve the optimization problems for utility function in networks, and in order to improve the congestion control performance for the queue in router, the linear and terminal sliding active queue management (AQM) algorithms are designed. Especially in the ter-minal sliding AQM algorithm, a special nonlinear terminal sliding surface is designed in order to force queue length to reach the desired value in finite time. The upper bound...

  5. Hydrophobic, Polar and Hydrogen Bonding Based Drug-Receptor Interaction of Tetrahydroimidazobenzodiazepinones

    Directory of Open Access Journals (Sweden)

    V. K. Sahu

    2008-01-01

    Full Text Available Anti-HIV drug discovery has been increasingly focusing on HIV-1-RT (reverse transcriptase as a potential therapeutic target. Tetrahydroimidazobenzodiazepinone (TIBO belongs to non-nucleoside group of reverse transcriptase inhibitors (NNRTIs. A computational chemistry study has been performed on a series of tetrahydroimidazo-benzodiazepinones as HIV-1-NNRT inhibitors. Problem statement: In order to search out new drug of desired activity from the lead compounds, there was need to know the interaction of drugs with their receptor i.e., type of force(s that have predominant role. Approach: Log P and SASA have been used for measurement of hydrophobic interaction, energy of protonation for measurement of most favorable hydrogen bond acceptor site, bond length and bond strain for measurement of strength of hydrogen bond formed between drug and receptor, atomic charges, ionization potential, electronegativity, E‡n and E‡m and their difference ΔE‡nm for measurement of polar interaction. The 3D modeling and geometry optimization of the compounds and receptor amino acids have been done by semiempirical method with MOPAC2002 associated with CAChe software. Results: The study has shown that hydrophobic interaction is predominant and made major contribution, while hydrogen bonding and polar interactions help in proper orientation of the compound (or its functional groups to make maximam interaction. Conclusion: In this study theoretical technique has been discussed by which new hypothetical HIV-1-NNRT inhibitors can be developed prior to their synthesis only by introducing effective hydrophobic substituents at specific sites.

  6. Detecting the bonding state of explosive welding structures based on EEMD and sensitive IMF time entropy

    International Nuclear Information System (INIS)

    With the increasing application of explosive welding structures in many engineering fields, interface bonding state detection has become more and more significant to avoid catastrophic accidents. However, the complexity of the interface bonding state makes this task challenging. In this paper, a new method based on ensemble empirical mode decomposition (EEMD) and sensitive intrinsic mode function (IMF) time entropy is proposed for this task. As a self-adaptive non-stationary signal analysis method, EEMD can decompose a complicated signal into a set of IMFs with truly physical meaning, which is beneficial to allocate the structural vibration response signal containing a wealth of bonding state information to certain IMFs. Then, the time entropies of these IMFs are calculated to quantitatively assess the bonding state of the explosive welding structure. However, the IMF time entropies have different sensitivities to the bonding state. Therefore, the most sensitive IMF time entropy is selected based on a distance evaluation technique to detect the bonding state of explosive welding structures. The proposed method is applied to bonding state detection of explosive welding pipes in three cases, and the results demonstrate its effectiveness. (papers)

  7. Comparative evaluation of shear bond strengths of veneering porcelain to base metal alloy and zirconia substructures before and after aging – An in vitro study

    Science.gov (United States)

    Sreekala, Laju; Narayanan, Mahesh; Eerali, Sunil M.; Eerali, Susil M.; Varghese, Joju; Zainaba Fathima, A. l.

    2015-01-01

    Objective: The aim of this study was to evaluate and compare the shear bond strength of veneering porcelain to base metal alloy and zirconia substructures before and after aging. Scanning electron microscopy (SEM) was used to determine the failure pattern. Materials and Methods: Twenty rectangular blocks (9 mm length × 4 mm height × 4 mm width) of base metal alloy (Bellabond plus, Bego, Germany) and zirconia (Will ceramZ zirconia K block) were fabricated for shear bond strength test. Surface of the base metal alloy block (4 mm × 4 mm area) was veneered with corresponding veneering porcelain (Ivoclar, IPS classic, vivadent). Similarly, surface of the zirconia rectangular block (4 mm × 4 mm) was veneered with corresponding veneering ceramic (Cercon ceram kiss, Degudent). Out of forty rectangular porcelain veneered core specimen, ten porcelain veneered base metal alloy specimen and ten porcelain veneered zirconia specimen were immersed in water at 37°C for one month to simulate the oral environment. Results: On comparison, the highest shear bond strength value was obtained in porcelain veneered base metal alloy before aging group followed by porcelain veneered base metal alloy after aging group, Porcelain veneered zirconia before aging group, porcelain veneered zirconia after aging group. SEM analysis revealed predominantly cohesive failure of veneering ceramic in all groups. Conclusion: Porcelain veneered base metal alloy samples showed highest shear bond strength than porcelain veneered zirconia samples. Study concluded that aging had an influence on shear bond strength. Shear bond strength was found to be decreasing after aging. SEM analysis revealed cohesive failure of veneering ceramic in all groups suggestive of higher bond strength of the interface than cohesive strength of ceramic. Hence, it was concluded that veneering ceramic was the weakest link. PMID:26942121

  8. Bonding preference of carbon, nitrogen, and oxygen in niobium-based rock-salt structures.

    Science.gov (United States)

    Miura, Akira; Takei, Takahiro; Kumada, Nobuhiro; Wada, Satoshi; Magome, Eisuke; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

    2013-09-01

    Carbon, nitrogen, and oxygen are essential components in solid-state materials. However, understanding their preference on the bonding to metals has not been straightforward. Here, niobium carbide, nitride, and oxide with simple rock-salt-based structures were analyzed by first-principles calculations and synchrotron X-ray diffraction. We found that an increase in the atomic number from carbon to oxygen formed fewer and shorter bonds to metals with better hybridization of atomic orbitals. This can provide a simple guiding principle for understanding the bonding and designing carbides, nitrides, oxides, and mixed-anion compounds. PMID:23937352

  9. Synthesis of photoresponsive cholesterol-based azobenzene organogels: dependence on different spacer lengths

    Directory of Open Access Journals (Sweden)

    Yuchun Ren

    2015-06-01

    Full Text Available A series of azobenzene–cholesterol organogel compounds (M0–M12 with different spacers were designed and synthesized. The molecular structures were confirmed by 1H NMR and 13C NMR spectroscopy. The rapid and reversible photoresponsive properties of the compounds were investigated by UV–vis spectroscopy. Their thermal phase behaviors were studied by DSC. The length of the spacer plays a crucial role in the gelation. Compound M6 is the only one that can gelate in ethanol, isopropanol and 1-butanol and the reversible gel–sol transitions are also investigated. To obtain visual insight into the microstructure of the gels, the typical structures of the xerogels were studied by SEM. Morphologies of the aggregates change from flower-like, network and rod with different sizes. By using IR and XRD characterization, it is found that intermolecular H-bonding, the solvents and van der Waals interaction are the main contributions to the specific superstructure.

  10. A Novel Processor Scheduling Schema in Programmable Router Based on Queue Length Thresholds

    Institute of Scientific and Technical Information of China (English)

    Xu Ke(徐恪); Lin Chuang; Wu Jianping

    2004-01-01

    Programmable router may execute computing tasks except for forwarding IP packets. How to schedule the CPU in the programmable router is an important issue that needs to be solved. In this paper, the authors establish general software architecture of programmable router firstly. Based on this architecture, authors present a novel CPU scheduling algorithm based on queue length thresholds. We model this algorithm using stochastic Petri nets. The analytic results show that this scheduling algorithm can guarantee the requirements of computing of best-effort flows and QoS flows in programmable router at the same time.

  11. INS/EKF-based stride length, height and direction intent detection for walking assistance robots.

    Science.gov (United States)

    Brescianini, Dario; Jung, Jun-Young; Jang, In-Hun; Park, Hyun Sub; Riener, Robert

    2011-01-01

    We propose an algorithm used to obtain the information on stride length, height difference, and direction based on user's intent during walking. For exoskeleton robots used to assist paraplegic patients' walking, this information is used to generate gait patterns by themselves in on-line. To obtain this information, we attach an inertial measurement unit(IMU) on crutches and apply an extended kalman filter-based error correction method to reduce the phenomena of drift due to bias of the IMU. The proposed method is verifed in real walking scenarios including walking, climbing up-stairs, and changing direction of walking with normal. PMID:22275567

  12. An Improved Endmember Selection Method Based on Vector Length for MODIS Reflectance Channels

    Directory of Open Access Journals (Sweden)

    Yuanliu Xu

    2015-05-01

    Full Text Available Endmember selection is the basis for sub-pixel land cover classifications using multiple endmember spectral mixture analysis (MESMA that adopts variant endmember matrices for each pixel to mitigate errors caused by endmember variability in SMA. A spectral library covering a large number of endmembers can account for endmember variability, but it also lowers the computational efficiency. Therefore, an efficient endmember selection scheme to optimize the library is crucial to implement MESMA. In this study, we present an endmember selection method based on vector length. The spectra of a land cover class were divided into subsets using vector length intervals of the spectra, and the representative endmembers were derived from these subsets. Compared with the available endmember average RMSE (EAR method, our approach improved the computational efficiency in endmember selection. The method accuracy was further evaluated using spectral libraries derived from the ground reference polygon and Moderate Resolution Imaging Spectroradiometer (MODIS imagery respectively. Results using the different spectral libraries indicated that MESMA combined with the new approach performed slightly better than EAR method, with Kappa coefficient improved from 0.75 to 0.78. A MODIS image was used to test the mapping fraction, and the representative spectra based on vector length successfully modeled more than 90% spectra of the MODIS pixels by 2-endmember models.

  13. Accurate determination of crystal structures based on averaged local bond order parameters

    OpenAIRE

    Lechner, Wolfgang; Dellago, Christoph

    2008-01-01

    Local bond order parameters based on spherical harmonics, also known as Steinhardt order parameters, are often used to determine crystal structures in molecular simulations. Here we propose a modification of this method in which the complex bond order vectors are averaged over the first neighbor shell of a given particle and the particle itself. As demonstrated using soft particle systems, this averaging procedure considerably improves the accuracy with which different crystal structures can ...

  14. Superfluorinated Ionic Liquid Crystals Based on Supramolecular, Halogen-Bonded Anions

    OpenAIRE

    Cavallo, Gabriella; Terraneo, Giancarlo; Monfredini, Alessandro; Saccone, Marco; Priimagi, Arri; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Bruce, Duncan W

    2016-01-01

    Unconventional ionic liquid crystals in which the liquid crystallinity is enabled by halogen-bonded supramolecular anions [CnF2n+1-I···I···I-CnF2n+1]- are reported. The material system is unique in many ways, demonstrating for the first time 1)ionic, halogen-bonded liquid crystals, and 2)imidazolium-based ionic liquid crystals in which the occurrence of liquid crystallinity is not driven by the alkyl chains of the cation.

  15. A method for estimating age of Danish medieval sub-adults based on long bone length

    DEFF Research Database (Denmark)

    Primeau, C.; Lynnerup, Niels; Friis, Laila Saidane;

    2012-01-01

    aging archaeological Danish sub-adults from the medieval period based on diaphyseal lengths. The problem with using data on Danish samples, which have been derived from a different population, is the possibility of skewing age estimates. In this study 58 Danish archaeological sub-adults were examined...... archaeological data. After the cross point there was a maximum difference of three years and four months higher for the archaeological data. This study has shown the importance of using data for age estimation for archaeological material which has been developed specifically for that population. In addition it......The preferred method for aging archaeological sub-adult skeletons is by dental examination. In cases where no dental records are available, age estimation may be performed according to epiphyseal union, skeletal elements or diaphyseal lengths. Currently no data have been produced specifically for...

  16. Optical Path Length Calibration: A Standard Approach for Use in Absorption Cell-Based IR-Spectrometric Gas Analysis

    OpenAIRE

    Javis Anyangwe Nwaboh; Oliver Witzel; Andrea Pogány; Olav Werhahn; Volker Ebert

    2014-01-01

    We employed a comparison method to determine the optical path length of gas cells which can be used in spectroscopic setup based on laser absorption spectroscopy or FTIR. The method is based on absorption spectroscopy itself. A reference gas cell, whose length is a priori known and desirably traceable to the international system of units (SI), and a gas mixture are used to calibrate the path length of a cell under test. By comparing spectra derived from pressure-dependent measurements on the ...

  17. A stochastic length-based assessment model for the Pandalus stock in Skagerrak and the Norwegian Deep

    DEFF Research Database (Denmark)

    Nielsen, Anders; Munch-Petersen, Sten; Eigaard, Ole Ritzau; Søvik, Guldborg; Ulmestrand, Mats

    This working document describes a length based stochastic assessment model of Pandalus in ICES areas IIIA and IVA. The model describing stock development is age based, but the model also estimates the relation between age and length assuming a von Bertalany growth curve. The model presented in th...

  18. Communication disruption of guava moth (Coscinoptycha improbana) using a pheromone analog based on chain length.

    Science.gov (United States)

    Suckling, D M; Dymock, J J; Park, K C; Wakelin, R H; Jamieson, L E

    2013-09-01

    The guava moth, Coscinoptycha improbana, an Australian species that infests fruit crops in commercial and home orchards, was first detected in New Zealand in 1997. A four-component pheromone blend was identified but is not yet commercially available. Using single sensillum recordings from male antennae, we established that the same olfactory receptor neurons responded to two guava moth sex pheromone components, (Z)-11-octadecen-8-one and (Z)-12-nonadecen-9-one, and to a chain length analog, (Z)-13-eicosen-10-one, the sex pheromone of the related peach fruit moth, Carposina sasakii. We then field tested whether this non-specificity of the olfactory neurons might enable disruption of sexual communication by the commercially available analog, using male catch to synthetic lures in traps in single-tree, nine-tree and 2-ha plots. A disruptive pheromone analog, based on chain length, is reported for the first time. Trap catches for guava moth were disrupted by three polyethylene tubing dispensers releasing the analog in single-tree plots (86% disruption of control catches) and in a plots of nine trees (99% disruption). Where peach fruit moth pheromone dispensers were deployed at a density of 1000/ha in two 2-ha areas, pheromone traps for guava moth were completely disrupted for an extended period (up to 470 days in peri-urban gardens in Mangonui and 422 days in macadamia nut orchards in Kerikeri). In contrast, traps in untreated areas over 100 m away caught 302.8 ± 128.1 moths/trap in Mangonui and 327.5 ± 78.5 moths/ trap in Kerikeri. The longer chain length in the pheromone analog has greater longevity than the natural pheromone due to its lower volatility. Chain length analogs may warrant further investigation for mating disruption in Lepidoptera, and screening using single-sensillum recording is recommended. PMID:24026215

  19. Strengthening of Concrete Structures with cement based bonded composites

    DEFF Research Database (Denmark)

    Täljsten, Björn; Blanksvärd, Thomas

    2008-01-01

    improved working environment and better compatibility to the base concrete structure. This study gives an overview of different cement based systems, all with very promising results for structural upgrading. Studied parameters are structural retrofit for bending, shear and confinement. It is concluded that...

  20. An ancient relation between units of length and volume based on a sphere.

    Directory of Open Access Journals (Sweden)

    Elena Zapassky

    Full Text Available The modern metric system defines units of volume based on the cube. We propose that the ancient Egyptian system of measuring capacity employed a similar concept, but used the sphere instead. When considered in ancient Egyptian units, the volume of a sphere, whose circumference is one royal cubit, equals half a hekat. Using the measurements of large sets of ancient containers as a database, the article demonstrates that this formula was characteristic of Egyptian and Egyptian-related pottery vessels but not of the ceramics of Mesopotamia, which had a different system of measuring length and volume units.

  1. An ancient relation between units of length and volume based on a sphere.

    Science.gov (United States)

    Zapassky, Elena; Gadot, Yuval; Finkelstein, Israel; Benenson, Itzhak

    2012-01-01

    The modern metric system defines units of volume based on the cube. We propose that the ancient Egyptian system of measuring capacity employed a similar concept, but used the sphere instead. When considered in ancient Egyptian units, the volume of a sphere, whose circumference is one royal cubit, equals half a hekat. Using the measurements of large sets of ancient containers as a database, the article demonstrates that this formula was characteristic of Egyptian and Egyptian-related pottery vessels but not of the ceramics of Mesopotamia, which had a different system of measuring length and volume units. PMID:22470489

  2. Wavelet-based ECG compression by bit-field preserving and running length encoding.

    Science.gov (United States)

    Chan, Hsiao-Lung; Siao, You-Chen; Chen, Szi-Wen; Yu, Shih-Fan

    2008-04-01

    Efficient electrocardiogram (ECG) compression can reduce the payload of real-time ECG transmission as well as reduce the amount of data storage in long-term ECG recording. In this paper an ECG compression/decompression architecture based on the bit-field preserving (BFP) and running length encoding (RLE)/decoding schemes incorporated with the discrete wavelet transform (DWT) is proposed. Compared to complex and repetitive manipulations in the set partitioning in hierarchical tree (SPIHT) coding and the vector quantization (VQ), the proposed algorithm has advantages of simple manipulations and a feedforward structure that would be suitable to implement on very-large-scale integrated circuits and general microcontrollers. PMID:18164098

  3. Shear bond strength of a ceromer to noble and base metal alloys

    Directory of Open Access Journals (Sweden)

    Dorriz H.

    2006-08-01

    Full Text Available Background and Aim: The improvement of the physical and chemical properties of resins as well as great advances achieved in the field of chemical bonding of resin to metal has changed the trend of restorative treatments. Today the second generation of laboratory resins have an important role in the restoration of teeth. The clinical bond strength should be reliable in order to gain successful results. In this study the shear bond strength (SBS between targis (a ceromer and two alloys (noble and base metal was studied and the effect of thermocycling on the bond investigated. Materials and Methods: In this experimental study, alloys samples were prepared according to the manufacturer. After sandblasting of bonding surfaces with 50µ AI2o3 Targis was bonded to the alloy using Targis I link. All of the samples were placed in 37°C water for a period of 24 hours. Then half of the samples were subjected to 1000 cycles of thermocycling at temperatures of 5°C and 55°C. Planear shear test was used to test the bond strength in the Instron machine with the speed rate of 0.5mm/min. Data were analyzed by SPSS software. Two-way analysis of variance was used to compare the bond strength among the groups. T test was used to compare the alloys. The influence of thermocycling and alloy type on bond strength was studied using Mann Whitney test. P<0.05 was considered as the limit of significance. Result: The studied alloys did not differ significantly, when the samples were not thermocycled (P=0.136 but after thermocycling a significant difference was observed in SBS of resin to different alloys (P=000.1. Thermal stress and alloy type had significant interaction, with regard to shear bond strength (P=0.003. There was a significant difference in SBS before and after thermocycling in noble alloys (P=0.009, but this was not true in base metals (P=0.29. Maximum SBS (19.09 Mpa belonged to Degubond 4, before thermocycling. Minimum SBS (8.21 Mpa was seen in Degubond 4

  4. Tertiary structure-based protein classification by virtual-bond-angles series

    Institute of Scientific and Technical Information of China (English)

    LI Bin; HE Hong-bo; LI Yi-bing; XIONG Gui-lin

    2005-01-01

    Structure-based protein classification can be based on the similarities in primary, second or tertiary structures of proteins. A method using virtual-bond-angles series that transformed the protein space configuration into a sequence was used for the classification of three-dimensional structures of proteins. By transforming the main chains formed by Cα atoms of proteins into sequences, the series of virtual-bond-angles corresponding to the tertiary structure of the proteins were constructed. Then a distance-based hierarchical clustering method similar to Ward method was introduced to classify these virtual-bond-angles series of proteins. 200 files of protein structures were selected from Brookheaven protein data bank, and 11 clusters were classified.

  5. Sensitivity of MEMS microwave power sensor with the length of thermopile based on Fourier equivalent model

    Institute of Scientific and Technical Information of China (English)

    Liu Tong; Liao Xiaoping; Wang Debo

    2011-01-01

    A Fourier equivalent model is introduced to research the thermal transfer behavior of a terminatingtype MEMS microwave power sensor.The fabrication of this MEMS microwave power sensor is compatible with the GaAs MMIC process.Based on the Fourier equivalent model,the relationship between the sensitivity of a MEMS microwave power sensor and the length of thermopile is studied in particular.The power sensor is measured with an input power from 1 to 100 mW at 10 GHz,and the measurement results show that the power sensor has good input match characteristics and high linearity.The sensitivity calculated from a Fourier equivalent model is about 0.12,0.20 and 0.29 mV/mW with the length at 40,70 and 100 μm,respectively,while the sensitivity of the measurement results is about 0.10,0.22 and 0.30 mV/mW,respectively,and the differences are below 0.02 mV/mW.The sensitivity expression based on the Fourier equivalent model is verified by the measurement results.

  6. Engineering a disulfide bond in the lid hinge region of Rhizopus chinensis lipase: increased thermostability and altered acyl chain length specificity.

    Directory of Open Access Journals (Sweden)

    Xiao-Wei Yu

    Full Text Available The key to enzyme function is the maintenance of an appropriate balance between molecular stability and structural flexibility. The lid domain which is very important for "interfacial activation" is the most flexible part in the lipase structure. In this work, rational design was applied to explore the relationship between lid rigidity and lipase activity by introducing a disulfide bond in the hinge region of the lid, in the hope of improving the thermostability of R. chinensis lipase through stabilization of the lid domain without interfering with its catalytic performance. A disulfide bridge between F95C and F214C was introduced into the lipase from R. chinensis in the hinge region of the lid according to the prediction of the "Disulfide by Design" algorithm. The disulfide variant showed substantially improved thermostability with an eleven-fold increase in the t(1/2 value at 60°C and a 7°C increase of T(m compared with the parent enzyme, probably contributed by the stabilization of the geometric structure of the lid region. The additional disulfide bond did not interfere with the catalytic rate (k(cat and the catalytic efficiency towards the short-chain fatty acid substrate, however, the catalytic efficiency of the disulfide variant towards pNPP decreased by 1.5-fold probably due to the block of the hydrophobic substrate channel by the disulfide bond. Furthermore, in the synthesis of fatty acid methyl esters, the maximum conversion rate by RCLCYS reached 95% which was 9% higher than that by RCL. This is the first report on improving the thermostability of the lipase from R. chinensis by introduction of a disulfide bond in the lid hinge region without compromising the catalytic rate.

  7. Microsilica-bonded magnesia-based refractory castables

    OpenAIRE

    Moulin Silva, Wagner

    2011-01-01

    Among the most impressive developments observed in the last 20 years, the improvement of the installation methods of monolithic refractories is certainly to be taken into account. However, this evolution, from vibratable castables to shotcrete and drycrete was not applied to materials based on magnesia, which are still mostly commercialized as ramming mixes, or as pouring castables with poor properties due to excessive water use. The major issues associated to this lack of technology is the s...

  8. A New Series of Complexes Possessing Rare “Tertiary” Sulfonamide Nitrogen-to-Metal Bonds of Normal Length: fac-[Re(CO)3(N(SO2R)dien)]PF6 Complexes with Hydrophilic Sulfonamide Ligands

    OpenAIRE

    Abhayawardhana, Pramuditha L.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.

    2014-01-01

    Tertiary sulfonamide nitrogen-to-metal bonds of normal length are very rare. We recently discovered such a bond in one class of fac-[Re(CO)3(N(SO2R)(CH2Z)2)]n complexes (Z = 2-pyridyl) with N(SO2R)dpa ligands derived from di-(2-picolyl)amine (N(H)dpa). fac-[M(CO)3(N(SO2R)(CH2Z)2)]n agents (M = 186/188Re, 99mTc) could find use as radiopharmaceutical bioconjugates when R is a targeting moiety. However, the planar, electron-withdrawing 2-pyridyl groups of N(SO2R)dpa destabilize the ligand to bas...

  9. Infant bone age estimation based on fibular shaft length: model development and clinical validation

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Andy; Stamoulis, Catherine; Bixby, Sarah D.; Breen, Micheal A.; Connolly, Susan A.; Kleinman, Paul K. [Boston Children' s Hospital, Harvard Medical School, Department of Radiology, Boston, MA (United States)

    2016-03-15

    Bone age in infants (<1 year old) is generally estimated using hand/wrist or knee radiographs, or by counting ossification centers. The accuracy and reproducibility of these techniques are largely unknown. To develop and validate an infant bone age estimation technique using fibular shaft length and compare it to conventional methods. We retrospectively reviewed negative skeletal surveys of 247 term-born low-risk-of-abuse infants (no persistent child protection team concerns) from July 2005 to February 2013, and randomized them into two datasets: (1) model development (n = 123) and (2) model testing (n = 124). Three pediatric radiologists measured all fibular shaft lengths. An ordinary linear regression model was fitted to dataset 1, and the model was evaluated using dataset 2. Readers also estimated infant bone ages in dataset 2 using (1) the hemiskeleton method of Sontag, (2) the hemiskeleton method of Elgenmark, (3) the hand/wrist atlas of Greulich and Pyle, and (4) the knee atlas of Pyle and Hoerr. For validation, we selected lower-extremity radiographs of 114 normal infants with no suspicion of abuse. Readers measured the fibulas and also estimated bone ages using the knee atlas. Bone age estimates from the proposed method were compared to the other methods. The proposed method outperformed all other methods in accuracy and reproducibility. Its accuracy was similar for the testing and validating datasets, with root-mean-square error of 36 days and 37 days; mean absolute error of 28 days and 31 days; and error variability of 22 days and 20 days, respectively. This study provides strong support for an infant bone age estimation technique based on fibular shaft length as a more accurate alternative to conventional methods. (orig.)

  10. Ray tracing based path-length calculations for polarized light tomographic imaging

    Science.gov (United States)

    Manjappa, Rakesh; Kanhirodan, Rajan

    2015-09-01

    A ray tracing based path length calculation is investigated for polarized light transport in a pixel space. Tomographic imaging using polarized light transport is promising for applications in optical projection tomography of small animal imaging and turbid media with low scattering. Polarized light transport through a medium can have complex effects due to interactions such as optical rotation of linearly polarized light, birefringence, di-attenuation and interior refraction. Here we investigate the effects of refraction of polarized light in a non-scattering medium. This step is used to obtain the initial absorption estimate. This estimate can be used as prior in Monte Carlo (MC) program that simulates the transport of polarized light through a scattering medium to assist in faster convergence of the final estimate. The reflectance for p-polarized (parallel) and s-polarized (perpendicular) are different and hence there is a difference in the intensities that reach the detector end. The algorithm computes the length of the ray in each pixel along the refracted path and this is used to build the weight matrix. This weight matrix with corrected ray path length and the resultant intensity reaching the detector for each ray is used in the algebraic reconstruction (ART) method. The proposed method is tested with numerical phantoms for various noise levels. The refraction errors due to regions of different refractive index are discussed, the difference in intensities with polarization is considered. The improvements in reconstruction using the correction so applied is presented. This is achieved by tracking the path of the ray as well as the intensity of the ray as it traverses through the medium.

  11. Infant bone age estimation based on fibular shaft length: model development and clinical validation

    International Nuclear Information System (INIS)

    Bone age in infants (<1 year old) is generally estimated using hand/wrist or knee radiographs, or by counting ossification centers. The accuracy and reproducibility of these techniques are largely unknown. To develop and validate an infant bone age estimation technique using fibular shaft length and compare it to conventional methods. We retrospectively reviewed negative skeletal surveys of 247 term-born low-risk-of-abuse infants (no persistent child protection team concerns) from July 2005 to February 2013, and randomized them into two datasets: (1) model development (n = 123) and (2) model testing (n = 124). Three pediatric radiologists measured all fibular shaft lengths. An ordinary linear regression model was fitted to dataset 1, and the model was evaluated using dataset 2. Readers also estimated infant bone ages in dataset 2 using (1) the hemiskeleton method of Sontag, (2) the hemiskeleton method of Elgenmark, (3) the hand/wrist atlas of Greulich and Pyle, and (4) the knee atlas of Pyle and Hoerr. For validation, we selected lower-extremity radiographs of 114 normal infants with no suspicion of abuse. Readers measured the fibulas and also estimated bone ages using the knee atlas. Bone age estimates from the proposed method were compared to the other methods. The proposed method outperformed all other methods in accuracy and reproducibility. Its accuracy was similar for the testing and validating datasets, with root-mean-square error of 36 days and 37 days; mean absolute error of 28 days and 31 days; and error variability of 22 days and 20 days, respectively. This study provides strong support for an infant bone age estimation technique based on fibular shaft length as a more accurate alternative to conventional methods. (orig.)

  12. pH-dependent phase behavior of carbohydrate-based gemini surfactants. Effect of the length of the hydrophobic spacer

    NARCIS (Netherlands)

    Klijn, Jaap E.; Stuart, Marc C. A.; Scarzello, Marco; Wagenaar, Anno; Engberts, Jan B. F. N.

    2006-01-01

    The phase behavior of a series of carbohydrate-based gemini surfactants with varying spacer lengths was studied using static and dynamic light scattering between pH 2 and 12. Cryo-electron microscopy pictures provide evidence for the different morphologies present in solution. The spacer length of t

  13. Prediction model for the diffusion length in silicon-based solar cells

    Institute of Scientific and Technical Information of China (English)

    Cheknane A; Benouaz T

    2009-01-01

    d to predict the diffusion length in mono-crystalline silicon solar cells. Furthermore, the computation of the diffusion length and the comparison with measurement data, using the infrared injection method, are presented and discussed.

  14. Real-Time Dry Beach Length Monitoring for Tailings Dams Based on Visual Measurement

    OpenAIRE

    Jun Hu; Shan Hu; Fei Kang; Jianhua Zhang

    2013-01-01

    The length of dry beach is an important factor that influences the safety of tailings dams. However, there still is no accurate and reliable method that can conveniently measure the length of dry beach. In this paper, the authors focus on developing a novel method for dry beach length determination. The proposed method can effectively measure the dry beach length through an ordinary camera and four marking rods placed on the dry beach. Experimental results show that the proposed method can co...

  15. 3D, 2D and 1D networks via N-H…O and N-H…N hydrogen bonding by the bis-amide analogues: Effect of chain lengths and odd-even spacers

    Indian Academy of Sciences (India)

    Gargi Mukherjee; Kumar Biradha

    2014-09-01

    The synthesis, crystal structures and hydrogen bonding networks of four members of the bis(pyridinecarboxamido)alkane and bis(pyridyl)alkanediamides series (1 ≤ ≤ 8), where the amide moieties are separated by alkyl chain (-(CH2)-) having even or odd number of -(CH2)-groups are explored and correlated with the previously reported structures. The odd members (n= odd) of both the series are found to adopt three-dimensional networks in contrast to the 1D or 2D structures of the even members (n= even). This odd-even effect on the dimensionality of the networks however disappears with increase in chain length.

  16. Numerical Parametric Analysis of Bond Coat Thickness Effect on Residual Stresses in Zirconia-Based Thermal Barrier Coatings

    Science.gov (United States)

    Abbas, Musharaf; Hasham, Hasan Junaid; Baig, Yasir

    2016-02-01

    Numerical-based finite element investigation has been conducted to explain the effect of bond coat thickness on stress distribution in traditional and nanostructured yttria-stabilized zirconia (YSZ)-based thermal barrier coatings (TBC). Stress components have been determined to quantitatively analyze the mechanical response of both kinds of coatings under the thermal shock effect. It has been found that maximum radial tensile and compressive stresses that exist at thermally grown oxide (TGO)/bond coat interface and within TGO respectively decrease with an increase in bond coat thickness. Effect of bond coat thickness on axial tensile stresses is not significant. However, axial compressive stresses that exist at the edge of the specimen near bond coat/substrate interface decrease appreciably with the increase in bond coat thickness. Residual stress profile as a function of bond coat thickness is further explained for comparative analysis of both coatings to draw some useful conclusions helpful in failure studies of TBCs.

  17. Comparison of the Effects of Four Pre-Bonding Preparation Methods on the Bond Strength between a Multilithic Tooth and Denture Base Resin

    Directory of Open Access Journals (Sweden)

    Ramin Mosharraf

    2007-01-01

    Full Text Available Introduction: With introducing composite teeth, their wear resistance has been well investigated, but there are few papers about their bonding to acrylic denture base resins. The aim of this study was to compare the four pre-bonding preparation methods on the ridge lap surface of one multilithic denture tooth by determining its bond strength to denture base resin.Materials and Methods: In this experimental laboratory study, 84 maxillary anterior teeth were divided into four groups based on four different pre-bonding methods (untreated, grinding, 2 retention grooves and diatorics. The teeth were mounted on 2 sides of triangular shaped wax models. Then, the laboratory procedures (wax elimination and resin packing were done. Each of the specimens was tested by universal testing machine with cross head speed of 5 mm/min. The data were analyzed by Kruskal-Wallis and Mann- Whitney tests.Results: The mean bond strength in untreated group was 287.38 ± 51.82 N, in grinding group was 301.52 ± 113.65 N, in retention grooves group was 374.38 ± 88.22 N and in diatorics group was 415.19 ± 226.37 N. The highest mean bond strength was seen in diatorics group (P=0.009. The percentage of cohesive fractures in this group(90.5% was significantly more than that in other groups (P<0.001.Conclusion: The results of this study showed that creating retention hole in the ridge lap surface of the multilithic tooth can increase its bond strength with denture base resin.

  18. Metallic–covalent bonding conversion and thermoelectric properties of Al-based icosahedral quasicrystals and approximants

    International Nuclear Information System (INIS)

    In this article, we review the characteristic features of icosahedral cluster solids, metallic–covalent bonding conversion (MCBC), and the thermoelectric properties of Al-based icosahedral quasicrystals and approximants. MCBC is clearly distinguishable from and closely related to the well-known metal–insulator transition. This unique bonding conversion has been experimentally verified in 1/1-AlReSi and 1/0-Al12Re approximants by the maximum entropy method and Rietveld refinement for powder x-ray diffraction data, and is caused by a central atom inside the icosahedral clusters. This helps to understand pseudogap formation in the vicinity of the Fermi energy and establish a guiding principle for tuning the thermoelectric properties. From the electron density distribution analysis, rigid heavy clusters weakly bonded with glue atoms are observed in the 1/1-AlReSi approximant crystal, whose physical properties are close to icosahedral Al–Pd–TM (TM: Re, Mn) quasicrystals. They are considered to be an intermediate state among the three typical solids: metals, covalently bonded networks (semiconductor), and molecular solids. Using the above picture and detailed effective mass analysis, we propose a guiding principle of weakly bonded rigid heavy clusters to increase the thermoelectric figure of merit (ZT) by optimizing the bond strengths of intra- and inter-icosahedral clusters. Through element substitutions that mainly weaken the inter-cluster bonds, a dramatic increase of ZT from less than 0.01 to 0.26 was achieved. To further increase ZT, materials should form a real gap to obtain a higher Seebeck coefficient. (focus issue 4)

  19. Real-Time Dry Beach Length Monitoring for Tailings Dams Based on Visual Measurement

    Directory of Open Access Journals (Sweden)

    Jun Hu

    2013-01-01

    Full Text Available The length of dry beach is an important factor that influences the safety of tailings dams. However, there still is no accurate and reliable method that can conveniently measure the length of dry beach. In this paper, the authors focus on developing a novel method for dry beach length determination. The proposed method can effectively measure the dry beach length through an ordinary camera and four marking rods placed on the dry beach. Experimental results show that the proposed method can conveniently measure the dry beach length with high accuracy, and therefore it can be adopted as an effective method in tailings dam real-time health monitoring.

  20. Mission-profile-based stress analysis of bond-wires in SiC power modules

    DEFF Research Database (Denmark)

    Bahman, Amir Sajjad; Iannuzzo, Francesco; Blaabjerg, Frede

    2016-01-01

    This paper proposes a novel mission-profile-based reliability analysis approach for stress on bond wires in Silicon Carbide (SiC) MOSFET power modules using statistics and thermo-mechanical FEM analysis. In the proposed approach, both the operational and environmental thermal stresses are taken...

  1. Traumatic bonding and the PTSD suffering patients psychotherapy based on mentalization

    Directory of Open Access Journals (Sweden)

    Magdalena Maria Zakrzewska

    2015-09-01

    The author of the publication describes mentalisation - the process of understanding one’s inner mental states and making them meaningful - as a significant psychotherapeutic skill in the psychotherapy of PTSD-suffering patients. The article is based on theory of bonding by Bowl, papers of Fonagy, Allen, Bateman, Ruppert, and Schore. The author also references to the field of neuropsychology.

  2. Dynamic Simulations of Nonlinear Multi-Domain Systems Based on Genetic Programming and Bond Graphs

    Institute of Scientific and Technical Information of China (English)

    DI Wenhui; SUN Bo; XU Lixin

    2009-01-01

    A dynamic simulation method for non-linear systems based on genetic programming (GP) and bond graphs (BG) was developed to improve the design of nonlinear multi-domain energy conversion sys-tems. The genetic operators enable the embryo bond graph to evolve towards the target graph according to the fitness function. Better simulation requires analysis of the optimization of the eigenvalue and the filter circuit evolution. The open topological design and space search ability of this method not only gives a more optimized convergence for the operation, but also reduces the generation time for the new circuit graph for the design of nonlinear multi-domain systems.

  3. A potent malaria transmission blocking vaccine based on codon harmonized full length Pfs48/45 expressed in Escherichia coli.

    Directory of Open Access Journals (Sweden)

    Debabani Roy Chowdhury

    Full Text Available Malaria caused by Plasmodium falciparum is responsible for nearly 1 million deaths annually. Although much progress has been made in the recent past, the development of a safe, effective and affordable malaria vaccine has remained a challenge. A vaccine targeting sexual stages of the parasite will not only reduce malaria transmission by female Anopheles mosquitoes, but also reduce the spread of parasites able to evade immunity elicited by vaccines targeting pre-erythrocytic and erythrocytic asexual stages. We focused our studies on Pfs48/45, a protein expressed in the sexual stages developing within an infected person and one of the most promising transmission-blocking vaccine targets. Functional immunogenicity of Pfs48/45 protein requires proper disulfide bond formation, consequently evaluation of the immunogenicity of recombinant full-length Pfs48/45 has been hampered by difficulties in expressing properly folded protein to date. Here we present a strategy involving harmonization of codons for successful recombinant expression of full length Pfs48/45 in Escherichia coli. The purified protein, designated CH-rPfs48/45, was recognized by monoclonal antibodies directed against reduction-sensitive conformational epitopes in the native protein. Immunogenicity evaluation in mice revealed potent transmission blocking activity in membrane feeding assays of antisera elicited by CH-rPfs48/45 formulated in three different adjuvants, i.e. Alum, Montanide ISA-51 and complete Freund's adjuvant. More importantly, CH-rPfs48/45 formulated with Montanide ISA-51 when administered to nonhuman primates (Olive baboons, Papio anubis resulted in uniformly high antibody responses (ELISA titers >2 million in all five animals. Sera from these animals displayed greater than 93% blocking activity in membrane feeding assays after a single immunization, reaching nearly complete blocking after a booster dose of the vaccine. The relative ease of expression and induction of

  4. Push-out bond strength of CPP-ACP-modified calcium silicate-based cements.

    Science.gov (United States)

    Dawood, Alaa E; Manton, David J; Parashos, Peter; Wong, Rebecca H k; Palamara, Joseph E A; Reynolds, Eric C

    2015-01-01

    This study evaluated the push-out bond strength of 0%, 0.5%, 1.0%, 2.0% and 3.0% (w/w) casein phosphopeptide-amorphous calcium phosphate (CPP-ACP)-modified calcium silicate-based cements (CSCs). The push-out bond strength of a trial MTA was also compared with two CSCs (Biodentine(™) and Angelus(®) MTA). Three hundred 1 mm thick horizontal root sections were prepared from 60 singlerooted human teeth. The canal space of each section was enlarged and filled with the cements. The sections were stored in a phosphate buffer solution. After incubation for 2 months, the push-out bond strength was measured and the data were analyzed using one way analysis of variance followed by Tukey's test. The addition of CPP-ACP to the test cements increased the push-out bond strength (p<0.05). The push-out bond strength of Biodentine(™) was higher than the other cements (p<0.05). There was no statistically significant difference between Angelus(®) MTA and the trial MTA with most of CPP-ACP concentrations. PMID:26235714

  5. BONDING OF MINIATURE PARTS WITH ADHESIVES AND VISION BASED PROCEDURE INSPECTION

    Institute of Scientific and Technical Information of China (English)

    Wang Xiaodong; Jürgen Hesselbach

    2004-01-01

    Bonding with adhesives is an important technique for building up hybrid microsystems.Some adhesives are tested with capillary dispensing system for microassembly,and volume of droplets less than 10 nl with good repeatability can be acquired.1-part UV curing adhesive hardens rapidly and is suitable for bonding of transparent microparts.Light-activated adhesive starts the curing process in an adjustable short period of time after the radiation of visible light,and thus suits bonding of non-transparent microparts.A method is proposed for bonding the guides of a miniature linear motor being developed by collaborate research center 516 (SFB516) in Germany.With the method high assembly accuracy in the vertical direction can be guaranteed.By making small grooves on the stator for containing adhesive,the deterioration of the accuracy due to the thickness of adhesive layer can be avoided.The criteria on deciding the size of the groove are given and analyzed.Vision based inspection method is introduced for automatic assembly of the guides.The dispensing volume and position of dispensed adhesive droplets can be detected for ensuring the bonding quality.

  6. ADSORPTION OF PHENOL IN NON—AQUEOUS SYSTEM BASED ON HYDROGEN—BONDING

    Institute of Scientific and Technical Information of China (English)

    XUMancai; SHIZuoqing; 等

    2000-01-01

    Two hydrogen-bonding adsorbents-macroporous crosslinked poly(P-nitrostyrene)and poly(p-vinylbenzyl amide)-were synthesized,and the adsorption property of phenol from cyclohexane solution onto the adsorbents was studied,The differential adsorption heasts for varied adsorption capacities calculated from the adsorption isotherms according to the Claperyron-Clausius equation lay in the range of hydrogen bond energy (8-50kJ/mol),The adsorption capaccity of o-nitrophenol in cyclohexane was moch less than that of phenol under the same condition.The adsorption capacity of phenol from cyclohexane onto polyacrylonitrile was much less than that onto poly(p-nitrostyrene)or poly(p-vinylbenzyl amide),All these results revealed that adsorption of phenol from cyclohexane by poly(p-nitrostyrene) or poly(p-vinylbenzyl amide)is based on hydrogen-bonding.

  7. Transient liquid phase bonding of titanium-, iron- and nickel-based alloys

    Science.gov (United States)

    Rahman, A. H. M. Esfakur

    The operating temperature of land-based gas turbines and jet engines are ever-increasing to increase the efficiency, decrease the emissions and minimize the cost. Within the engines, complex-shaped parts experience extreme temperature, fatigue and corrosion conditions. Ti-based, Ni-based and Fe-based alloys are commonly used in gas turbines and jet engines depending on the temperatures of different sections. Although those alloys have superior mechanical, high temperature and corrosion properties, severe operating conditions cause fast degradation and failure of the components. Repair of these components could reduce lifecycle costs. Unfortunately, conventional fusion welding is not very attractive, because Ti reacts very easily with oxygen and nitrogen at high temperatures, Ni-based superalloys show heat affected zone (HAZ) cracking, and stainless steels show intergranular corrosion and knife-line attack. On the other hand, transient liquid phase (TLP) bonding method has been considered as preferred joining method for those types of alloys. During the initial phase of the current work commercially pure Ti, Fe and Ni were diffusion bonded using commercially available interlayer materials. Commercially pure Ti (Ti-grade 2) has been diffusion bonded using silver and copper interlayers and without any interlayer. With a silver (Ag) interlayer, different intermetallics (AgTi, AgTi2) appeared in the joint centerline microstructure. While with a Cu interlayer eutectic mixtures and Ti-Cu solid solutions appeared in the joint centerline. The maximum tensile strengths achieved were 160 MPa, 502 MPa, and 382 MPa when Ag, Cu and no interlayers were used, respectively. Commercially pure Fe (cp-Fe) was diffusion bonded using Cu (25 m) and Au-12Ge eutectic interlayer (100 microm). Cu diffused predominantly along austenite grain boundaries in all bonding conditions. Residual interlayers appeared at lower bonding temperature and time, however, voids were observed in the joint

  8. Comparative evaluation of effect of laser on shear bond strength of ceramic bonded with two base metal alloys: An in-vitro study

    OpenAIRE

    K. Deepak; S C Ahila; Muthukumar, B.; M Vasanthkumar

    2013-01-01

    The most common clinical failure in metal ceramic restoration is at the ceramo-metal interface. For the clinical longevity, metal-ceramic prostheses must have satisfactory bond strength between metal and ceramic. Aim and Objective: The aim of this study is to evaluate the effect of Laser etching on shear bond strength between base metal alloys and ceramic. Materials and Methods: A total of 60 specimens were made (Base 5 mm diameter and 1 mm thickness, step with 4 mm diameter and 4 mm ...

  9. Age determination by back length for African savanna elephants: extending age assessment techniques for aerial-based surveys.

    Directory of Open Access Journals (Sweden)

    Morgan J Trimble

    Full Text Available Determining the age of individuals in a population can lead to a better understanding of population dynamics through age structure analysis and estimation of age-specific fecundity and survival rates. Shoulder height has been used to accurately assign age to free-ranging African savanna elephants. However, back length may provide an analog measurable in aerial-based surveys. We assessed the relationship between back length and age for known-age elephants in Amboseli National Park, Kenya, and Addo Elephant National Park, South Africa. We also compared age- and sex-specific back lengths between these populations and compared adult female back lengths across 11 widely dispersed populations in five African countries. Sex-specific Von Bertalanffy growth curves provided a good fit to the back length data of known-age individuals. Based on back length, accurate ages could be assigned relatively precisely for females up to 23 years of age and males up to 17. The female back length curve allowed more precise age assignment to older females than the curve for shoulder height does, probably because of divergence between the respective growth curves. However, this did not appear to be the case for males, but the sample of known-age males was limited to ≤27 years. Age- and sex-specific back lengths were similar in Amboseli National Park and Addo Elephant National Park. Furthermore, while adult female back lengths in the three Zambian populations were generally shorter than in other populations, back lengths in the remaining eight populations did not differ significantly, in support of claims that growth patterns of African savanna elephants are similar over wide geographic regions. Thus, the growth curves presented here should allow researchers to use aerial-based surveys to assign ages to elephants with greater precision than previously possible and, therefore, to estimate population variables.

  10. Flexibility of short DNA helices with finite-length effect: from base pairs to tens of base pairs

    CERN Document Server

    Wu, Yuan-Yan; Zhang, Xi; Tan, Zhi-Jie

    2015-01-01

    Flexibility of short DNA helices is important for the biological functions such as nucleosome formation and DNA-protein recognition. Recent experiments suggest that short DNAs of tens of base pairs (bps) may have apparently higher flexibility than those of kilo bps, while there is still the debate on such high flexibility. In the present work, we have studied the flexibility of short DNAs with finite-length of 5 to 50 bps by the all-atomistic molecular dynamics simulations and Monte Carlo simulations with the worm-like chain model. Our microscopic analyses reveal that short DNAs have apparently high flexibility which is attributed to the significantly strong bending and stretching flexibilities of ~6 bps at each helix end. Correspondingly, the apparent persistence length lp of short DNAs increases gradually from ~29nm to ~45nm as DNA length increases from 10 to 50 bps, in accordance with the available experimental data. Our further analyses show that the short DNAs with excluding ~6 bps at each helix end have...

  11. Prediction model for the diffusion length in silicon-based solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Cheknane, A [Laboratoire d' Etude et Developpement des Materiaux Semiconducteurs et Dielectrques, Universite Amar Telidji de Laghouat, BP 37G, Laghouat 03000 (Algeria); Benouaz, T, E-mail: cheknanali@yahoo.co [Laboratoire de Modelisation, Universite Abou BakarBelkaid de Tlemcen Algerie (Algeria)

    2009-07-15

    A novel approach to compute diffusion lengths in solar cells is presented. Thus, a simulation is done; it aims to give computational support to the general development of a neural networks (NNs), which is a very powerful predictive modelling technique used to predict the diffusion length in mono-crystalline silicon solar cells. Furthermore, the computation of the diffusion length and the comparison with measurement data, using the infrared injection method, are presented and discussed.

  12. Determination of meteor parameters based on the trajectory length and duration

    Science.gov (United States)

    Pupyrev, Yury; Gritsevich, Maria; Esko, Lyytinen

    We describe a new method to determine parameters of meteoroids based on the observed deceleration rate in the atmosphere. The input parameters in the problem are time and length of a visible path of a meteor detected in different points along its atmospheric trajectory. By introducing physically based parameterization and integrating equations of motion the following dependency may be obtained between the meteor height above planetary surface and its velocity (see, e.g. Gritsevich, 2009): $ y=ln 2alpha+beta-ln(operatorname{/line Ei}(beta)-operatorname{/line Ei}(beta v(2)).) Here alpha =frac12 c_{mathrm d}frac{rho_0h_0S_{mathrm e}}{M_{mathrm e}singamma},qquad beta =frac12(1-mu)frac{c_{mathrm h}V(2__{mathrm) e}}{c_{mathrm d}H(*}) $ are ballistic coefficient and mass loss parameter. These are the key parameters which have to be identified and can be further resolved to determine other important quantities, such as meteoroid mass and ablation coefficient. While in ``direct'' method for solving the equations of motion the number of input parameters reaches 8 (and thus significantly exceeds the number of physical equations), in this case all variables are grouped together in definition of these two parameters. The above mentioned equation was previously successfully used to fit the observational data. In this study we develop a novel algorithm where the length along trajectory may be used as input parameter. To demonstrate the method, we analyze data recorded with two or more monitoring stations of fireball network operating in Finland (Lyytinen and Gritsevich, 2013). Acknowledgements: This work is conducted under the partial support from the Russian Foundation for Basic Research projects Nos. 14-08-00204 and 13-07-00276 and the Academy of Finland. We thank Pekka Kokko, Jarmo Moilanen and the whole Finnish Fireball Working Group for their thorough help with data collection. textit{References}: Gritsevich (2009): Determination of parameters of meteor bodies based on

  13. Bond slip detection of concrete-encased composite structure using shear wave based active sensing approach

    Science.gov (United States)

    Zeng, Lei; Parvasi, Seyed Mohammad; Kong, Qingzhao; Huo, Linsheng; Lim, Ing; Li, Mo; Song, Gangbing

    2015-12-01

    Concrete-encased composite structure exhibits improved strength, ductility and fire resistance compared to traditional reinforced concrete, by incorporating the advantages of both steel and concrete materials. A major drawback of this type of structure is the bond slip introduced between steel and concrete, which directly reduces the load capacity of the structure. In this paper, an active sensing approach using shear waves to provide monitoring and early warning of the development of bond slip in the concrete-encased composite structure is proposed. A specimen of concrete-encased composite structure was investigated. In this active sensing approach, shear mode smart aggregates (SAs) embedded in the concrete act as actuators and generate desired shear stress waves. Distributed piezoceramic transducers installed in the cavities of steel plates act as sensors and detect the wave response from shear mode SAs. Bond slip acts as a form of stress relief and attenuates the wave propagation energy. Experimental results from the time domain analysis clearly indicate that the amplitudes of received signal by lead zirconate titanate sensors decreased when bond slip occurred. In addition, a wavelet packet-based analysis was developed to compute the received signal energy values, which can be used to determine the initiation and development of bond slip in concrete-encased composite structure. In order to establish the validity of the proposed method, a 3D finite element analysis of the concrete-steel bond model is further performed with the aid of the commercial finite element package, Abaqus, and the numerical results are compared with the results obtained in experimental study.

  14. Flexure mechanism-based parallelism measurements for chip-on-glass bonding

    International Nuclear Information System (INIS)

    Recently, liquid crystal displays (LCDs) have played vital roles in a variety of electronic devices such as televisions, cellular phones, and desktop/laptop monitors because of their enhanced volume, performance, and functionality. However, there is still a need for thinner LCD panels due to the trend of miniaturization in electronic applications. Thus, chip-on-glass (COG) bonding has become one of the most important aspects in the LCD panel manufacturing process. In this study, a novel sensor was developed to measure the parallelism between the tooltip planes of the bonding head and the backup of the COG main bonder, which has previously been estimated by prescale pressure films in industry. The sensor developed in this study is based on a flexure mechanism, and it can measure the total pressing force and the inclination angles in two directions that satisfy the quantitative definition of parallelism. To improve the measurement accuracy, the sensor was calibrated based on the estimation of the total pressing force and the inclination angles using the least-squares method. To verify the accuracy of the sensor, the estimation results for parallelism were compared with those from prescale pressure film measurements. In addition, the influence of parallelism on the bonding quality was experimentally demonstrated. The sensor was successfully applied to the measurement of parallelism in the COG-bonding process with an accuracy of more than three times that of the conventional method using prescale pressure films

  15. A method for estimating gestational age of fetal remains based on long bone lengths.

    Science.gov (United States)

    Carneiro, Cristiana; Curate, Francisco; Cunha, Eugénia

    2016-09-01

    The estimation of gestational age (GA) in fetal human remains is important in forensic settings, particularly to assess fetal viability, in addition to often being the only biological profile parameter that can be assessed with some accuracy for non-adults. The length of long bone diaphysis is one of the most frequently used methods for fetal age estimation. The main objective of this study was to present a simple and objective method for estimating GA based on the measurements of the diaphysis of the femur, tibia, fibula, humerus, ulna, and radius. Conventional least squares regression equations (classical and inverse calibration approaches) and quick reference tables were generated. A supplementary objective was to compare the performance of the new formulae against previously published models. The sample comprised 257 fetuses (136 females and 121 males) with known GA (between 12 and 40 weeks) and was selected based on clinical and pathological information. All measurements were performed on radiographic images acquired in anonymous clinical autopsy records from spontaneous and therapeutic abortions in two Portuguese hospitals. The proposed technique is straightforward and reproducible. The models for the GA estimation are exceedingly accurate and unbiased. Comparisons between inverse and classical calibration show that both perform exceptionally well, with high accuracy and low bias. Also, the newly developed equations generally outperform earlier methods of GA estimation in forensic contexts. Quick reference tables for each long bone are now available. The obtained models for the estimation of gestational age are of great applicability in forensic contexts. PMID:27251047

  16. Erosive cola-based drinks affect the bonding to enamel surface: an in vitro study

    Directory of Open Access Journals (Sweden)

    Leslie Caroll CASAS-APAYCO

    2014-10-01

    Full Text Available Objective: This study aimed to assess the impact of in vitro erosion provoked by different cola-based drinks (Coke types, associated or not with toothbrushing, to bonding to enamel. Material and methods: Forty-six bovine enamel specimens were prepared and randomly assigned into seven groups (N=8: C- Control (neither eroded nor abraded, ERO-RC: 3x/1-minute immersion in Regular Coke (RC, ERO-LC: 3x/1-minute immersion in Light Coke (LC, ERO-ZC: 3x/1-minute immersion in Zero Coke (ZC and three other eroded groups, subsequently abraded for 1-minute toothbrushing (EROAB-RC, EROAB-LC and EROAB-ZC, respectively. After challenges, they were stored overnight in artificial saliva for a total of 24 hours and restored with Adper Single Bond 2/Filtek Z350. Buildup coronal surfaces were cut in 1 mm2 -specimens and subjected to a microtensile test. Data were statistically analyzed by two-way ANOVA/Bonferroni tests (α=0.05. Failure modes were assessed by optical microscopy (X40. The Interface of the restorations were observed using Confocal Laser Scanning Microscopy (CLSM. Results: All tested cola-based drinks significantly reduced the bond strength, which was also observed in the analyses of interfaces. Toothbrushing did not have any impact on the bond strength. CLSM showed that except for Zero Coke, all eroded specimens resulted in irregular hybrid layer formation. Conclusions: All cola-based drinks reduced the bond strength. Different patterns of hybrid layers were obtained revealing their impact, except for ZC.

  17. LOESS correction for length variation in gene set-based genomic sequence analysis

    OpenAIRE

    Aboukhalil, Anton; Bulyk, Martha L.

    2012-01-01

    Motivation: Sequence analysis algorithms are often applied to sets of DNA, RNA or protein sequences to identify common or distinguishing features. Controlling for sequence length variation is critical to properly score sequence features and identify true biological signals rather than length-dependent artifacts.

  18. Observation of H-bond mediated 3hJH2H3coupling constants across Watson-Crick AU base pairs in RNA

    International Nuclear Information System (INIS)

    3hJH2H3trans-hydrogen bond scalar coupling constants have been observed for the first time in Watson-Crick AU base pairs in uniformly 15N-labeled RNA oligonucleotides using a new 2hJNN-HNN-E. COSY experiment. The experiment utilizes adenosine H2 (AH2) for original polarization and detection, while employing 2hJNNcouplings for coherence transfer across the hydrogen bonds (H-bonds). The H3 protons of uracil bases are unperturbed throughout the experiment so that these protons appear as passive spins in E. COSY patterns. 3hJH2H3coupling constants can therefore be accurately measured in the acquisition dimension from the displacement of the E. COSY multiplet components, which are separated by the relatively large 1JH3N3coupling constants in the indirect dimension of the two-dimensional experiment. The 3hJH2H3scalar coupling constants determined for AU base pairs in the two RNA hairpins examined here have been found to be positive and range in magnitude up to 1.8 Hz. Using a molecular fragment representation of an AU base pair, density functional theory/finite field perturbation theory (DFT/FPT) methods have been applied to attempt to predict the relative contributions of H-bond length and angular geometry to the magnitude of 3hJH2H3coupling constants. Although the DFT/FPT calculations did not reproduce the full range of magnitude observed experimentally for the 3hJH2H3coupling constants, the calculations do predict the correct sign and general trends in variation in size of these coupling constants. The calculations suggest that the magnitude of the coupling constants depends largely on H-bond length, but can also vary with differences in base pair geometry. The dependency of the 3hJH2H3coupling constant on H-bond strength and geometry makes it a new probe for defining base pairs in NMR studies of nucleic acids

  19. Prediction Method of El Nino Southern Oscillation: ENSO by Means of Wavelet Based Data Compression with Appropriate Support Length of Base Function

    Directory of Open Access Journals (Sweden)

    Kohei Arai

    2013-08-01

    Full Text Available Method for El Nino/Southern Oscillation: ENSO by means of wavelet based data compression with appropriate support length of base function is proposed. Through the experiments with observed southern oscillation index, the proposed method is validated. Also a method for determination of appropriate support length is proposed and is validated.

  20. Lengths of the maxillary central incisor, the nasal bone, and the anterior cranial base in different skeletal malocclusions

    DEFF Research Database (Denmark)

    Arntsen, Torill; Kjær, Inger; Sonnesen, Liselotte

    malocclusions. Material and methods . Incisor, nasal, and cranial base lengths were measured on lateral radiographs of adult patients with skeletal malocclusions, including open bite (n=35), mandibular overjet (n=56), maxillary overjet (n=31), deep bite (n=19), and compared with those of a control group with...... skeletal malocclusions. The present findings, especially the deviation of the upper incisor length in different skeletal malocclusions, are considered relevant for orthodontic diagnostics and treatment....

  1. Area Efficient Parallel FIR Digital Filter Structures of Even Length Based on Fast FIR Algorithm

    Directory of Open Access Journals (Sweden)

    G.Sreenivasulu

    2014-10-01

    Full Text Available This paper introduces novel parallel FIR filter structures which are advantageous to symmetric coefficient in the reduction of hardware cost , based, on“Fast finite impulse response (FIR, algorithms” (FFA,under the condition that number of taps is multiple of two or three. The novel parallel finite impulse response determines the inherent nature of symmetric coefficients which reduces the half of the required multiplier in sub filter block at additional increase of adders in pre processing and post processing blocks .Interchanging multipliers with adders is profitable because multipliers occupy more silicon area compared to that of adders which occupy less silicon area .and also additional increase adders ,stay fixed only in preprocessing and post processing blocks they do not in the subfilter section. For example for a 2 parallel 24 tap FIR filter the proposed structure save 6 multipliers at expense of 2 adders for a 3 parallel 24 tap FIR filter the proposed structure saves 6 multipliers at expense of 7 adders and for a 4 parallel 24 tap FIR filter the proposed structure saves 9 multipliers at the expense of 11 adders. The advantage of novel parallel FIR filter structures is that the more number of multipliers are saved as the length of the FIR filter increases.

  2. Bitstream decoding processor for fast entropy decoding of variable length coding-based multiformat videos

    Science.gov (United States)

    Jo, Hyunho; Sim, Donggyu

    2014-06-01

    We present a bitstream decoding processor for entropy decoding of variable length coding-based multiformat videos. Since most of the computational complexity of entropy decoders comes from bitstream accesses and table look-up process, the developed bitstream processing unit (BsPU) has several designated instructions to access bitstreams and to minimize branch operations in the table look-up process. In addition, the instruction for bitstream access has the capability to remove emulation prevention bytes (EPBs) of H.264/AVC without initial delay, repeated memory accesses, and additional buffer. Experimental results show that the proposed method for EPB removal achieves a speed-up of 1.23 times compared to the conventional EPB removal method. In addition, the BsPU achieves speed-ups of 5.6 and 3.5 times in entropy decoding of H.264/AVC and MPEG-4 Visual bitstreams, respectively, compared to an existing processor without designated instructions and a new table mapping algorithm. The BsPU is implemented on a Xilinx Virtex5 LX330 field-programmable gate array. The MPEG-4 Visual (ASP, Level 5) and H.264/AVC (Main Profile, Level 4) are processed using the developed BsPU with a core clock speed of under 250 MHz in real time.

  3. Race-Ethnicity, Poverty, Urban Stressors, and Telomere Length in a Detroit Community-based Sample.

    Science.gov (United States)

    Geronimus, Arline T; Pearson, Jay A; Linnenbringer, Erin; Schulz, Amy J; Reyes, Angela G; Epel, Elissa S; Lin, Jue; Blackburn, Elizabeth H

    2015-06-01

    Residents of distressed urban areas suffer early aging-related disease and excess mortality. Using a community-based participatory research approach in a collaboration between social researchers and cellular biologists, we collected a unique data set of 239 black, white, or Mexican adults from a stratified, multistage probability sample of three Detroit neighborhoods. We drew venous blood and measured telomere length (TL), an indicator of stress-mediated biological aging, linking respondents' TL to their community survey responses. We regressed TL on socioeconomic, psychosocial, neighborhood, and behavioral stressors, hypothesizing and finding an interaction between poverty and racial-ethnic group. Poor whites had shorter TL than nonpoor whites; poor and nonpoor blacks had equivalent TL; and poor Mexicans had longer TL than nonpoor Mexicans. Findings suggest unobserved heterogeneity bias is an important threat to the validity of estimates of TL differences by race-ethnicity. They point to health impacts of social identity as contingent, the products of structurally rooted biopsychosocial processes. PMID:25930147

  4. A novel handwritten character recognition system using gradient based features and run length count

    Indian Academy of Sciences (India)

    G Raju; Bindu S Moni; Madhu S Nair

    2014-12-01

    In this paper, we propose a novel hand written character recognition systemusing a combination of gradient-based features and run length count (GBF–RLC). The performance of the proposed method has been tested on Malayalam script, a South Indian language. The gradient of image is the intensity at each point, giving the direction of the largest possible increase from light to dark and the rate of change in that direction. RLC is the count of contiguous group of 1’s encountered in a left to right/top to bottom scan of a character image or block of an image. Classification was carried out with a Simplified Quadratic Classifier (SQDF) and Multi Layer Perceptron (MLP). A database containing 19,800 isolated handwritten characters pertaining to 44 classes was used for the study. The feature vector is augmented by including aspect ratio, position of centroid and ratio of pixels on the vertical halves of a character image. The recognition accuracy of 99.78% was achieved with minimum computational and storage requirement.

  5. Bayesian Network Based Fault Prognosis via Bond Graph Modeling of High-Speed Railway Traction Device

    Directory of Open Access Journals (Sweden)

    Yunkai Wu

    2015-01-01

    component-level faults accurately for a high-speed railway traction system, a fault prognosis approach via Bayesian network and bond graph modeling techniques is proposed. The inherent structure of a railway traction system is represented by bond graph model, based on which a multilayer Bayesian network is developed for fault propagation analysis and fault prediction. For complete and incomplete data sets, two different parameter learning algorithms such as Bayesian estimation and expectation maximization (EM algorithm are adopted to determine the conditional probability table of the Bayesian network. The proposed prognosis approach using Pearl’s polytree propagation algorithm for joint probability reasoning can predict the failure probabilities of leaf nodes based on the current status of root nodes. Verification results in a high-speed railway traction simulation system can demonstrate the effectiveness of the proposed approach.

  6. ADSORPTION OF CAFFEINE BY HYDROGEN DONATING ADSORBENTS BASED ON HYDROGEN BONDING

    Institute of Scientific and Technical Information of China (English)

    XUMancai; SHIZuoqing; 等

    2000-01-01

    The adsorption isotherms of caffeine from aqueous solution onto three hydrogen donating adsorbents-hydroxypolystyrene,polystryene-azo-pyrogallol,and D72 resin-were measured.The adsorption enthalpies calculated from the isotherms according to the Clausisu-Clapeyron equation were -24-36kJ/mol,-32-37kJ/mol,and -19-24kJ/mol respectively.These values implied that the adsorption processes were based on hydrogen bonding.Furthermore.the mechanism of the adsorption of caffeine onto D72 resin was studied by IR spectra and the small molecular model experiments,and the results showed that the adsorption of caffeine onto hydrogen donating adsorbents was based on hydrogen bonding.

  7. Assessing the distinguishable cluster approximation based on the triple bond-breaking in the nitrogen molecule

    Science.gov (United States)

    Rishi, Varun; Perera, Ajith; Bartlett, Rodney J.

    2016-03-01

    Obtaining the correct potential energy curves for the dissociation of multiple bonds is a challenging problem for ab initio methods which are affected by the choice of a spin-restricted reference function. Coupled cluster (CC) methods such as CCSD (coupled cluster singles and doubles model) and CCSD(T) (CCSD + perturbative triples) correctly predict the geometry and properties at equilibrium but the process of bond dissociation, particularly when more than one bond is simultaneously broken, is much more complicated. New modifications of CC theory suggest that the deleterious role of the reference function can be diminished, provided a particular subset of terms is retained in the CC equations. The Distinguishable Cluster (DC) approach of Kats and Manby [J. Chem. Phys. 139, 021102 (2013)], seemingly overcomes the deficiencies for some bond-dissociation problems and might be of use in quasi-degenerate situations in general. DC along with other approximate coupled cluster methods such as ACCD (approximate coupled cluster doubles), ACP-D45, ACP-D14, 2CC, and pCCSD(α, β) (all defined in text) falls under a category of methods that are basically obtained by the deletion of some quadratic terms in the double excitation amplitude equation for CCD/CCSD (coupled cluster doubles model/coupled cluster singles and doubles model). Here these approximate methods, particularly those based on the DC approach, are studied in detail for the nitrogen molecule bond-breaking. The N2 problem is further addressed with conventional single reference methods but based on spatial symmetry-broken restricted Hartree-Fock (HF) solutions to assess the use of these references for correlated calculations in the situation where CC methods using fully symmetry adapted SCF solutions fail. The distinguishable cluster method is generalized: 1) to different orbitals for different spins (unrestricted HF based DCD and DCSD), 2) by adding triples correction perturbatively (DCSD(T)) and iteratively (DCSDT

  8. Eringen's small length scale coefficient for buckling of nonlocal Timoshenko beam based on microstructured beam model

    Science.gov (United States)

    Zhang, Z.; Challamel, N.; Wang, C. M.

    2013-09-01

    This paper presents the determination of Eringen's small length scale coefficient e0 for buckling of nonlocal Timoshenko beam from a microstructured beam model. The microstructured beam model is composed of discrete rigid elements (of equal length), which are connected by rotational and shear springs that model the bending and shearing behaviors in a beam. The exact solution of e0 is given for nonlocal Timoshenko beam with small length scale term appearing in the normal stress-strain relation only. It is shown that e0 approaches 1/√12 ≈0.289 which coincides with the one calibrated for nonlocal Euler beams.

  9. Optimum dose of 2-hydroxyethyl methacrylate based bonding material on pulp cells toxicity

    OpenAIRE

    Widya Saraswati

    2010-01-01

    Background: 2-hydroxyethyl methacrylate (HEMA), one type of resins commonly used as bonding base material, is commonly used due to its advantageous chemical characteristics. Several preliminary studies indicated that resin is a material capable to induce damage in dentin-pulp complex. It is necessary to perform further investigation related with its biological safety for hard and soft tissues in oral cavity. Purpose: The author performed an in vitro test to find optimum dose of HEMA resin mon...

  10. Piezoelectric and bonding properties of a cement-based composite for dental application

    International Nuclear Information System (INIS)

    A cement-based piezoelectric composite was introduced as real-time health monitoring systems to dentin. Lithium sodium potassium niobate and zinc polycarboxylate cement were mixed and made piezoelectric under different poling conditions. X-ray diffraction and scanning electron microscope confirmed the component and microstructure of the cement. The bonding force of the composites was compared to that of pure cement by analysis of variance. The optimum poling method was determined and the influencing factors of piezoelectric coefficient were discussed

  11. The effect of denture base surface pretreatments on bond strengths of two long term resilient liners

    OpenAIRE

    Kulkarni, Rahul Shyamrao; Parkhedkar, Rambhau

    2011-01-01

    PURPOSE Purpose of this study was to evaluate effect of two surface treatments, sandblasting and monomer treatment, on tensile bond strength between two long term resilient liners and poly (methyl methacrylate) denture base resin. MATERIALS AND METHODS Two resilient liners Super-Soft and Molloplast-B were selected.Sixty acrylic resin (Trevalon) specimens with cross sectional area of 10×10 mm were prepared and divided into two groups of 30 specimens each. Each group was surface treated (n = 10...

  12. Chemically-bonded brick production based on burned clay by means of semidry pressing

    Energy Technology Data Exchange (ETDEWEB)

    Voroshilov, Ivan, E-mail: Nixon.06@mail.ru; Endzhievskaya, Irina, E-mail: icaend@mail.ru; Vasilovskaya, Nina, E-mail: icaend@mail.ru [FSAEI HVE Siberian Federal University, 82 Svobodny Prospekt, Krasnoyarsk, 660130 (Russian Federation)

    2016-01-15

    We presented a study on the possibility of using the burnt rocks of the Krasnoyarsk Territory for production of chemically-bonded materials in the form of bricks which are so widely used in multistory housing and private house construction. The radiographic analysis of the composition of burnt rock was conducted and a modifier to adjust the composition uniformity was identified. The mixing moisture content was identified and optimal amount at 13-15% was determined. The method of semidry pressing has been chosen. The process of obtaining moldings has been theoretically proved; the advantages of chemically-bonded wall materials compared to ceramic brick were shown. The production of efficient artificial stone based on material burnt rocks, which is comparable with conventionally effective ceramic materials or effective with cell tile was proved, the density of the burned clay-based cell tile makes up to 1630-1785 kg \\ m{sup 3}, with compressive strength of 13.6-20.0 MPa depending on the compression ratio and cement consumption, frost resistance index is F50, and the thermal conductivity in the masonry is λ = 0,459-0,546 W \\ m {sup *} °C. The clear geometric dimensions of pressed products allow the use of the chemically-bonded brick based on burnt clay as a facing brick.

  13. Chemically-bonded brick production based on burned clay by means of semidry pressing

    Science.gov (United States)

    Voroshilov, Ivan; Endzhievskaya, Irina; Vasilovskaya, Nina

    2016-01-01

    We presented a study on the possibility of using the burnt rocks of the Krasnoyarsk Territory for production of chemically-bonded materials in the form of bricks which are so widely used in multistory housing and private house construction. The radiographic analysis of the composition of burnt rock was conducted and a modifier to adjust the composition uniformity was identified. The mixing moisture content was identified and optimal amount at 13-15% was determined. The method of semidry pressing has been chosen. The process of obtaining moldings has been theoretically proved; the advantages of chemically-bonded wall materials compared to ceramic brick were shown. The production of efficient artificial stone based on material burnt rocks, which is comparable with conventionally effective ceramic materials or effective with cell tile was proved, the density of the burned clay-based cell tile makes up to 1630-1785 kg m3, with compressive strength of 13.6-20.0 MPa depending on the compression ratio and cement consumption, frost resistance index is F50, and the thermal conductivity in the masonry is λ = 0,459-0,546 W m * °C. The clear geometric dimensions of pressed products allow the use of the chemically-bonded brick based on burnt clay as a facing brick.

  14. Low-Temperature Bonding for Silicon-Based Micro-Optical Systems

    Directory of Open Access Journals (Sweden)

    Yiheng Qin

    2015-12-01

    Full Text Available Silicon-based integrated systems are actively pursued for sensing and imaging applications. A major challenge to realize highly sensitive systems is the integration of electronic, optical, mechanical and fluidic, all on a common platform. Further, the interface quality between the tiny optoelectronic structures and the substrate for alignment and coupling of the signals significantly impacts the system’s performance. These systems also have to be low-cost, densely integrated and compatible with current and future mainstream technologies for electronic-photonic integration. To address these issues, proper selection of the fabrication, integration and assembly technologies is needed. In this paper, wafer level bonding with advanced features such as surface activation and passive alignment for vertical electrical interconnections are identified as candidate technologies to integrate different electronics, optical and photonic components. Surface activated bonding, superior to other assembly methods, enables low-temperature nanoscaled component integration with high alignment accuracy, low electrical loss and high transparency of the interface. These features are preferred for the hybrid integration of silicon-based micro-opto-electronic systems. In future, new materials and assembly technologies may emerge to enhance the performance of these micro systems and reduce their cost. The article is a detailed review of bonding techniques for electronic, optical and photonic components in silicon-based systems.

  15. Cleavage of thymine N3-H bonds by low-energy electrons attached to base π* orbitals

    International Nuclear Information System (INIS)

    In this work, we extend our earlier studies on single strand break (SSB) formation in DNA to consider the possibility of cleaving a thymine N3-H bond to generate a nitrogen-centered anion and a hydrogen radical which might proceed to induce further bond cleavages. In earlier studies, we considered SSBs induced by low-energy electrons that attach to DNA bases' π* orbitals or to phosphate P=O π* orbitals to cleave sugar-phosphate C-O bonds or base-sugar N1-C bonds. We also studied the effects of base π-stacking on the rates of such bond cleavages. To date, our results suggest that sugar-phosphate C-O bonds have the lowest barriers to cleavage, that attachment of electrons with energies below 2 eV most likely occurs at the base π* orbitals, that electrons with energy above 2 eV can also attach to phosphate P=O π* orbitals, and that base π stacking has a modest but slowing effect on the rates of SSB formation. However, we had not yet examined the possibility that base N3-H bonds could rupture subsequent to base π* orbital capture. In the present work, the latter possibility is considered and it is found that the barrier to cleavage of the N3-H bond in thymine is considerably higher than for cleaving sugar-phosphate C-O bonds, so our prediction that SSB formation is dominated by C-O bond cleavage remains intact

  16. Isothermal superplastic solid state bonding of 40Cr and Cr12MoV steels based on surface modification

    Institute of Scientific and Technical Information of China (English)

    Zhang Keke; Zhang Zhanling; Liu Shuai; Yue Yun; Ma Ning; Yang Yunlin

    2009-01-01

    Based on the feasibility of isothermal superplastic solid state bonding of 40Cr and Cr12MoV steels, the surfaces of both steels to be bonded were ultra-fined through high frequency hardening, then the superplastic solid state bonding were conducted, the microstructure and fracture surface of bonded joint were observed and analysed, and bonding mechanisms was researched. The experimental results show that with the sample surfaces of 40Cr and Cr12MoV steels after the high frequency hardening, under the prepressing stress of 56.6 MPa, initial strain rate of 1.5×10~(-2) min~(-1) and at the bonding temperature of 800-820℃, the superplastic solid state bonding can be carried out in about 3.5min, and the joint strength is up to that of 40Cr steel base metal and the radial expansion ratio of the joint does not exceed 6%. The superplastic solid state bonding parameter of both steels is within the ranges of the isothermal compressive superplastic deformation of Cr12MoV steel, and the deformation in Cr12MoV steel side near the interfacial zone of joint presents the characteristic of superplasticity. In bonding process, the atoms in two sides of joint interface have diffused each other.

  17. Evaluation of Shear Bond Strength of Methacrylate- and Silorane-based Composite Resin Bonded to Resin-Modified Glass-ionomer Containing Micro- and Nano-hydroxyapatite

    Science.gov (United States)

    Sharafeddin, Farahnaz; Moradian, Marzie; Motamedi, Mehran

    2016-01-01

    Statement of the Problem The adhesion of resin-modified glass-ionomer (RMGI) to composite resin has a very important role in the durability of sandwich restorations. Hydroxyapatite is an excellent candidate as a filler material for improving the mechanical properties of glass ionomer cement. Purpose The aim of this study was to assess the effect of adding micro- and nano-hydroxyapatite (HA) powder to RMGI on the shear bond strength (SBS) of nanofilled and silorane-based composite resins bonded to RMGI containing micro- and nano-HA. Materials and Method Sixty cylindrical acrylic blocks containing a hole of 5.5×2.5 mm (diameter × height) were prepared and randomly divided into 6 groups as Group 1 with RMGI (Fuji II LC) plus Adper Single Bond/Z350 composite resin (5.5×3.5 mm diameter × height); Group 2 with RMGI containing 25 wt% of micro-HA plus Adper Single Bond/Z350 composite resin; Group3 with RMGI containing 25 wt% of nano-HA plus Adper Single Bond/Z350 composite resin; Group 4 with RMGI plus P90 System Adhesive/P90 Filtek composite resin (5.5×3.5 mm diameter × height); Group 5 with RMGI containing 25 wt% of micro-HA plus P90 System Adhesive/P90Filtek composite resin; and Group 6 with RMGI containing 25 wt% of nano-HA plus P90 System Adhesive/P90 Filtek composite resin. The specimens were stored in water (37° C, 1 week) and subjected to 1000 thermal cycles (5°C/55°C). SBS test was performed by using a universal testing machine at a crosshead speed of 1 mm/min. Data were analyzed by two-way ANOVA and Tukey test (p< 0.05). Results There were significant differences between groups 1 and 4 (RMGI groups, p= 0.025), and groups 3 and 6 (RMGI+ nano-HA groups, p= 0.012). However, among Z350 and P90 specimens, no statistically significant difference was detected in the SBS values (p= 0.19, p= 0.083, respectively). Conclusion RMGI containing HA can improve the bond strength to methacrylate-based in comparison to silorane-based composite resins. Meanwhile, RMGI

  18. Taylor-plasticity-based analysis of length scale effects in void growth

    KAUST Repository

    Liu, Junxian

    2014-09-25

    We have studied the void growth problem by employing the Taylor-based strain gradient plasticity theories, from which we have chosen the following three, namely, the mechanism-based strain gradient (MSG) plasticity (Gao et al 1999 J. Mech. Phys. Solids 47 1239, Huang et al 2000 J. Mech. Phys. Solids 48 99-128), the Taylor-based nonlocal theory (TNT; 2001 Gao and Huang 2001 Int. J. Solids Struct. 38 2615) and the conventional theory of MSG (CMSG; Huang et al 2004 Int. J. Plast. 20 753). We have addressed the following three issues which occur when plastic deformation at the void surface is unconstrained. (1) Effects of elastic deformation. Elasticity is essential for cavitation instability. It is therefore important to guarantee that the gradient term entering the Taylor model is the effective plastic strain gradient instead of the total strain gradient. We propose a simple elastic-plastic decomposition method. When the void size approaches the minimum allowable initial void size related to the maximum allowable geometrically necessary dislocation density, overestimation of the flow stress due to the negligence of the elastic strain gradient is on the order of lεY/R0 near the void surface, where l, εY and R0 are, respectively, the intrinsic material length scale, the yield strain and the initial void radius. (2) MSG intrinsic inconsistency, which was initially mentioned in Gao et al (1999 J. Mech. Phys. Solids 47 1239) but has not been the topic of follow-up studies. We realize that MSG higher-order stress arises due to the linear-strain-field approximation within the mesoscale cell with a nonzero size, lε. Simple analysis shows that within an MSG mesoscale cell near the void surface, the difference between microscale and mesoscale strains is on the order of (lε/R0)2, indicating that when lε/R0 ∼ 1.0, the higher-order stress effect can make the MSG result considerably different from the TNT or CMSG results. (3) Critical condition for cavitation instability

  19. Doping and bond length contributions to Mn K-edge shift in La1-SrMnO3 (=0-0.7) and their correlation with electrical transport properties

    Indian Academy of Sciences (India)

    S K Pandey; R Bindu; Ashwini Kumar; S Khalid; A V Pimpale

    2008-02-01

    The room temperature experimental Mn K-edge X-ray absorption spectra of La1-SrMnO3 ( = 0-0.7) are compared with the band structure calculations using spin polarized density functional theory. It is explicitly shown that the observed shift in the energy of Mn K-edge on substitution of divalent Sr on trivalent La sites corresponds to the shift in the center of gravity of the unoccupied Mn 4-band contributing to the Mn K-absorption edge region. This correspondence is then used to separate the doping and size contributions to the edge shift due to variation in the number of electrons in valence band and Mn-O bond lengths, respectively, when Sr is doped into LaMnO3. Such separation is helpful to find the localization behaviour of charge carriers and to understand the observed transport properties of these compounds.

  20. Optimum dose of 2-hydroxyethyl methacrylate based bonding material on pulp cells toxicity

    Directory of Open Access Journals (Sweden)

    Widya Saraswati

    2010-06-01

    Full Text Available Background: 2-hydroxyethyl methacrylate (HEMA, one type of resins commonly used as bonding base material, is commonly used due to its advantageous chemical characteristics. Several preliminary studies indicated that resin is a material capable to induce damage in dentin-pulp complex. It is necessary to perform further investigation related with its biological safety for hard and soft tissues in oral cavity. Purpose: The author performed an in vitro test to find optimum dose of HEMA resin monomer that may induce toxicity in pulp fibroblast cells. Method: The method of this study was experimental laboratory with post test control group design. Primary cell culture was made from dental pulp fibroblast cells, and was given with HEMA resin bonding material in various concentrations (5 µg/ml–2560 µg/ml, and then subjected to toxicity test (MTT assay. Result: HEMA optimum concentration was 320 µg/ml to induce cytotoxicity in pulp fibroblast cells. Conclusion: The used of HEMA - base bonding material with the concentration of 200 µg/ml may induced pulp fibroblas cell toxicity.Latar belakang: Keberhasilan suatu bahan bonding secara klinis tergantung pada kandungan fisik, kimia dan keamanan secara biologis. HEMA (2-hydroxyethyl methacrylate adalah bahan resin yang paling banyak digunakan karena memiliki sifat fisik-kimia yang baik. Beberapa penelitian pendahuluan menyebutkan bahwa resin merupakan bahan yang mampu menyebabkan gangguan pada kompleks dentin pulpa sehingga perlu dilakukan penelitian lebih lanjut menyangkut segi keamanan secara biologis bagi jaringan keras dan jaringan lunak di rongga mulut. Tujuan: Penelitian ini akan menguji secara in vitro (pada kultur sel fibroblas pulpa gigi untuk mengetahui dosis optimal monomer resin HEMA yang dapat menyebabkan toksisitas pada sel fibroblas pulpa. Metode: Metode penelitian ini adalah eksperimental laboratoris dengan rancangan penelitian post test control group design. Kultur sel primer dibuat dari

  1. Technology for integrated circuit micropackages for neural interfaces, based on gold–silicon wafer bonding

    International Nuclear Information System (INIS)

    Progress in the development of active neural interface devices requires a very compact method for protecting integrated circuits (ICs). In this paper, a method of forming micropackages is described in detail. The active areas of the chips are sealed in gas-filled cavities of the cap wafer in a wafer-bonding process using Au–Si eutectic. We describe the simple additions to the design of the IC, the post-processing of the active wafer and the required features of the cap wafer. The bonds, which were made at pressure and temperature levels within the range of the tolerance of complementary metal–oxide–semiconductor ICs, are strong enough to meet MIL STD 883G, Method 2019.8 (shear force test). We show results that suggest a method for wafer-scale gross leak testing using FTIR. This micropackaging method requires no special fabrication process and is based on using IC compatible or conventional fabrication steps. (paper)

  2. LOBSTER: A tool to extract chemical bonding from plane-wave based DFT.

    Science.gov (United States)

    Maintz, Stefan; Deringer, Volker L; Tchougréeff, Andrei L; Dronskowski, Richard

    2016-04-30

    The computer program LOBSTER (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction) enables chemical-bonding analysis based on periodic plane-wave (PAW) density-functional theory (DFT) output and is applicable to a wide range of first-principles simulations in solid-state and materials chemistry. LOBSTER incorporates analytic projection routines described previously in this very journal [J. Comput. Chem. 2013, 34, 2557] and offers improved functionality. It calculates, among others, atom-projected densities of states (pDOS), projected crystal orbital Hamilton population (pCOHP) curves, and the recently introduced bond-weighted distribution function (BWDF). The software is offered free-of-charge for non-commercial research. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:26914535

  3. Micro thermal shear stress sensor based on vacuum anodic bonding and bulk-micromachining

    Institute of Scientific and Technical Information of China (English)

    Yi Liang; Ou Yi; Shi Sha-Li; Ma Jin; Chen Da-Peng; Ye Tian-Chun

    2008-01-01

    This paper describes a micro thermal shear stress sensor with a cavity underneath, based on vacuum anodic bonding and bulk micromachined technology. A Ti/Pt alloy strip, 2μmx100μm, is deposited on the top of a thin silicon nitride diaphragm and functioned as the thermal sensor element. By using vacuum anodic bonding and bulk-si anisotropic wet etching process instead of the sacrificial-layer technique, a cavity, functioned as the adiabatic vacuum chamber, 200μm×200μm×400μm, is placed between the silicon nitride diaphragm and glass (Corning 7740). This method totally avoid adhesion problem which is a major issue of the sacrificial-layer technique.

  4. A Microsystem Based on Porous Silicon-Glass Anodic Bonding for Gas and Liquid Optical Sensing

    Directory of Open Access Journals (Sweden)

    Ivo Rendina

    2006-06-01

    Full Text Available We have recently presented an integrated silicon-glass opto-chemical sensor forlab-on-chip applications, based on porous silicon and anodic bonding technologies. In thiswork, we have optically characterized the sensor response on exposure to vapors of severalorganic compounds by means of reflectivity measurements. The interaction between theporous silicon, which acts as transducer layer, and the organic vapors fluxed into the glasssealed microchamber, is preserved by the fabrication process, resulting in optical pathincrease, due to the capillary condensation of the vapors into the pores. Using theBruggemann theory, we have calculated the filled pores volume for each substance. Thesensor dynamic has been described by time-resolved measurements: due to the analysischamber miniaturization, the response time is only of 2 s. All these results have beencompared with data acquired on the same PSi structure before the anodic bonding process.

  5. Multi-band radio-frequency filters fabricated using polyimide-based membrane transfer bonding technology

    International Nuclear Information System (INIS)

    In this paper, we present a polyimide-based Si membrane transfer bonding technology and its application to CMOS-compatible integration of different modes of AlN/Si composite piezoelectric MEMS resonators. The thermosetting polyimide, which has excellent chemical resistance and thermal stability, is used as a bonding adhesion, and is successfully removed as a sacrificial layer by O2 plasma to release free-standing MEMS devices. The whole process temperature is below 350 °C and compatible with CMOS LSI. Using this technology, different modes of AlN/Si resonators, which are film bulk acoustic wave resonators and wine-glass mode disk-type resonators, have been co-fabricated on the same wafer. We also fabricated a ladder-type FBAR filter with a center frequency of 7.71 GHz and a mechanically coupled disk-array filter with a center frequency of 292.8 GHz.

  6. The origin of unequal bond lengths in the C̃ (1)B2 state of SO2: Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure.

    Science.gov (United States)

    Park, G Barratt; Jiang, Jun; Field, Robert W

    2016-04-14

    The C̃ (1)B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the ν3(') progression. We have recently made the first observation of low-lying levels with odd quanta of v3('), which allows us-in the current work-to characterize the origins of the level staggering. Our work demonstrates the usefulness of low-lying vibrational level structure, where the character of the wavefunctions can be relatively easily understood, to extract information about dynamically important potential energy surface crossings that occur at much higher energy. The measured staggering pattern is consistent with a vibronic coupling model for the double-minimum, which involves direct coupling to the bound 2 (1)A1 state and indirect coupling with the repulsive 3 (1)A1 state. The degree of staggering in the ν3(') levels increases with quanta of bending excitation, which is consistent with the approach along the C̃ state potential energy surface to a conical intersection with the 2 (1)A1 surface at a bond angle of ∼145°. PMID:27083727

  7. The origin of unequal bond lengths in the C ˜ 1B2 state of SO2: Signatures of high-lying potential energy surface crossings in the low-lying vibrational structure

    Science.gov (United States)

    Park, G. Barratt; Jiang, Jun; Field, Robert W.

    2016-04-01

    The C ˜ 1B2 state of SO2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. The asymmetry in the potential energy surface is expressed as a staggering in the energy levels of the ν3' progression. We have recently made the first observation of low-lying levels with odd quanta of v3', which allows us—in the current work—to characterize the origins of the level staggering. Our work demonstrates the usefulness of low-lying vibrational level structure, where the character of the wavefunctions can be relatively easily understood, to extract information about dynamically important potential energy surface crossings that occur at much higher energy. The measured staggering pattern is consistent with a vibronic coupling model for the double-minimum, which involves direct coupling to the bound 2 1A1 state and indirect coupling with the repulsive 3 1A1 state. The degree of staggering in the ν3' levels increases with quanta of bending excitation, which is consistent with the approach along the C ˜ state potential energy surface to a conical intersection with the 2 1A1 surface at a bond angle of ˜145°.

  8. Mechanisms and energetics for N-glycosidic bond cleavage of protonated adenine nucleosides: N3 protonation induces base rotation and enhances N-glycosidic bond stability.

    Science.gov (United States)

    Wu, R R; Rodgers, M T

    2016-06-21

    Our previous gas-phase infrared multiple photon dissociation action spectroscopy study of protonated 2'-deoxyadenosine and adenosine, [dAdo+H](+) and [Ado+H](+), found that both N3 and N1 protonated conformers are populated with the N3 protonated ground-state conformers predominant in the experiments. Therefore, N-glycosidic bond dissociation mechanisms of N3 and N1 protonated [dAdo+H](+) and [Ado+H](+) and the associated quantitative thermochemical values are investigated here using both experimental and theoretical approaches. Threshold collision-induced dissociation (TCID) of [dAdo+H](+) and [Ado+H](+) with Xe is studied using guided ion beam tandem mass spectrometry techniques. For both systems, N-glycosidic bond cleavage reactions are observed as the major dissociation pathways resulting in production of protonated adenine or elimination of neutral adenine. Electronic structure calculations are performed at the B3LYP/6-311+G(d,p) level of theory to probe the potential energy surfaces (PESs) for N-glycosidic bond cleavage of [dAdo+H](+) and [Ado+H](+). Relative energetics of the reactants, transition states, intermediates and products along the PESs for N-glycosidic bond cleavage are determined at the B3LYP/6-311+G(2d,2p), B3LYP-GD3BJ/6-311+G(2d,2p), and MP2(full)/6-311+G(2d,2p) levels of theory. The predicted N-glycosidic bond dissociation mechanisms for the N3 and N1 protonated species differ. Base rotation of the adenine residue enables formation of a strong N3H(+)O5' hydrogen-bonding interaction that stabilizes the N3 protonated species and its glycosidic bond. Comparison between experiment and theory indicates that the N3 protonated species determine the threshold energies, as excellent agreement between the measured and B3LYP computed activation energies (AEs) and reaction enthalpies (ΔHrxns) for N-glycosidic bond cleavage of the N3 protonated species is found. PMID:27240654

  9. Modeling Wood Fibre Length in Black Spruce (Picea mariana (Mill. BSP Based on Ecological Land Classification

    Directory of Open Access Journals (Sweden)

    Elisha Townshend

    2015-09-01

    Full Text Available Effective planning to optimize the forest value chain requires accurate and detailed information about the resource; however, estimates of the distribution of fibre properties on the landscape are largely unavailable prior to harvest. Our objective was to fit a model of the tree-level average fibre length related to ecosite classification and other forest inventory variables depicted at the landscape scale. A series of black spruce increment cores were collected at breast height from trees in nine different ecosite groups within the boreal forest of northeastern Ontario, and processed using standard techniques for maceration and fibre length measurement. Regression tree analysis and random forests were used to fit hierarchical classification models and find the most important predictor variables for the response variable area-weighted mean stem-level fibre length. Ecosite group was the best predictor in the regression tree. Longer mean fibre-length was associated with more productive ecosites that supported faster growth. The explanatory power of the model of fitted data was good; however, random forests simulations indicated poor generalizability. These results suggest the potential to develop localized models linking wood fibre length in black spruce to landscape-level attributes, and improve the sustainability of forest management by identifying ideal locations to harvest wood that has desirable fibre characteristics.

  10. Denoising of Chinese calligraphy tablet images based on run-length statistics and structure characteristic of character strokes

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jun-song; YU Jin-hui; MAO Guo-hong; YE Xiu-zi

    2006-01-01

    In this paper, a novel approach is proposed for denoising of Chinese calligraphy tablet documents. The method includes two phases: First, a partial differential equations (PDE) based the total variation model and Otsu thresholding method are used to preprocess the calligraphy document image. Second, a new method based on on-length statistics and structure characteristics of Chinese characters is proposed to remove some random and ant-like noises. This includes the optimal threshold selection from histogram of run-length probability density, and improved Hough transform algorithm for line shape noise detection and removal. Examples are given in the paper to demonstrate the proposed method.

  11. Neural Network Based Scheduling for Variable-Length Packets in Gigabit Router with Crossbar Switch Fabric and Input Queuing

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A high-speed and effective packet scheduling method is crucial to the performance of Gigabit routers. The paper studies the variable-length packet scheduling problem in Gigabit router with crossbar switch fabric and input queuing, and a scheduling method based on neural network is proposed. For the proposed method, a scheduling system structure fit for the variable-length packet case is presented first, then some rules for scheduling are given, At last, an optimal scheduling method using Hopfield neural network is proposed based on the rules. Furthermore, the paper discusses that the proposed method can be realized by hardware circuit. The simulation result shows the effectiveness of the proposed method.

  12. An Erbium-Based Bifuctional Heterogeneous Catalyst: A Cooperative Route Towards C-C Bond Formation

    Directory of Open Access Journals (Sweden)

    Manuela Oliverio

    2014-07-01

    Full Text Available Heterogeneous bifuctional catalysts are multifunctional synthetic catalysts enabling efficient organic transformations by exploiting two opposite functionalities without mutual destruction. In this paper we report the first Er(III-based metallorganic heterogeneous catalyst, synthesized by post-calcination MW-assisted grafting and modification of the natural aminoacid L-cysteine. The natural acid–base distance between sites was maintained to assure the cooperation. The applicability of this new bifunctional heterogeneous catalyst to C-C bond formation and the supposed mechanisms of action are discussed as well.

  13. A comparison of shear bond strength of ceramic and resin denture teeth on different acrylic resin bases

    OpenAIRE

    Corsalini, Massimo; Venere, Daniela Di; Pettini, Francesco; Stefanachi, Gianluca; Catapano, Santo; Boccaccio, Antonio; Lamberti, Luciano; Pappalettere, Carmine; Carossa, Stefano

    2014-01-01

    The purpose of this study is to compare the shear bond strength of different resin bases and artificial teeth made of ceramic or acrylic resin materials and whether tooth-base interface may be treated with aluminium oxide sandblasting. Experimental measurements were carried on 80 specimens consisting of a cylinder of acrylic resin into which a single tooth is inserted. An ad hoc metallic frame was realized to measure the shear bond strength at the tooth-base interface. A complete factorial pl...

  14. Influence of alkyl chain length and temperature on thermophysical properties of ammonium-based ionic liquids with molecular solvent.

    Science.gov (United States)

    Kavitha, T; Attri, Pankaj; Venkatesu, Pannuru; Devi, R S Rama; Hofman, T

    2012-04-19

    Mixing of ionic liquids (ILs) with molecular solvent can expand the range of structural properties and the scope of molecular interactions between the molecules of the solvents. Exploiting of these phenomena essentially require a basic fundamental understanding of mixing behavior of ILs with molecular solvents. In this context, a series of protic ILs possessing tetra-alkyl ammonium cation [R(4)N](+) with commonly used anion hydroxide [OH](-) were synthesized and characterized by temperature dependent thermophysical properties. The ILs [R(4)N](+)[OH](-) are varying only in the length of alkyl chain (R is methyl, ethyl, propyl, or butyl) of tetra-alkyl ammonium on the cationic part. The ILs used for the present study included tetramethyl ammonium hydroxide [(CH(3))(4)N](+)[OH](-) (TMAH), tetraethyl ammonium hydroxide [(C(2)H(5))(4)N](+)[OH](-) (TEAH), tetrapropyl ammonium hydroxide [(C(3)H(7))(4)N](+)[OH](-) (TPAH) and tetrabutyl ammonium hydroxide [(C(4)H(9))(4)N](+)[OH](-) (TBAH). The alkyl chain length effect has been analyzed by precise measurements such as densities (ρ), ultrasonic sound velocity (u), and viscosity (η) of these ILs with polar solvent, N-methyl-2-pyrrolidone (NMP), over the full composition range as a function of temperature. The excess molar volume (V(E)), the deviation in isentropic compressibility (Δκ(s)) and deviation in viscosity (Δη) were predicted using these properties as a function of the concentration of ILs. Redlich-Kister polynomial was used to correlate the results. A qualitative analysis of the results is discussed in terms of the ion-dipole, ion-pair interactions, and hydrogen bonding between ILs and NMP molecules. Later, the hydrogen bonding features between ILs and NMP were also analyzed using a molecular modeling program with the help of HyperChem 7. PMID:22443087

  15. Microstructures and properties of transient liquid phase diffusion bonded joints of Ni3Al-base superalloy

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    An investigation of transient liquid phase (TLP) diffusion bonding of a Ni3Al-base directionally solidified superalloy, IC6 alloy, was presented. The interlayer alloy employed was Ni-Mo-Cr-B powder alloy. The results show that the microstructure of the TLP diffusion bonded joints is a combination of γ solid solution (or a γ+γ′ structure) and borides. With the bonding time increasing, the quantity of the borides both in bonding seam and adjacent zones is gradually reduced, and the joint stress-rupture property is improved. The obtained stress-rupture property of the TLP bonded joints is on a level with the transverse property of IC6 base materials.

  16. Optimal designs of the median run length based double sampling X chart for minimizing the average sample size.

    Directory of Open Access Journals (Sweden)

    Wei Lin Teoh

    Full Text Available Designs of the double sampling (DS X chart are traditionally based on the average run length (ARL criterion. However, the shape of the run length distribution changes with the process mean shifts, ranging from highly skewed when the process is in-control to almost symmetric when the mean shift is large. Therefore, we show that the ARL is a complicated performance measure and that the median run length (MRL is a more meaningful measure to depend on. This is because the MRL provides an intuitive and a fair representation of the central tendency, especially for the rightly skewed run length distribution. Since the DS X chart can effectively reduce the sample size without reducing the statistical efficiency, this paper proposes two optimal designs of the MRL-based DS X chart, for minimizing (i the in-control average sample size (ASS and (ii both the in-control and out-of-control ASSs. Comparisons with the optimal MRL-based EWMA X and Shewhart X charts demonstrate the superiority of the proposed optimal MRL-based DS X chart, as the latter requires a smaller sample size on the average while maintaining the same detection speed as the two former charts. An example involving the added potassium sorbate in a yoghurt manufacturing process is used to illustrate the effectiveness of the proposed MRL-based DS X chart in reducing the sample size needed.

  17. A novel closure based approach for fatigue crack length estimation using the acoustic emission technique in structural health monitoring applications

    International Nuclear Information System (INIS)

    Use of Acoustic Emission (AE) for detecting and locating fatigue cracks in metallic structures is widely reported but studies investigating its potential for fatigue crack length estimation are scarce. Crack growth information enables prediction of the remaining useful life of a component using well established fracture mechanics principles. Hence, the prospects of AE for use in structural health monitoring applications would be significantly improved if it could be demonstrated not only as a means of detecting crack growth but also for estimation of crack lengths. A new method for deducing crack length has been developed based on correlations between AE signals generated during fatigue crack growth and corresponding cyclic loads. A model for crack length calculation was derived empirically using AE data generated during fatigue crack growth tests in 2 mm thick SEN aluminium 2014 T6 specimens subject to a tensile stress range of 52 MPa and an R ratio of 0.1. The model was validated using AE data generated independently in separate tests performed with a stress range of 27 MPa. The results showed that predictions of crack lengths over a range of 10 mm to 80 mm can be obtained with the mean of the normalised absolute errors ranging between 0.28 and 0.4. Predictions were also made using existing AE feature-based methods and the results compared to those obtained with the novel approach developed. (paper)

  18. Biomaterial based novel polyurethane adhesives for wood to wood and metal to metal bonding

    Directory of Open Access Journals (Sweden)

    Mitesh Ramanlal Patel

    2009-01-01

    Full Text Available Polyurethane adhesives made from synthetic chemicals are non-biodegradable, costly and difficult to find raw materials from local market. To avoid solid pollution problem, cost effectiveness and easy availability of raw materials, biomaterials based polyurethane adhesives are used in current industrial interest. Direct use of castor oil in polyurethane adhesive gives limited hardness. Modification on active sites of castor oil to utilize double bond of unsaturated fatty acid and carboxyl group yields new modified or activated polyols, which can be utilized for polyurethane adhesive formulation. In view of this, we have synthesized polyurethane adhesives from polyester polyols, castor oil based polyols and epoxy based polyols with Isocyanate adducts based on castor oil and trimethylolpropane. To study the effects of polyurethane adhesive strength (i.e. lap shear strength on wood-to-wood and metal-to-metal bonding through various types of polyols, cross-linking density, isocyanate adducts and also to compare adhesive strength between wood to wood and metal to metal surface. These polyols and polyurethanes were characterized through GPC, NMR and IR-spectroscopy, gel and surface drying time. Thermal stability of PU adhesives was determined under the effect of cross-linking density (NCO/OH ratio. The NCO/OH ratio (1.5 was optimized for adhesives as the higher NCO/OH ratio (2.0 increasing cross-linking density and decreases adhesion. Lower NCO/OH ratio (1.0 provideslow cross-linking density and low strength of adhesives.

  19. Finite element modelling of non-bonded piezo sensors for biomedical health monitoring of bones based on EMI technique

    Science.gov (United States)

    Srivastava, Shashank; Bhalla, Suresh; Madan, Alok; Gupta, Ashok

    2016-04-01

    Extensive research is currently underway across the world for employing piezo sensors for biomedical health monitoring in view of their obvious advantages such as low cost,fast dynamics response and bio-compatibility.However,one of the limitations of the piezo sensor in bonded mode based on the electro-mechanical impedance (EMI) technique is that it can cause harmful effects to the humans in terms of irritation ,bone and skin disease. This paper which is in continuation of the recent demonstration of non-bonded configuration is a step towards simulating and analyzing the non-bonded configuration of the piezo sensor for gauging its effectiveness using FEA software. It has been noted that the conductance signatures obtained in non-bonded mode are significantly close to the conventional bonded configuration, thus giving a positive indication of its field use.

  20. Fracture theory based on the concept of characteristic fracture length of materials

    Institute of Scientific and Technical Information of China (English)

    MUTOH; Yoshiharu

    2009-01-01

    Fracture theory is a classic,but not a well-dealt with,difficulty in solid mechanics. This paper has proposed the concept of characteristic fracture length of materials from the fact that fracture happens with area failure rather than point failure in materials. A unified theory is then proposed,which can be applied both to smooth and defected materials (whether with micro or macro defects). Brittle fracture tests with specimens of different sizes of holes are carried out to examine the fracture theory. It is found that the fracture stresses obtained by experiments agree well with those predicated by the presented fracture theory. Though the brittle fracture is the focus of the paper,the concept of characteristic length can be easily extended to fatigue or other failure problems.

  1. Cleavage of silicon by laser-based shock waves: Interpretation by nanoscopic length scales

    International Nuclear Information System (INIS)

    Cleavage along the weakest Si{1 1 1} cleavage plane is measured by impulsive fracture using surface acoustic waves (SAWs) with steep shock fronts, generated by pulsed laser irradiation and recorded with a laser probe–beam-deflection setup. The theoretical cleavage strength, obtained by ab initio calculations for perfect single-crystal silicon lattices is compared with the strength resulting from an improved Polanyi–Orowan cleavage model. The critical strength of a real silicon crystal, measured by using calibrated elastic surface pulses with shocks, was employed to extract the corresponding critical length scale characterizing the cleavage process on the basis of the modified cleavage model. The extracted length scale of 7 nm can be connected with the size of the microstructural defect initiating failure. Usually stress generating surface defects are responsible for the nucleation of brittle fracture, especially in nanoscale systems with large surface areas.

  2. A Novel Magnetic Bead-based Biosensor Using Flip Chip Bonding Techniques

    Institute of Scientific and Technical Information of China (English)

    Bin Wang; Xiang Chen; Qinghui Jin; Jianlong Zhao; Yuansen Xu

    2006-01-01

    Based on flip-chip packaging, a novel approach towards integrated magnetic bio-separator was designed. The magnetic field and the force on the bead were simulated and analyzed, leading to the optimization of the fabrication parameters of the micro-magnetic unit. The planar coil as an electromagnet was fabricated through electroplating on a single seed layer.The PDMS microfluidic channel was bonded on the inverse side after Si etching. The results presented in this paper provide a novel design and fabrication to approach a microfluidic bio-separation system with magnetic beads.

  3. Finite element study on modification of bracket base and its effects on bond strength

    OpenAIRE

    Shyagali, Tarulatha R.; Bhayya, Deepak P.; Chandralekha B. Urs; Subramaniam, Shashikala

    2015-01-01

    OBJECTIVE: This article aims to analyze the difference in stresses generated in the bracket-cement-tooth system by means of a peel load in single and double-mesh bracket bases using a three-dimensional finite element computer model. MATERIAL AND METHODS: A three-dimensional finite element model of the bracket-cement-tooth system was constructed and consisted of 40,536 bonds and 49,201 finite elements using a commercial mesh generating programmer (ANSYS 7.0). Both single and double-mesh bracke...

  4. Status of non-destructive bunch length measurement based on coherent Cherenkov radiation

    CERN Document Server

    Zhang, Jianbing; Yu, Tiemin; Deng, Haixiao; Shkitov, Dmitry; Shevelev, Mikhail; Naumenko, Gennady; Potylitsyn, Alexander

    2013-01-01

    As a novel non-destructive bunch length diagnostic of the electron beam, an experimental observation of the coherent Cherenkov radiation generated from a dielectric caesium iodide crystal with large spectral dispersion was proposed for the 30MeV femtosecond linear accelerator at Shanghai Institute of Applied Physics (SINAP). In this paper, the theoretical design, the experimental setup, the terahertz optics, the first angular distribution observations of the coherent Cherenkov radiation, and the future plans are presented.

  5. Multi-Length-Scale Morphologies Driven by Mixed Additives in Porphyrin-Based Organic Photovoltaics.

    Science.gov (United States)

    Gao, Ke; Miao, Jingsheng; Xiao, Liangang; Deng, Wanyuan; Kan, Yuanyuan; Liang, Tianxiang; Wang, Cheng; Huang, Fei; Peng, Junbiao; Cao, Yong; Liu, Feng; Russell, Thomas P; Wu, Hongbin; Peng, Xiaobin

    2016-06-01

    A new category of deep-absorbing small molecules is developed. Optimized devices driven by mixed additives show a remarkable short-circuit current of ≈20 mA cm(-2) and a highest power conversion efficiency of 9.06%. A multi-length-scale morphology is formed, which is fully characterized by resonant soft X-ray scattering, high-angle annular dark film image transmission electron microscopy, etc. PMID:27062394

  6. Modeling Wood Fibre Length in Black Spruce (Picea mariana (Mill.) BSP) Based on Ecological Land Classification

    OpenAIRE

    Elisha Townshend; Bharat Pokharel; Art Groot; Doug Pitt; DECH, JEFFERY P.

    2015-01-01

    Effective planning to optimize the forest value chain requires accurate and detailed information about the resource; however, estimates of the distribution of fibre properties on the landscape are largely unavailable prior to harvest. Our objective was to fit a model of the tree-level average fibre length related to ecosite classification and other forest inventory variables depicted at the landscape scale. A series of black spruce increment cores were collected at breast height from trees in...

  7. On Bond Portfolio Management

    OpenAIRE

    Vladislav Kargin

    2002-01-01

    This paper describes a new method of bond portfolio optimization based on stochastic string models of correlation structure in bond returns. The paper shows how to approximate correlation function of bond returns, compute the optimal portfolio allocation using Wiener-Hopf factorization, and check whether a collection of bonds presents arbitrage opportunities.

  8. Length of clustering algorithms based on random walks with an application to neuroscience

    International Nuclear Information System (INIS)

    Highlights: ► Study of the choice of the length used by a clustering algorithm called Walktrap. ► Study of the convergence rate of random walks on graph. ► Description of the cutoff phenomenon for random walks on graph. ► Introduction of a dynamical hierarchical clustering algorithm for finite sequences of graphs. - Abstract: In this paper we show how the notions of conductance and cutoff can be used to determine the length of the random walks in some clustering algorithms. We consider graphs which are globally sparse but locally dense. They present a community structure: there exists a partition of the set of vertices into subsets which display strong internal connections but few links between each other. Using a distance between nodes built on random walks we consider a hierarchical clustering algorithm which provides a most appropriate partition. The length of these random walks has to be chosen in advance and has to be appropriate. Finally, we introduce an extension of this clustering algorithm to dynamical sequences of graphs on the same set of vertices.

  9. Length-based assessment of coral reef fish populations in the main and northwestern Hawaiian islands.

    Science.gov (United States)

    Nadon, Marc O; Ault, Jerald S; Williams, Ivor D; Smith, Steven G; DiNardo, Gerard T

    2015-01-01

    The coral reef fish community of Hawaii is composed of hundreds of species, supports a multimillion dollar fishing and tourism industry, and is of great cultural importance to the local population. However, a major stock assessment of Hawaiian coral reef fish populations has not yet been conducted. Here we used the robust indicator variable "average length in the exploited phase of the population ([Formula: see text])", estimated from size composition data from commercial fisheries trip reports and fishery-independent diver surveys, to evaluate exploitation rates for 19 Hawaiian reef fishes. By and large, the average lengths obtained from diver surveys agreed well with those from commercial data. We used the estimated exploitation rates coupled with life history parameters synthesized from the literature to parameterize a numerical population model and generate stock sustainability metrics such as spawning potential ratios (SPR). We found good agreement between predicted average lengths in an unfished population (from our population model) and those observed from diver surveys in the largely unexploited Northwestern Hawaiian Islands. Of 19 exploited reef fish species assessed in the main Hawaiian Islands, 9 had SPRs close to or below the 30% overfishing threshold. In general, longer-lived species such as surgeonfishes, the redlip parrotfish (Scarus rubroviolaceus), and the gray snapper (Aprion virescens) had the lowest SPRs, while short-lived species such as goatfishes and jacks, as well as two invasive species (Lutjanus kasmira and Cephalopholis argus), had SPRs above the 30% threshold. PMID:26267473

  10. Modulo-p Addition Based Constant Weight Variable Length Prime Codes for SAC-OCDMA Systems

    Directory of Open Access Journals (Sweden)

    Malleswari.M

    2014-01-01

    Full Text Available In this paper, a novel prime code family called constant weight and variable length prime code (CWVLPC is presented. The CWVL prime code is constructed from the basic prime codes which are generated using modulo-p addition. Since the proposed code family possesses very good correlation property (cross correlation equal to zero, the system eliminates the phase induced intensity noise (PIIN and multi user interference (MUI completely. In addition, for any given prime number p, we can generate p number of code families with different length. Further, the weight of the proposed code is kept always equal to one independent of the prime number p and the p number of code families; thus it can simplify the design of encoder/decoder structures of the proposed SAC-OCDMA system. Also, bit error rate performance of the developed code is much better than the commonly used MQC code. To illustrate, for p=17 and an acceptable bit error rate of 10-9, the proposed coding system supports 225 simultaneous users with code length of 289 at an effective source power of -5 dBm.

  11. The influence of size and structure of metal orthodontic bracket base on bond strength on tooth enamel

    Directory of Open Access Journals (Sweden)

    Mitić Vladimir

    2009-01-01

    Full Text Available Introduction. The factors which may influence the bond strength of the applied orthodontic brackets on the tooth surface are the size and structure of the bracket base. Objective. The aim of the paper was to investigate the influence of size and shape of different types of brackets on bond strength on the enamel and analyze the remaining quality of adhesive material on the tooth surface after debonding of orthodontic brackets (adhesive remnant index - ARI. Methods. In this study, three types of metal brackets of different sizes and shapes of Dentaurum manufacturer were used (Utratrimm, Equilibrium 2, Discovery, Dentaurum, Inspringen, Germany. The brackets were applied onto the middle part of the anatomic crowns of buccal surfaces of 30 premolars extracted for orthodontic reasons. In addition, the pre-treatment of teeth by 37% orthophosphoric acid and adhesive material System1+ (Dentaurum, Germany were used. Results. The mean value of the bonded brackets bond strength of Discovery type after debonding was 8.67±0.32 MPa, while the value of the bonded brackets bond strength of Equilibrium 2 type amounted to 8.62±0.22 MPa. The value of the bonded brackets bond strength of Ultratrimm type after debonding was 8.22±0.49 MPa. There were no statistical differences in the values of bond strength regarding all three groups of the investigated orthodontic brackets (F=4.56; p<0.05. Conclusion. The base size and design of metal orthodontic brackets did not play a significant role in bond strength, while the values of ARI index were identical in all three investigated groups.

  12. A Fracture-Based Criterion for Debonding Strength of Adhesive-Bonded Double-Strap Steel Joints

    Directory of Open Access Journals (Sweden)

    Prawit Santisukpotha

    2012-01-01

    Full Text Available This paper addresses the debonding strength of adhesive-bonded double-strap steel joints. A fracture-based criterion was formulated in terms of a stress singularity parameter, i.e., the stress intensity factor, which governs the magnitude of a singular stress field near the joint ends. No existing crack was assumed. A total of 24 steel joint specimens were tested under constant amplitude fatigue loadings at stress ratio of 0.2 and frequency of 2 Hz. The joint stiffness ratio was slightly less than one to control the maximum adhesive stresses at the joint ends. To detect the debonding, a simple and practical technique was developed. The test results showed that the interfacial failure near the steel/adhesive corner was a dominant failure mode. The failure was brittle and the debonding life was governed by the crack initiation stage. The finite element analysis was employed to calculate the stress intensity factors and investigate the effects of the adhesive layer thickness, lap length and joint stiffness ratio on the debonding strength.

  13. Assessment of possible cycle lengths for fully-ceramic micro-encapsulated fuel-based light water reactor concepts

    International Nuclear Information System (INIS)

    The use of TRISO-particle-based dispersion fuel within SiC matrix and cladding materials has the potential to allow the design of extremely safe LWRs with accident-tolerant fuel. This paper examines the feasibility of LWR-like cycle length for such a low enriched uranium fuel with the imposed constraint of strictly retaining the original geometry of the fuel pins and assemblies. The motivation for retaining the original geometry is to provide the ability to incorporate the fuel 'as-is' into existing LWRs while retaining their thermal-hydraulic characteristics. The feasibility of using this fuel is assessed by looking at cycle lengths and fuel failure rates. Other considerations (e.g., safety parameters, etc.) were not considered at this stage of the study. The study includes the examination of different TRISO kernel diameters without changing the coating layer thicknesses. The study shows that a naive use of UO2 results in cycle lengths too short to be practical for existing LWR designs and operational demands. Increasing fissile inventory within the fuel compacts shows that acceptable cycle lengths can be achieved. In this study, starting with the recognized highest packing fraction practically achievable (44%), higher enrichment, larger fuel kernel sizes, and the use of higher density fuels have been evaluated. The models demonstrate cycle lengths comparable to those of ordinary LWRs. As expected, TRISO particles with extremely large kernels are shown to fail under all considered scenarios. In contrast, the designs that do not depart too drastically from those of the nominal NGNP HTR fuel TRISO particles are shown to perform satisfactorily and display a high rate of survival under all considered scenarios. Finally, it is recognized that relaxing the geometry constraint will result in satisfactory cycle lengths even using UO2-loaded TRISO particles-based fuel with enrichment at or below 20 w/o. (authors)

  14. Assessment Of Possible Cycle Lengths For Fully-Ceramic Micro-Encapsulated Fuel-Based Light Water Reactor Concepts

    International Nuclear Information System (INIS)

    The use of TRISO-particle-based dispersion fuel within SiC matrix and cladding materials has the potential to allow the design of extremely safe LWRs with failure-proof fuel. This paper examines the feasibility of LWR-like cycle length for such a low enriched uranium fuel with the imposed constraint of strictly retaining the original geometry of the fuel pins and assemblies. The motivation for retaining the original geometry is to provide the ability to incorporate the fuel 'as-is' into existing LWRs while retaining their thermal-hydraulic characteristics. The feasibility of using this fuel is assessed by looking at cycle lengths and fuel failure rates. Other considerations (e.g., safety parameters, etc.) were not considered at this stage of the study. The study includes the examination of different TRISO kernel diameters without changing the coating layer thicknesses. The study shows that a naive use of UO2 results in cycle lengths too short to be practical for existing LWR designs and operational demands. Increasing fissile inventory within the fuel compacts shows that acceptable cycle lengths can be achieved. In this study, starting with the recognized highest packing fraction practically achievable (44%), higher enrichment, larger fuel kernel sizes, and the use of higher density fuels have been evaluated. The models demonstrate cycle lengths comparable to those of ordinary LWRs. As expected, TRISO particles with extremely large kernels are shown to fail under all considered scenarios. In contrast, the designs that do not depart too drastically from those of the nominal NGNP HTR fuel TRISO particles are shown to perform satisfactorily and display a high rates of survival under all considered scenarios. Finally, it is recognized that relaxing the geometry constraint will result in satisfactory cycle lengths even using UO2-loaded TRISO particles-based fuel with enrichment at or below 20 w/o.

  15. ASSESSMENT OF POSSIBLE CYCLE LENGTHS FOR FULLY-CERAMIC MICRO-ENCAPSULATED FUEL-BASED LIGHT WATER REACTOR CONCEPTS

    Energy Technology Data Exchange (ETDEWEB)

    R. Sonat Sen; Michael A. Pope; Abderrafi M. Ougouag; Kemal Pasamehmetoglu; Francesco Venneri

    2012-04-01

    The use of TRISO-particle-based dispersion fuel within SiC matrix and cladding materials has the potential to allow the design of extremely safe LWRs with failure-proof fuel. This paper examines the feasibility of LWR-like cycle length for such a low enriched uranium fuel with the imposed constraint of strictly retaining the original geometry of the fuel pins and assemblies. The motivation for retaining the original geometry is to provide the ability to incorporate the fuel 'as-is' into existing LWRs while retaining their thermal-hydraulic characteristics. The feasibility of using this fuel is assessed by looking at cycle lengths and fuel failure rates. Other considerations (e.g., safety parameters, etc.) were not considered at this stage of the study. The study includes the examination of different TRISO kernel diameters without changing the coating layer thicknesses. The study shows that a naive use of UO{sub 2} results in cycle lengths too short to be practical for existing LWR designs and operational demands. Increasing fissile inventory within the fuel compacts shows that acceptable cycle lengths can be achieved. In this study, starting with the recognized highest packing fraction practically achievable (44%), higher enrichment, larger fuel kernel sizes, and the use of higher density fuels have been evaluated. The models demonstrate cycle lengths comparable to those of ordinary LWRs. As expected, TRISO particles with extremely large kernels are shown to fail under all considered scenarios. In contrast, the designs that do not depart too drastically from those of the nominal NGNP HTR fuel TRISO particles are shown to perform satisfactorily and display a high rates of survival under all considered scenarios. Finally, it is recognized that relaxing the geometry constraint will result in satisfactory cycle lengths even using UO{sub 2}-loaded TRISO particles-based fuel with enrichment at or below 20 w/o.

  16. 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...

  17. Synthesis of photoresponsive cholesterol-based azobenzene organogels: dependence on different spacer lengths

    OpenAIRE

    Yuchun Ren; Bin Wang; Xiuqing Zhang

    2015-01-01

    A series of azobenzene–cholesterol organogel compounds (M0–M12) with different spacers were designed and synthesized. The molecular structures were confirmed by 1H NMR and 13C NMR spectroscopy. The rapid and reversible photoresponsive properties of the compounds were investigated by UV–vis spectroscopy. Their thermal phase behaviors were studied by DSC. The length of the spacer plays a crucial role in the gelation. Compound M6 is the only one that can gelate in ethanol, isopropanol and 1-buta...

  18. Image steganography based on 2k correction and coherent bit length

    Science.gov (United States)

    Sun, Shuliang; Guo, Yongning

    2014-10-01

    In this paper, a novel algorithm is proposed. Firstly, the edge of cover image is detected with Canny operator and secret data is embedded in edge pixels. Sorting method is used to randomize the edge pixels in order to enhance security. Coherent bit length L is determined by relevant edge pixels. Finally, the method of 2k correction is applied to achieve better imperceptibility in stego image. The experiment shows that the proposed method is better than LSB-3 and Jae-Gil Yu's in PSNR and capacity.

  19. PMMA to SU-8 bonding for polymer based lab-on-a-chip systems with integrated optics

    DEFF Research Database (Denmark)

    Olsen, Brian Bilenberg; Nielsen, Theodor; Clausen, Bjarne Hans; Kristensen, Anders

    2004-01-01

    We present an adhesive bonding technique developed for SU-8 based "lab-on-a-chip"- systems with integrated optical components. Microfluidic channels and optical components (e.g. wave-guides) are defined in SU-8 photoresist on a Pyrex glass substrate. The microfluidic channels are sealed by a second...... Pyrex substrate, bonded on top of the cross-linked SU-8 structure using an inter- mediate layer of 950K molecular weight poly-methylmethacrylate (PMMA). Due to a lower refractive index of PMMA, this bonding technique offers optical waveguiding in the SU-8 structures in combination with good sealing of...

  20. Amide Proton Transfer Imaging of Diffuse Gliomas: Effect of Saturation Pulse Length in Parallel Transmission-Based Technique

    Science.gov (United States)

    Hiwatashi, Akio; Keupp, Jochen; Yamashita, Koji; Kikuchi, Kazufumi; Yoshiura, Takashi; Yoneyama, Masami; Kruiskamp, Marijn J.; Sagiyama, Koji; Takahashi, Masaya; Honda, Hiroshi

    2016-01-01

    In this study, we evaluated the dependence of saturation pulse length on APT imaging of diffuse gliomas using a parallel transmission-based technique. Twenty-two patients with diffuse gliomas (9 low-grade gliomas, LGGs, and 13 high-grade gliomas, HGGs) were included in the study. APT imaging was conducted at 3T with a 2-channel parallel transmission scheme using three different saturation pulse lengths (0.5 s, 1.0 s, 2.0 s). The 2D fast spin-echo sequence was used for imaging. Z-spectrum was obtained at 25 frequency offsets from -6 to +6 ppm (step 0.5 ppm). A point-by-point B0 correction was performed with a B0 map. Magnetization transfer ratio (MTRasym) and ΔMTRasym (contrast between tumor and normal white matter) at 3.5 ppm were compared among different saturation lengths. A significant increase in MTRasym (3.5 ppm) of HGG was found when the length of saturation pulse became longer (3.09 ± 0.54% at 0.5 s, 3.83 ± 0.67% at 1 s, 4.12 ± 0.97% at 2 s), but MTRasym (3.5 ppm) was not different among the saturation lengths in LGG. ΔMTRasym (3.5 ppm) increased with the length of saturation pulse in both LGG (0.48 ± 0.56% at 0.5 s, 1.28 ± 0.56% at 1 s, 1.88 ± 0.56% at 2 s and HGG (1.72 ± 0.54% at 0.5 s, 2.90 ± 0.49% at 1 s, 3.83 ± 0.88% at 2 s). In both LGG and HGG, APT-weighted contrast was enhanced with the use of longer saturation pulses. PMID:27227746

  1. Evaluation of shear bond strength of three different types of artificial teeth to heat cure denture base resin: An in vitro study

    Directory of Open Access Journals (Sweden)

    B Chittaranjan

    2013-01-01

    Conclusion: The results of this study suggest that there were significant differences in shear bond strength among control group and surface treatment groups of denture teeth bonded to heat cure denture base resin.

  2. The Fractal Dimension of River Length Based on the Observed Data

    Directory of Open Access Journals (Sweden)

    Ni Zhihui

    2013-01-01

    Full Text Available Although the phenomenon that strictly meets the constant dimension fractal form in the nature does not exist, fractal theory provides a new way and means for the study of complex natural phenomena. Therefore, we use some variable dimension fractal analysis methods to study river flow discharge. On the basis of the flood flow corresponding to the waterline length, the river of the overall and partial dimensions are calculated and the relationships between the overall and partial dimensions are discussed. The law of the length in section of Chongqing city of Yangtze River is calibrated by using of variable fractal dimension. The results conclude that it does express a second-order accumulated variable-dimensional fractal phenomenon, and the dimension can reflect the degree of the river; the greater dimension, the more the river bend. It has different dimensions at a different location in the same river. In the same river, the larger dimension, the worse flow discharge capacity of the river and the more obvious of the flood will be on the performance.

  3. Handover Management for VoWLAN Based on Estimation of AP Queue Length and Frame Retries

    Science.gov (United States)

    Niswar, Muhammad; Kashihara, Shigeru; Tsukamoto, Kazuya; Kadobayashi, Youki; Yamaguchi, Suguru

    Switching a communication path from one Access Point (AP) to another in inter-domain WLANs is a critical challenge for delay-sensitive applications such as Voice over IP (VoIP) because communication quality during handover (HO) is more likely to be deteriorated. To maintain VoIP quality during HO, we need to solve many problems. In particular, in bi-directional communication such as VoIP, an AP becomes a bottleneck with the increase of VoIP calls. As a result, packets queued in the AP buffer may experience a large queuing delay or packet losses due to increase in queue length or buffer overflow, thereby causing the degradation of VoIP quality for the Mobile Nodes (MNs) side. To avoid this degradation, MNs need to appropriately and autonomously execute HO in response to the change in wireless network condition, i.e., the deterioration of wireless link quality and the congestion state at the AP. In this paper, we propose an HO decision strategy considering frame retries, AP queue length, and transmission rate at an MN for maintaining VoIP quality during HO. Through simulation experiments, we then show that our proposed method can maintain VoIP quality during HO by properly detecting the wireless network condition.

  4. Structure-Based Design of a Br Halogen Bond at the Complex Interface of the Human Placental HtrA1 PDZ Domain with Its Heptapeptide Ligand.

    Science.gov (United States)

    Dou, Shuo-Fen; Liu, Hong; Cao, Tong-Mei; Wen, Qing-Li; Li, Jie; Shao, Qing-Chun

    2016-04-01

    The shock-induced serine protease HtrA1 is a potential regulator of human placenta development during pregnancy. The protein contains a functional PDZ domain that has been solved in complex with a phage display-derived heptapeptide: Asp-6 Ser-5 Arg-4 Ile-3 Trp-2 Trp-1 Val0 . In this study, a rationally designed halogen bond was introduced to the domain-peptide complex based on its NMR structure in solution. We computationally compared the stabilization energies and hindrance effects due to the presence of different halogens X (X = F, Cl, Br, or I), using a hybrid quantum mechanics/molecular mechanics (QM/MM) approach, and found that the Br atom could considerably promote the peptide binding free energy (ΔΔG = -5.2 kcal/mol). Fluorescence assays confirmed that the peptide affinity to the HtrA1 PDZ domain was improved by approximately sevenfold upon bromination. Structural analysis identified a geometrically perfect halogen bond between the Br atom of the peptide Trp-1 residue and the carbonyl O atom of the HtrA1 Ile385 residue, with a bond length and an interaction energy of d = 3.20 Å and ΔE = -3.7 kcal/mol, respectively. PMID:26972470

  5. Mineral-Based Bonding of Carbon FRP to Strengthen Concrete Structures

    DEFF Research Database (Denmark)

    Täljsten, Björn; Blanksvärd, T.

    2007-01-01

    therefore be strengthened before it can be used. Different methods to retrofit with FRPs also exist, such as bonding of plates or sheets, with their use of epoxy as the bonding agent being the commonality. Epoxy provides very good bond to concrete and is durable and resistant to most environments in the...

  6. Shear Bond Strengths of Methacrylate- and Silorane-based Composite Resins to Feldspathic Porcelain using Different Adhesive Systems.

    Science.gov (United States)

    Mohammadi, Narmin; Shakur Shahabi, Maryam; Kimyai, Soodabeh; Pournagi Azar, Fatemeh; Ebrahimi Chaharom, Mohammad Esmaeel

    2015-01-01

    Background and aims. Use of porcelain as inlays, laminates and metal-ceramic and all-ceramic crowns is common in modern dentistry. The high cost of ceramic restorations, time limitations and difficulty of removing these restorations result in delays in replacing fractured restorations; therefore, their repair is indicated. The aim of the present study was to compare the shear bond strengths of two types of composite resins (methacrylate-based and silorane-based) to porcelain, using three adhesive types. Materials and methods. A total of 156 samples of feldspathic porcelain surfaces were prepared with air-abrasion and randomly divided into 6 groups (n=26). In groups 1-3, Z250 composite resin was used to repair porcelain samples with Ad-per Single Bond 2 (ASB), Clearfil SE Bond (CSB) and Silorane Adhesive (SA) as the bonding systems, afterapplication of silane, respectively. In groups 4-6, the same adhesives were used in the same manner with Filtek Silorane composite resin. Finally, the shear bond strengths of the samples were measured. Two-way ANOVA and post hoc Tukey tests were used to compare bond strengths between the groups with different adhesives at P<0.05. Results. There were significant differences in the mean bond strength values in terms of the adhesive type (P<0.001). In addition, the interactive effect of the adhesive type and composite resin type had no significant effect on bond strength (P=0.602). Conclusion. The results of the present study showed the highest repair bond strength values to porcelain with both composite resin types with the application of SA and ASB. PMID:26697151

  7. Shear Bond Strengths of Methacrylate- and Silorane-based Composite Resins to Feldspathic Porcelain using Different Adhesive Systems

    Science.gov (United States)

    Mohammadi, Narmin; Shakur Shahabi, Maryam; Kimyai, Soodabeh; Pournagi Azar, Fatemeh; Ebrahimi Chaharom, Mohammad Esmaeel

    2015-01-01

    Background and aims. Use of porcelain as inlays, laminates and metal-ceramic and all-ceramic crowns is common in modern dentistry. The high cost of ceramic restorations, time limitations and difficulty of removing these restorations result in delays in replacing fractured restorations; therefore, their repair is indicated. The aim of the present study was to compare the shear bond strengths of two types of composite resins (methacrylate-based and silorane-based) to porcelain, using three adhesive types. Materials and methods. A total of 156 samples of feldspathic porcelain surfaces were prepared with air-abrasion and randomly divided into 6 groups (n=26). In groups 1-3, Z250 composite resin was used to repair porcelain samples with Ad-per Single Bond 2 (ASB), Clearfil SE Bond (CSB) and Silorane Adhesive (SA) as the bonding systems, afterapplication of silane, respectively. In groups 4-6, the same adhesives were used in the same manner with Filtek Silorane composite resin. Finally, the shear bond strengths of the samples were measured. Two-way ANOVA and post hoc Tukey tests were used to compare bond strengths between the groups with different adhesives at P<0.05. Results. There were significant differences in the mean bond strength values in terms of the adhesive type (P<0.001). In addition, the interactive effect of the adhesive type and composite resin type had no significant effect on bond strength (P=0.602). Conclusion. The results of the present study showed the highest repair bond strength values to porcelain with both composite resin types with the application of SA and ASB. PMID:26697151

  8. REALITY CATEGORIZATION IN PROTO-INDO-EUROPEAN WORLD MAP (BASED ON COGNITIVE BONDS BREATH-LIFE AND BREATH-DEATH)

    OpenAIRE

    Latu Maxim Nikolayevich

    2012-01-01

    The research is devoted to the peculiarities of structure and cognitive bonds formation within the Proto-Indo-European world map, reflecting the views on reality categorization, illustrated by cognitive bonds of the concept BREATH. The research is based on the methods of etymological and derivational analysis, linguistic and cognitive modeling, concept analysis and frame modeling. The possibility of Proto-Indo-European concepts structure and content reconstruction is considered as well as the...

  9. Bond strength of acrylic teeth to denture base resin after various surface conditioning methods before and after thermocycling

    NARCIS (Netherlands)

    Saavedra, Guilherme; Valandro, Luz Felipe; Leite, Fabiola Pessoa; Amaral, Regina; Oezcan, Mutlu; Bottino, Marco A.; Kimpara, Estevao T.

    2007-01-01

    This study aimed to evaluate the durability of adhesion between acrylic teeth and denture base acrylic resin. The base surfaces of 24 acrylic teeth were flatted and submitted to 4 surface treatment methods: SM1 (control): No SM; SM2: application of a methyl methacrylate-based bonding agent (Vitacol)

  10. Effects of diffraction and screen size on CTR based bunch length measurements

    International Nuclear Information System (INIS)

    Coherent transition radiation (CTR) is now well established as one of basic tools to measure electron bunches on a subpicosecond scale. However, a series of experiments has demonstrated that suppression of CTR spectra at low frequencies, occurring in practice, leads to a great uncertainty in the bunch length, determination. In addition to known sources of suppression, it was recently found (1,2) that the size of a screen used to produce transition radiation (TR) can be a factor strongly affecting the spectrum. In this paper it has been calculated TR spectra emitted by a relativistic electron from a finite-size metallic screen and influenced by diffraction on apertures in environment and collecting optics

  11. Prediction of Length-of-day Variations Based on Gaussian Processes

    Science.gov (United States)

    Lei, Yu; Zhao, Dan-Ning; Gao, Yu-Ping; Cai, Hong-Bing

    2015-07-01

    Due to the complicated time-varying characteristics of the length-of-day (LOD) variations, the accuracies of traditional linear models for the prediction of the LOD variations, such as the least squares extrapolation model, the time-series analysis model and so on, cannot satisfy the requirements for the real-time and high-precision applications. In this paper, a new machine learning algorithm - the Gaussian process (GP) model is employed to forecast the LOD variations. Its prediction accuracy is analyzed and compared with those of the back propagation neural networks (BPNN), general regression neural networks (GRNN), and the Earth Orientation Parameters Prediction Comparison Campaign (EOP PCC). The results demonstrate that the application of the GP model to the prediction of the LOD variations is efficient and feasible.

  12. A LASER INTERFERENCE-BASED SURFACE TREATMENT OF AL AND CARBON FIBER POLYMER COMPOSITES FOR ENHANCED BONDING

    Energy Technology Data Exchange (ETDEWEB)

    Sabau, Adrian S [ORNL; Warren, Charles David [ORNL; ERDMAN III, DONALD L [ORNL; Daniel, Claus [ORNL; Skszek, Timothy [Vehma International of American, Inc.; Caruso-Dailey, Mary M. [3M Company

    2016-01-01

    Due to its increased use in the automotive and aerospace industries, joining of Carbon Fiber-reinforced Polymer matrix Composites (CFPC) to metals demands enhanced surface preparation and control of surface morphology prior to joining. In this study, surfaces of both composite and aluminum were prepared for joining using a new laser based technique, in which the laser interference power profile was created by splitting the beam and guiding those beams to the sample surface by overlapping each other with defined angles to each other. Results were presented for the overlap shear testing of single-lap joints made with Al 5182 and CFPC specimens whose surfaces prepared by (a) surface abrasion and solvent cleaning; and (b) laser-interference structured surfaces by rastering with a 4 mm laser beam at approximately 3.5 W power. CFPC specimens of T700S carbon fiber, Prepreg T70 epoxy, 4 or 5 ply thick, 0/90o plaques were used. Adhesive DP810 was used to bond Al and CFPC. The bondline was 0.25mm and the bond length was consistent among all joints produced. First, the effect of the laser speed on the joint performance was evaluated by laser-interference structure Al and CFPC surfaces with a beam angle of 3o and laser beam speeds of 3, 5, and 10 mm/s. For this sensitivity study, 3 joint specimens were used per each joint type. Based on the results for minimum, maximum, and mean values for the shear lap strength and maximum load for all the 9 joint types, two joint types were selected for further evaluations. Six additional joint specimens were prepared for these two joint types in order to obtain better statistics and the shear test data was presented for the range, mean, and standard deviation. The results for the single-lap shear tests obtained for six joint specimens, indicate that the shear lap strength, maximum load, and displacement at maximum load for those joints made with laser-interference structured surfaces were increased by approximately 14.8%, 16%, and 100

  13. Concept of chemical bond and aromaticity based on quantum information theory

    CERN Document Server

    Szilvási, T; Legeza, Ö

    2015-01-01

    Quantum information theory (QIT) emerged in physics as standard technique to extract relevant information from quantum systems. It has already contributed to the development of novel fields like quantum computing, quantum cryptography, and quantum complexity. This arises the question what information is stored according to QIT in molecules which are inherently quantum systems as well. Rigorous analysis of the central quantities of QIT on systematic series of molecules offered the introduction of the concept of chemical bond and aromaticity directly from physical principles and notions. We identify covalent bond, donor-acceptor dative bond, multiple bond, charge-shift bond, and aromaticity indicating unified picture of fundamental chemical models from ab initio.

  14. Toughness behavior in roll-bonded laminates based on AA6061/SiCp composites

    Energy Technology Data Exchange (ETDEWEB)

    Hosseini Monazzah, A. [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11155-9466, Tehran (Iran, Islamic Republic of); Pouraliakbar, H. [Department of Advanced Materials, WorldTech Scientific Research Center (WT-SRC), Tehran (Iran, Islamic Republic of); Bagheri, R., E-mail: rezabagh@sharif.edu [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11155-9466, Tehran (Iran, Islamic Republic of); Seyed Reihani, S.M. [Department of Materials Science and Engineering, Sharif University of Technology, P.O. Box 11155-9466, Tehran (Iran, Islamic Republic of)

    2014-03-01

    Lamination has been shown to enhance damage tolerance of discontinuously reinforced aluminum (DRA) composites. Doing this technique, DRA layers could be laminated with ductile interlayers. In this research, two types of laminates consisting similar DRA layers and a ductile AA1050 interlayer were fabricated by means of hot roll-bonding. AA6061–5 vol% SiCp and AA6061–15 vol% SiCp composites were considered as exterior layers. Different rolling strains, was applied to control the interfacial strength which was examined by shear test. Toughness behavior of laminates was evaluated by three-point bending test in crack-divider orientation. Based on obtained results, the plastic deformation of ductile interlayer and delamination are challenging toughening mechanisms which were influenced by the degree of interfacial bonding and ceramic particle content. An increment in reinforcement content alters the toughness behavior of laminates in the way that the governing mechanism in laminates containing 5 vol% SiCp is interfacial adhesion since in laminates having 15 vol% SiCp the dominant mechanism is AA1050 deformability. Meanwhile, optical and scanning electron microscopy observations proved the importance of toughening mechanisms in each type of materials. Also, shear test results revealed that the interfacial strength of laminates increases by the number of rolling passes and deteriorated by higher reinforcement contents.

  15. Toughness behavior in roll-bonded laminates based on AA6061/SiCp composites

    International Nuclear Information System (INIS)

    Lamination has been shown to enhance damage tolerance of discontinuously reinforced aluminum (DRA) composites. Doing this technique, DRA layers could be laminated with ductile interlayers. In this research, two types of laminates consisting similar DRA layers and a ductile AA1050 interlayer were fabricated by means of hot roll-bonding. AA6061–5 vol% SiCp and AA6061–15 vol% SiCp composites were considered as exterior layers. Different rolling strains, was applied to control the interfacial strength which was examined by shear test. Toughness behavior of laminates was evaluated by three-point bending test in crack-divider orientation. Based on obtained results, the plastic deformation of ductile interlayer and delamination are challenging toughening mechanisms which were influenced by the degree of interfacial bonding and ceramic particle content. An increment in reinforcement content alters the toughness behavior of laminates in the way that the governing mechanism in laminates containing 5 vol% SiCp is interfacial adhesion since in laminates having 15 vol% SiCp the dominant mechanism is AA1050 deformability. Meanwhile, optical and scanning electron microscopy observations proved the importance of toughening mechanisms in each type of materials. Also, shear test results revealed that the interfacial strength of laminates increases by the number of rolling passes and deteriorated by higher reinforcement contents

  16. Impact-acoustics-based health monitoring of tile-wall bonding integrity using principal component analysis

    Science.gov (United States)

    Tong, F.; Tso, S. K.; Hung, M. Y. Y.

    2006-06-01

    The use of the acoustic features extracted from the impact sounds for bonding integrity assessment has been extensively investigated. Nonetheless, considering the practical implementation of tile-wall non-destructive evaluation (NDE), the traditional defects classification method based directly on frequency-domain features has been of limited application because of the overlapping feature patterns corresponding to different classes whenever there is physical surface irregularity. The purpose of this paper is to explore the clustering and classification ability of principal component analysis (PCA) as applied to the impact-acoustics signature in tile-wall inspection with a view to mitigating the adverse influence of surface non-uniformity. A clustering analysis with signature acquired on sample slabs shows that impact-acoustics signatures of different bonding quality and different surface roughness are well separated into different clusters when using the first two principal components obtained. By adopting as inputs the feature vectors extracted with PCA applied, a multilayer back-propagation artificial neural network (ANN) classifier is developed for automatic health monitoring and defects classification of tile-walls. The inspection results obtained experimentally on the prepared sample slabs are presented and discussed, confirming the utility of the proposed method, particularly in dealing with tile surface irregularity.

  17. Mathematical analysis of marine pipeline leakage monitoring system based on coherent OTDR with improved sensor length and sampling frequency

    Science.gov (United States)

    Pnev, A. B.; Zhirnov, A. A.; Stepanov, K. V.; Nesterov, E. T.; Shelestov, D. A.; Karasik, V. E.

    2015-01-01

    A system based on coherent optical time domain reflectometry (OTDR) for subsea pipeline monitoring is described. The fiber sensor length is increased using erbium-doped fiber amplifier (EDFA) cascades. The sampling frequency is increased by dividing the fiber sensor into separate sensitive areas, with parallel scanning. The calculation of the erbium amplifier cascade spontaneous noise influence on the signal-to-noise ratio (SNR) is carried out.

  18. Flame Length

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — Flame length was modeled using FlamMap, an interagency fire behavior mapping and analysis program that computes potential fire behavior characteristics. The tool...

  19. PMMA to SU-8 Bonding for Polymer Based Lab-on -a-chip Systems with Integrated Optics

    DEFF Research Database (Denmark)

    Clausen, Bjarne

    2003-01-01

    An adhesive bonding technique for wafer-level sealing of SU-8 based lab-on-a-chip microsystems with integrated optical components is presented. Microfluidic channels and optical components, e.g. waveguides, are fabricated in cross-linked SU-8 and sealed with a Pyrex glass substrate by means of an...... strength of 16 MPa is achieved at bonding temperatures between 110 oC and 120oC, at a bonding force of 2000 N on a 4-inch wafer. The optical propagation loss of multi-mode 10ym (thickness)x 30ym (width)SU-8 waveguides is measured. The propagation loss in PMMA bonded waveguide struc-tures is more than 5 d...

  20. Some considerations about bond indices in non-orthogonal bases and the MO calculation of valence and oxidation number

    International Nuclear Information System (INIS)

    In order to guarantee the desired invariance properties of bond indices, the importance of expliciting the tensor character of the matrices concerned, so as to deal with a contraction in the tensor sense between a covariant index and a contravariant one is shown. An MO valence definition using Wiberg's indices is generalized to non-orthogonal bases and a straightforward definition of oxidation numbers is proposed. IEH calculations of their magnitudes for some appropriate examples are performed: they emphasize the role of 'secondary' bonds in N and C-containing compounds; the hydrogen behaviour in half-bonds and strong H-bonds is satisfactorily accounted for; valence and oxidation number values are assigned to Fe, Co and Ni in a few complexes. (Author)

  1. Dentin bonding performance using Weibull statistics and evaluation of acid-base resistant zone formation of recently introduced adhesives.

    Science.gov (United States)

    Guan, Rui; Takagaki, Tomohiro; Matsui, Naoko; Sato, Takaaki; Burrow, Michael F; Palamara, Joseph; Nikaido, Toru; Tagami, Junji

    2016-07-30

    Dentin bonding durability of recently introduced dental adhesives: Clearfil SE Bond 2 (SE2), Optibond XTR (XTR), and Scotchbond Universal (SBU) was investigated using Weibull analysis as well as analysis of the micromorphological features of the acid-base resistant zone (ABRZ) created for the adhesives. The bonding procedures of SBU were divided into three subgroups: self-etch (SBS), phosphoric acid (PA) etching on moist (SBM) or dry dentin (SBD). All groups were thermocycled for 0, 5,000 and 10,000 cycles followed by microtensile bond strength testing. Acid-base challenge was undertaken before SEM and TEM observations of the adhesive interface. The etch-and-rinse method with SBU (SBM and SBD) created inferior interfaces on the dentin surface which resulted in reduced bond durability. ABRZ formation was detected with the self-etch adhesive systems; SE2, XTR and SBS. In the PA etching protocols of SBM and SBD, a thick hybrid layer but no ABRZ was detected, which might affect dentin bond durability. PMID:27335136

  2. A review of the hybrid techniques for the fabrication of hard magnetic microactuators based on bonded magnetic powders

    International Nuclear Information System (INIS)

    Polymer composites based on permanent magnetic bonded powders exhibit immense potential for applications in microactuators and sensors with magnetic performances comparable to their fully dense counterparts. While fabrication and integration of magnetic devices based on bonded magnetic powders is challenging via conventional deposition and electrochemical growth techniques, hybrid fabrication offers a promising alternative. This paper presents the evolution of permanent magnetic materials into bonded magnetic powders, the magnetic performance figures of merit of permanent magnetic materials significant for the design and manufacture of polymer based sensors and actuators. A review of the hybrid fabrication techniques such as replica molding, squeegee coating, spin casting etc are reported. Critical factors affecting the fabrication of polymer magnetic composites such as filler particle size and effect of magnetic field during fabrication are discussed. Prior art based on polymer magnetic composites for the fabrication of hard magnetic films and hard magnetic actuators are presented. (paper)

  3. Genetic Variability in Rhizoctonia solani Isolated from Vitis vinifera Based on Amplified Fragment Length Polymorphism

    Directory of Open Access Journals (Sweden)

    Amparo Meza-Moller

    2011-01-01

    Full Text Available Problem statement: Rhizoctonia solani is a potential grapevine pathogen. In order to develop effective methods of control, it is necessary to document its genetic diversity. Approach: The objective of this study was to analyze the genetic variability of R. solani isolated from the rhizosphere of ungrafted V. vinifera var. perlette seedless planted in Sonora, Mexico using Amplified Fragment Length Polymorphism (AFLP. Results: In the selective amplification using eight primer combinations we obtained a total of 446 AFLP markers with a 100% polymorphism. Out of 41 isolates, 36 different AFLP patterns were observed and five were replicates of the same pattern. The dendrogram shows inter- and intrapopulation similarity indexes of 0.26, 0.98 and 0.31, 0.98, respectively. Six groups emerged from the principal components analysis, five of which were clearly defined, while the other one was spread out. Conclusion: We conclude that R. solani growing in Sonoran vineyards shows a high degree of genetic variability, even under similar environmental conditions.

  4. Wollastonite based-Chemically Bonded Phosphate Ceramics with lead oxide contents under gamma irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Colorado, H.A., E-mail: hcoloradolopera@ucla.edu [University of California, Materials Science and Engineering Department, Los Angeles, CA (United States); Universidad de Antioquia, Mechanical Engineering Department, Medellin (Colombia); Pleitt, J. [Missouri University of Science and Technology, Nuclear Engineering Department, MO (United States); Hiel, C. [Composite Support and Solutions Inc., San Pedro, CA (United States); MEMC, University of Brussels (VUB), Brussels (Belgium); Yang, J.M.; Hahn, H.T. [University of California, Materials Science and Engineering Department, Los Angeles, CA (United States); Castano, C.H. [Missouri University of Science and Technology, Nuclear Engineering Department, MO (United States)

    2012-06-15

    Highlights: Black-Right-Pointing-Pointer The effect of PbO on the attenuation coefficient of Wollastonite based-CBPCs is presented. Black-Right-Pointing-Pointer The effect of PbO on the compressive strength and setting time of Wollastonite based-CBPCs is presented. Black-Right-Pointing-Pointer The attenuation coefficient of the CBPC was improved (between 32% to 193.8%) by the addition of Pb. - Abstract: The shielding properties to gamma rays as well as the effect of lead concentration incorporated into Chemically Bonded Phosphate Ceramics (CBPCs) composites are presented. The Wollastonite-based CBPC was fabricated by mixing a patented aqueous phosphoric acid formulation with Wollastonite powder. CBPC has been proved to be good structural material, with excellent thermal resistant properties, and research already showed their potential for radiation shielding applications. Wollastonite-based CBPC is a composite material itself with several crystalline and amorphous phases. Irradiation experiments were conducted on different Wollastonite-based CBPCs with lead oxide. Radiation shielding potential, attenuation coefficients in a broad range of energies pertinent to engineering applications and density experiments showing the effect of the PbO additions (to improve gamma shielding capabilities) are also presented. Microstructure was identified by using scanning electron microscopy and X-ray diffraction.

  5. Synthesis and characterization of zirconium diboride precursor based on polycentric bridge bonds

    International Nuclear Information System (INIS)

    Zirconium diboride (ZrB2) is one of the most important ultrahigh temperature ceramics (UHTCs). ZrB2 precursor was synthesized with bis(cyclopentadienyl)zirconium dihydride (Cp2ZrH2) and borane-dimethyl sulfide complex (BH3·S(CH3)2). The influences of molar ratio of reactants and reaction temperature on the solubility of the as-synthesized precursors were investigated. The molecular structure of the precursor, pyrolysis behavior, and the composition of the derived ceramics were investigated by X-ray photoelectron spectroscopy (XPS), Fourier Transformed Infrared Spectroscopy (FT IR), Raman Spectroscopy (RMS), 1H Nuclear Magnetic Resonance Spectroscopy (1H NMR), 11B Nuclear Magnetic Resonance Spectroscopy (11B NMR), Thermogravimetric-Mass Spectroscopy (TG-MS), X-ray Diffraction (XRD), and Scanning Electron Microscopy (SEM), respectively. The results showed that, the precursor was an oligomer based on Zr–H–B polycentric bridge bonds with molecular weight of 750 and formula as (Cp2Zr(BH4)2)3. The precursor would probably further polymerize under vacuum or at high temperature and lead to an insoluble polymer. The ceramic yield of the precursor at 1000 °C was around 66% under N2 atmosphere. After pyrolyzed at 1800 °C, the derived ceramics were composed of h-ZrB2, ZrC, and free carbon with a formula as ZrB1.38C2.18. - Highlights: • ZrB2 precursor based on Zr–H–B polycentric bridge bonds was synthesized. • The ceramic yield of the precursor at 1000 °C was around 66% under N2 atmosphere. • After pyrolyzed at 1800 °C, the derived ceramics were composed of h-ZrB2, ZrC and free carbon with a formula as ZrB1.38C2.18

  6. Performance Characterization of Micromachined Inductive Suspensions Based on 3D Wire-Bonded Microcoils

    Directory of Open Access Journals (Sweden)

    Zhiqiu Lu

    2014-12-01

    Full Text Available We present a comprehensive experimental investigation of a micromachined inductive suspension (MIS based on 3D wire-bonded microcoils. A theoretical model has been developed to predict the levitation height of the disc-shaped proof mass (PM, which has good agreement with the experimental results. The 3D MIS consists of two coaxial wire-bonded coils, the inner coil being used for levitation, while the outer coil for the stabilization of the PM. The levitation behavior is mapped with respect to the input parameters of the excitation currents applied to the levitation and stabilization coil, respectively: amplitude and frequency. At the same time, the levitation is investigated with respect to various thickness values (12.5 to 50 μm and two materials (Al and Cu of the proof mass. An important characteristic of an MIS, which determines its suitability for various applications, such as, e.g., micro-motors, is the dynamics in the lateral direction. We experimentally study the lateral stabilization force acting on the PM as a function of the linear displacement. The analysis of this dependency allows us to define a transition between stable and unstable levitation behavior. From an energetic point of view, this transition corresponds to the local maximum of the MIS potential energy. 2D simulations of the potential energy help us predict the location of this maximum, which is proven to be in good agreement with the experiment. Additionally, we map the temperature distribution for the coils, as well as for the PM levitated at 120 μm, which confirms the significant reduction of the heat dissipation in the MIS based on 3D microcoils compared to the planar topology.

  7. Solid-state Diffusion Bonding of Candidate Fe-base and Ni-base Alloys for the Application of S-CO2 Cycle Heat Exchanger

    International Nuclear Information System (INIS)

    To achieve efficient heat transfer, compact type heat exchangers, such as printed circuit or plate fin type heat exchanger, are considered for intermediate heat exchangers (IHXs). Solid-state diffusion bonding (DB) is one of key issues for joining the thin metal sheets with flow passages that are either machined or photo-chemically etched. In this study, diffusion bonding was performed for the candidate Fe-base and Ni-base alloys. Tensile properties of the as-bonded were compared with the as-received and characteristics of the aged in high temperature S-CO2 environment were discussed. Studies on diffusion bonding of candidate alloys for the application of super-critical CO2 cycle were carried out. Strength ratios were close to 1 for Fe-base alloys (F91, SS 316H, and SS 347H), while those of Ni-base alloys (Alloy 600, Alloy 690) and Fe-Ni-Cr alloy (Incoloy 800HT) were somewhat decreased to about 0.8 due to the planar grain boundary and precipitates formed along the bond-line. After exposure in high temperature S-CO2 environment for 1000 h, mechanical properties were not changed substantially and the location of the failure was still in the gauge section away from the bond-line for most alloys. Thus, bond-line which plays a role as grain boundary is thought to have superior corrosion and carburization resistance comparable to that of parent matrix

  8. The Influence of No-Primer Adhesives and Anchor Pylons Bracket Bases on Shear Bond Strength of Orthodontic Brackets

    Directory of Open Access Journals (Sweden)

    Andrea Scribante

    2013-01-01

    Full Text Available Objective. The aim of this study was to compare the shear bond strength (SBS and adhesive remnant index (ARI scores of no-primer adhesives tested with two different bracket bases. Materials and Methods. 120 bovine permanent mandibular incisors were divided into 6 groups of 20 specimens. Two brackets (ODP with different bracket bases (anchor pylons and 80-gauge mesh were bonded to the teeth using a conventional adhesive (Transbond XT and two different no-primer adhesive (Ortho Cem; Heliosit systems. Groups were tested using an instron universal testing machine. SBS values were recorded. ARI scores were measured. SEM microphotographs were taken to evaluate the pattern of bracket bases. Statistical analysis was performed. ANOVA and Tukey tests were carried out for SBS values, whereas a chi-squared test was applied for ARI scores. Results. Highest bond strength values were reported with Transbond XT (with both pad designs, Ortho Cem bonded on anchor pylons and Heliosit on 80-gauge mesh. A higher frequency of ARI score of “3” was reported for Transbond XT groups. Other groups showed a higher frequency of ARI score “2” and “1.” Conclusion. Transbond XT showed the highest shear bond strength values with both pad designs.

  9. Experiment-Based Sensitivity Analysis of Scaled Carbon-Fiber-Reinforced Elastomeric Isolators in Bonded Applications

    Directory of Open Access Journals (Sweden)

    Farshad Hedayati Dezfuli

    2016-01-01

    Full Text Available Fiber-reinforced elastomeric isolators (FREIs are a new type of elastomeric base isolation systems. Producing FREIs in the form of long laminated pads and cutting them to the required size significantly reduces the time and cost of the manufacturing process. Due to the lack of adequate information on the performance of FREIs in bonded applications, the goal of this study is to assess the performance sensitivity of 1/4-scale carbon-FREIs based on the experimental tests. The scaled carbon-FREIs are manufactured using a fast cold-vulcanization process. The effect of several factors including the vertical pressure, the lateral cyclic rate, the number of rubber layers, and the thickness of carbon fiber-reinforced layers are explored on the cyclic behavior of rubber bearings. Results show that the effect of vertical pressure on the lateral response of base isolators is negligible. However, decreasing the cyclic loading rate increases the lateral flexibility and the damping capacity. Additionally, carbon fiber-reinforced layers can be considered as a minor source of energy dissipation.

  10. An Ancient Relation between Units of Length and Volume Based on a Sphere

    OpenAIRE

    Zapassky, Elena; Gadot, Yuval; Finkelstein, Israel; Benenson, Itzhak

    2012-01-01

    The modern metric system defines units of volume based on the cube. We propose that the ancient Egyptian system of measuring capacity employed a similar concept, but used the sphere instead. When considered in ancient Egyptian units, the volume of a sphere, whose circumference is one royal cubit, equals half a hekat. Using the measurements of large sets of ancient containers as a database, the article demonstrates that this formula was characteristic of Egyptian and Egyptian-related pottery v...

  11. Tetrel bonds between PySiX3 and some nitrogenated bases: Hybridization, substitution, and cooperativity.

    Science.gov (United States)

    Liu, Mingxiu; Li, Qingzhong; Li, Wenzuo; Cheng, Jianbo

    2016-04-01

    Ab initio calculations have been performed to study the influence of hybridization, substitution, and cooperativity on the tetrel bond in the complexes of PySiX3 (Py=pyridine and X=halogen). The tetrel bond becomes stronger in the order of p-PySiF3⋯NCH(sp)CSD research. PMID:26905207

  12. Innovations in bonding to zirconia-based materials. Part II: focusing on chemical interactions

    NARCIS (Netherlands)

    M.N. Aboushelib; H. Mirmohamadi; J.P. Matinlinna; E. Kukk; H.F. Ounsi; Z. Salameh

    2009-01-01

    Objectives: The zirconia-resin bond strength was enhanced using novel engineered zirconia primers in combination with selective infiltration etching as a surface pre-treatment. The aim of this study was to evaluate the effect of artificial aging on the chemical stability of the established bond and

  13. The Effect of Length of Exposure to Computer-based Vocabulary Activities on Young Iranian EFL Learners’ Vocabulary Gain

    OpenAIRE

    Karim Sadeghi; Masoumeh Dousti

    2014-01-01

    In recent years, research in the area of CALL and its role on teaching foreign languages has gained a strong foothold. This study was anattempt to explore the effectiveness of CALL technology in comparison to traditional book-based approach in teaching vocabulary to young Iranian EFL learners. As this study addressed young learners in an EFL context, it was supposed that time factor would play a crucial role in this regard. Hence, attending to the possible role of length of exposure to CALL t...

  14. Solid-liquid state pressure bonding of Si3N4 ceramics with aluminum based alloys and its mechanism

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Solid-liquid state pressure bonding of Si3N4 ceramics with aluminum based alloys, which contain a small amount of intermetallic compounds Al3Ti or Al3Zr, was investigated. With this new method, the heat resistant properties of the bonding zone metal are improved, and the joints' strengths at high temperature is increased. The joints' shear strength at room temperature and at 600  ℃ reach 126~133  MPa and 32~34  MPa, respectively, with suitable bonding pressure. The reaction between aluminum and Si3N4 ceramics, which produces Al-Si-N-O type compounds is the dominant interfacial reaction, while the reactions between the second active element Ti or Zr in the aluminum based alloys and Si3N4 ceramics also occur to some extend.

  15. Development and Characterization of the Bonding and Integration Technologies Needed for Fabricating Silicon Carbide Based Injector Components

    Science.gov (United States)

    Halbig,Michael C.; Singh, Mrityunjay

    2008-01-01

    Advanced ceramic bonding and integration technologies play a critical role in the fabrication and application of silicon carbide based components for a number of aerospace and ground based applications. One such application is a lean direct injector for a turbine engine to achieve low NOx emissions. Ceramic to ceramic diffusion bonding and ceramic to metal brazing technologies are being developed for this injector application. For the diffusion bonding technology, titanium interlayers (coatings and foils) were used to aid in the joining of silicon carbide (SiC) substrates. The influence of such variables as surface finish, interlayer thickness, and processing time were investigated. Electron microprobe analysis was used to identify the reaction formed phases. In the diffusion bonds, an intermediate phase, Ti5Si3Cx, formed that is thermally incompatible in its thermal expansion and caused thermal stresses and cracking during the processing cool-down. Thinner interlayers of pure titanium and/or longer processing times resulted in an optimized microstructure. Tensile tests on the joined materials resulted in strengths of 13-28 MPa depending on the SiC substrate material. Nondestructive evaluation using ultrasonic immersion showed well formed bonds. For the joining technology of brazing Kovar fuel tubes to silicon carbide, preliminary development of the joining approach has begun. Various technical issues and requirements for the injector application are addressed.

  16. Deletion of Ogg1 DNA glycosylase results in telomere base damage and length alteration in yeast

    OpenAIRE

    LU, Jian; Liu, Yie

    2009-01-01

    Telomeres consist of short guanine-rich repeats. Guanine can be oxidized to 8-oxo-7,8-dihydroguanine (8-oxoG) and 2,6-diamino-4-hydroxy-5-formamidopyrimidine (FapyG). 8-oxoguanine DNA glycosylase (Ogg1) repairs these oxidative guanine lesions through the base excision repair (BER) pathway. Here we show that in Saccharomyces cerevisiae ablation of Ogg1p leads to an increase in oxidized guanine level in telomeric DNA. The ogg1 deletion (ogg1Δ) strain shows telomere lengthening that is dependent...

  17. ADAPTIVE CHANNEL EQUALIZATION FOR FBMC BASED ON VARIABLE LENGTH STEP SIZE AND MEAN-SQUARED ERROR

    Directory of Open Access Journals (Sweden)

    Mashhoor AlTarayrah

    2014-03-01

    Full Text Available Recently, increasing data transmission rates and the demand of more bandwidth at the same time have been a challenge. The trend now is to support high data rates in wireless communications. Multicarrier systems have overcome many challenges of high bandwidth efficiency and at the same time provided also high spectral efficiency. Filter bank multicarrier systems (FBMC provide some advantages more than the traditional orthogonal frequency division multiplexing (OFDM with cyclic prefix (CP. FBMC systems provide a much better spectral shaping of the subcarriers than orthogonal frequency division multiplexing (OFDM. Therefore, the most obvious difference between the two techniques is in frequency selectivity. In this paper, we will present a least-meansquare (LMS algorithm which is based on well-known cost functions, which is the mean-squared error (MSE adapted for FBMC system with offset QAM modulation (OQAM. This leads to a per-subchannel adaptive equalizer solution with low complexity. The proposed simulations have used practical channel information based on the International Telecommunications Union (ITU Standards. Moreover, we will discuss how the proposed algorithm will optimize and evaluate the convergence characteristic curves of LMS equalization algorithm per-subcarrier.

  18. Mechanical and Explosive Properties of Plastic Bonded Explosives Based on Mixture of HMX and TATB

    Directory of Open Access Journals (Sweden)

    Arjun Singh

    2013-12-01

    Full Text Available This paper describes formulation of plastic bonded explosives (PBXs compositions based on 2,4,6- triamino-1,3,5-trinitrobenzene (TATB, Octahydro l,3,5,7-tetranitro- 1,3,5,7-tetrazocine (HMX by varying their relative amounts with Viton A as polymeric binder by slurry coating technique. These PBXs compositions are studied for mechanical and detonic properties. It has been observed that sensitivity and explosive performance of PBXs based on mixture of HMX and TATB were varied over a wide considerable range by varying relative amounts of TATB and HMX. The detonation study revealed there was increased in velocity of detonation (VOD and detonation pressure with increasing amount of HMX from 10-80 % by weight. The sensitivity test results exhibited that insensitivity to impact for PBXs compositions was found to decrease with increasing HMX amount.  Friction sensitivity study showed that no reactions were observed upto 36 kg load for PBXs compositions namely HT6030, HT5040, HT4050, HT3060, HT2070 and HT1080. The compressive strength of these PBXs compositions was found within the range of 9-11 MPa.Defence Science Journal, 2013, 63(6, pp.622-629, DOI:http://dx.doi.org/10.14429/dsj.63.5764

  19. Development of a thin film vitreous bond based composite ceramic coating for corrosion and abrasion services

    International Nuclear Information System (INIS)

    IPC has been involved with the Alberta Research Council in developing a vitreous bond (VB) - based composite ceramic fluoropolymer coating technology. Compared to the present state of the art which is based on a hard discontinuous phase (ceramic particles) suspended in a soft continuous matrix (fluoropolymer mix) the novelty of our approach consists of designing a composite system in which both the ceramic and the fluoropolymer phases are continuous. The ceramic matrix will provide the strength and the erosion resistance for the fluoropolymer matrix even at high temperatures. The ceramic formulation employed is not affected by temperatures up to 500 oF while the fluoropolymer matrix provides a corrosion protection seal for the ceramic matrix. The inherent flexibility of the polymer matrix will protect against brittle fractures that may develop by handling or impact. Therefore the composite coating is able to withstand the deformation of the substrate without chipping or disbanding. The fluoropolymer matrix also provides dry lubrication properties further enhancing the erosion resistance of the ceramic phase. The thickness of the coating is very thin, in the 25 to 100 micron range. In summary, the coating technology is able to provide the following features: Corrosion protection levels similar to those of fluoropolymer coatings; Erosion resistance similar to that of ceramic coatings; Price comparable to that of polymer coatings; Exceptional wear resistance properties; and Capability for coating complicated shapes internally or externally or both. This paper will discuss the theory and development of this new technology and the resultant coating and potential properties. (author)

  20. An Investigation of Bonding-Layer Characteristics of Substrate-Bonded Fiber Bragg Grating

    Science.gov (United States)

    Cheng, Chih-Chun; Lo, Yu-Lung; Pun, B. S.; Chang, Y. M.; Li, W. Y.

    2005-11-01

    An analytic model of a bonding layer for a fiber Bragg grating (FBG) bonded on a substrate was developed to predict the strain transfer from the substrate to the FBG when the substrate is subjected to external forces. This model provides a guide on how to bond an FBG on a substrate as a strain sensor or as a chirp FBG spectrum-tuning device used in telecommunications. In addition, an inverse approach based on an optimization technique was developed to investigate which part of the strain distribution along the FBG causes sidebands and ripples when an FBG is stretched to become a chirped FBG (CFBG) using the substrate-straining technique. Results show that the primary influence of an unacceptable bonding layer on the strain transfer from the substrate to the FBG is near the two ends of the FBG, which causes sidebands in the reflective spectrum. Using a glue with a high shear modulus, we can increase the bonding length and reduce the bonding-layer thickness to effectively improve the strain transmissibility of the bonding layer. However, if the strain transfer from the substrate to the FBG exhibits fluctuations due to an improper bonding process or a deteriorating bonding layer, ripples occur in the corresponding wavelength spectra. The number and amplitude of the ripples correlate strongly to those of strain fluctuations in the FBG.

  1. Thermodynamics of hydrogen bonding of weak bases in alcohol solutions: Calorimetry of solution, IR-spectroscopy and vapor pressure analysis

    Science.gov (United States)

    Zaitseva, Ksenia V.; Varfolomeev, Mikhail A.; Solomonov, Boris N.

    2012-06-01

    The properties of solutes and their reactivity in aliphatic alcohols significantly depend on the formation of hydrogen bonds. In this work, calorimetric, FTIR-spectroscopic and gas chromatographic vapor pressure studies of hydrogen bonds of weak bases in solution of aliphatic alcohols were carried out. Enthalpies of solutions at infinite dilution of ketones, nitriles and acetates in methanol and octan-1-ol were measured. Obtained from the calorimetric data, the enthalpies of specific interaction of weak bases in aliphatic alcohols unexpectedly found to be positive. IR spectra of solutions of ketones in aliphatic alcohols at infinite dilution were measured at different temperatures. Enthalpies of specific interaction in studied systems obtained from the spectroscopic data confirmed the endothermic process and are in good agreement with calorimetric results. Gibbs energies and entropies of specific interaction of weak bases in aliphatic alcohols were determined. Obtained results show, that the hydrogen bonding process of weak bases in aliphatic alcohols differs substantially from the formation of complexes 1:1 ROH⋯B (B - weak proton acceptor) in aprotic media. The complicated process of hydrogen bonding of weak bases in aliphatic alcohols apparently is controlled by the entropy factor, because these values are above zero.

  2. A Comparison between Shear Bond Strength of VMK Master Porcelain with Three Base-metal Alloys (Ni-cr-T3, VeraBond, Super Cast) and One Noble Alloy (X-33) in Metal-ceramic Restorations

    OpenAIRE

    Dabaghi Tabriz F.; Epakchi S.; Mousavi N.; Neshati A.; Ahmadzadeh A.; Sarbazi AH.

    2013-01-01

    Statement of Problem: The increase in the use of metal-ceramic restorations and a high prevalence of porcelain chipping entails introducing an alloy which is more compatible with porcelain and causes a stronger bond between the two. This study is to compare shear bond strength of three base-metal alloys and one noble alloy with the commonly used VMK Master Porcelain. Materials and Method: Three different groups of base-metal alloys (Ni-cr-T3, Super Cast, and VeraBond) and one group of noble a...

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

    Science.gov (United States)

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

    2015-11-01

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

  4. Synthesis and characterization of zirconium diboride precursor based on polycentric bridge bonds

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Zhengfang, E-mail: xiezhengfang@163.com; Deng, Xiaojun, E-mail: dengxiaoj1314@163.com; Suo, Xingwen, E-mail: suoxw@126.com; Zhou, Ting, E-mail: ztcs51@126.com; Gou, Yanzi, E-mail: y.gou2012@hotmail.com

    2015-06-01

    Zirconium diboride (ZrB{sub 2}) is one of the most important ultrahigh temperature ceramics (UHTCs). ZrB{sub 2} precursor was synthesized with bis(cyclopentadienyl)zirconium dihydride (Cp{sub 2}ZrH{sub 2}) and borane-dimethyl sulfide complex (BH{sub 3}·S(CH{sub 3}){sub 2}). The influences of molar ratio of reactants and reaction temperature on the solubility of the as-synthesized precursors were investigated. The molecular structure of the precursor, pyrolysis behavior, and the composition of the derived ceramics were investigated by X-ray photoelectron spectroscopy (XPS), Fourier Transformed Infrared Spectroscopy (FT IR), Raman Spectroscopy (RMS), {sup 1}H Nuclear Magnetic Resonance Spectroscopy ({sup 1}H NMR), {sup 11}B Nuclear Magnetic Resonance Spectroscopy ({sup 11}B NMR), Thermogravimetric-Mass Spectroscopy (TG-MS), X-ray Diffraction (XRD), and Scanning Electron Microscopy (SEM), respectively. The results showed that, the precursor was an oligomer based on Zr–H–B polycentric bridge bonds with molecular weight of 750 and formula as (Cp{sub 2}Zr(BH{sub 4}){sub 2}){sub 3}. The precursor would probably further polymerize under vacuum or at high temperature and lead to an insoluble polymer. The ceramic yield of the precursor at 1000 °C was around 66% under N{sub 2} atmosphere. After pyrolyzed at 1800 °C, the derived ceramics were composed of h-ZrB{sub 2}, ZrC, and free carbon with a formula as ZrB{sub 1.38}C{sub 2.18}. - Highlights: • ZrB{sub 2} precursor based on Zr–H–B polycentric bridge bonds was synthesized. • The ceramic yield of the precursor at 1000 °C was around 66% under N{sub 2} atmosphere. • After pyrolyzed at 1800 °C, the derived ceramics were composed of h-ZrB{sub 2}, ZrC and free carbon with a formula as ZrB{sub 1.38}C{sub 2.18}.

  5. Research on Average Length of Stay based on Factor Analysis%基于因子分析的医院平均住院日研究

    Institute of Scientific and Technical Information of China (English)

    项小婵; 陈漫漫; 张智品

    2016-01-01

    The average length of stay is one of the sensitive indicators for medical quality and work efficiency. With medical record analysis and questionnaire, the influencing factors of average length of stay were screened out, which was processed with factor analysis and ranked according to their importance. Based on factor analysis results, main of influencing factors of average length of stay were analyzed and discussed and the management measures and policy recommendations were put forward so as to improve medical quality.

  6. PMMA to SU-8 Bonding for Polymer Based Lab-on -a-chip Systems with Integrated Optics

    DEFF Research Database (Denmark)

    Clausen, Bjarne

    2003-01-01

    An adhesive bonding technique for wafer-level sealing of SU-8 based lab-on-a-chip microsystems with integrated optical components is presented. Microfluidic channels and optical components, e.g. waveguides, are fabricated in cross-linked SU-8 and sealed with a Pyrex glass substrate by means of an...

  7. Probing time-dependent mechanical behaviors of catch bonds based on two-state models

    OpenAIRE

    Xiaofeng Chen; Zhixiu Mao; Bin Chen

    2015-01-01

    With lifetime counter-intuitively being prolonged under forces, catch bonds can play critical roles in various sub-cellular processes. By adopting different “catching” strategies within the framework of two-state models, we construct two types of catch bonds that have a similar force-lifetime profile upon a constant force-clamp load. However, when a single catch bond of either type is subjected to varied forces, we find that they can behave very differently in both force history dependence an...

  8. Infrared study of the hydrogen bonding site in a poly-functional schiff base: N( sp2) or N( sp)?

    Science.gov (United States)

    Laureys, C.; Zeegers-Huyskens, Th.

    1987-05-01

    The hydrogen bond complexes between phenol derivatives and the Schiff base [(diphenylmethylene)amino]-acetonitrile have been studied by infrared spectroscopy in carbon tetrachloride solution. The thermodynamic data and the infrared spectra investigated in the ν OH, ν CN and ν CN region indicate that complex formation occurs at the nitrogen atom of the nitrile function. The hydrogen bonding site is in this case governed by the accessibility of the lone pair which is markedly higher for the N( sp) than the N( sp2) electrons.

  9. The effect of shape, length and diameter of implants on primary stability based on resonance frequency analysis

    Directory of Open Access Journals (Sweden)

    Hamidreza Barikani

    2014-01-01

    Full Text Available Background: The aim of this in vitro study was to evaluate the effect of shape, diameter and length of implants on their primary stability based on resonance frequency analysis. Materials and Methods: Replace select tapered and Branemark MK III implants were selected. Each of these two selected groups was divided into nine subgroups based on the implant length (IL (short, medium and long and the implant diameter (ID (narrow platform [NP], regular platform [RP] and wide platform [WP]. Five implants were assigned to each of the nine subgroups. Implants were placed in artificial bone blocks with bone quality similar to D3 bone. Immediately after the implant placement, its primary stability was measured using Osstell Mentor equipment. T-test and Tukey′s honest significant difference Post hoc were performed for data analysis. Statistical significance was defined at P < 0.05. Results: Replace select system showed significantly higher primary stability compared to the Branemark system, when using the short implants for all three diameters (P ≤ 0.004. However, in medium length implants there were no significant differences between the two implant systems (P ≥ 0.31. In long implants, only when the NP and RP implants were used, the Replace Select system showed significantly higher primary stability compared to the Branemark system (P = 0.000. In the replace select system, long implants had a significantly higher primary stability compared to medium and short length implants (P ≤ 0.003. In the NP and RP Branemark implants, short implants showed significantly lower primary stability compared to medium and long implants (P ≤ 0.002. However, in WP Branemark implants, primary stability increased significantly with increasing the IL from short to medium and from medium to long (P = 0.000. There were also significant differences between NP and the two other wider implants in both systems (P = 0.000. Conclusion: The use of tapered implants is

  10. The effect of alkyl chain length on the level of capping of silicon nanoparticles produced by a one-pot synthesis route based on the chemical reduction of micelle

    International Nuclear Information System (INIS)

    Silicon nanoparticles (SiNPs) can be synthesized by a variety of methods. In many cases these routines are non-scalable with low product yields or employ toxic reagents. One way to overcome these drawbacks is to use one-pot synthesis based on the chemical reduction of micelles. In the following study trichloroalkylsilanes of differing chain lengths were used as a surfactant, and the level of capping, surface bonding and size of the nanoparticles formed has been investigated. FTIR results show that the degree of alkyl capping for SiNPs with different capping layers was constant, although SiNPs bound with shorter chains display a much higher level of Si–O owing to the reaction of the ethanol used in the method with uncapped sites on the particle. SiNPs with longer chain length capping show a sharp Si–H peak on the FTIR, these were heated at reflux with the corresponding 1-alkene to fully cap these particles, resulting in a reduction/disappearance of this peak with a minimal change in the intensity of the Si–O peak. Other techniques used to analyze the surface bonding and composition, XPS, 1H-NMR, and TEM/EDX, show that alkyl-capped SiNPs have been produced using this method. The optical properties showed no significant changes between the different capped SiNPs.

  11. Fiber-Optic-Based Pressure and Residual Strain Monitoring in CFRP Bonding Process: Toward Realization of Secondary Bonding in CFRP Aircraft Structures

    OpenAIRE

    Minakuchi, Shu; Uhira, Keigo; TERADA, Yutaka; Takeda, Nobuo; Saito, Nozomi; Shimizu, Takayuki

    2014-01-01

    Applying secondary bonding to places where carbon fiber reinforced plastic (CFRP) structures are conventionally bolted leads to significant cost and weight saving. However, it has yet to be utilized due to difficulties in quality control. Lack of local pressure in bonding process has detrimental influence on the quality of the cured adhesive layer. Pressure detection is hence a key for controlling bonding quality, and a new quality assurance technique is urgently needed. This study establishe...

  12. Modeling of a hydraulic excavator based on bond graph method and its parameter estimation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Soo Jin [Myongji University, Yongin (Korea, Republic of); Chang, Pyung Hun [Daegu Gyeongbuk Institute of Science and Technology, Daegu (Korea, Republic of)

    2012-01-15

    This paper focuses on two problems occurring in modeling a hydraulic excavator. The first problem arises in the modeling process. Because a hydraulic excavator has a very complex structure, the modeling process requires considerable time and is prone to errors. This problem is solved by conceptually modeling an excavator system using bond graph methods, the top-down and bottom-up methods, and the modeling software developed by the authors, and then, automatically deriving the nonlinear symbolic mathematical model from the conceptual model by using the modeling software. The other problem arises in obtaining parameters of the model. It is difficult to obtain the specification data for hydraulic components provided by manufacturers in general and to obtain the experimental data for estimating unique parameters. To solve this problem, an estimation method is devised for estimating parameters based on the experimental data that can be easily obtained. These methods enable easy and efficient modeling of an excavator system. In addition, the established model is verified through the comparison between the simulation and the experimental results. Also, this paper provides a good example of modeling of the large complex system.

  13. Non-enzymatic superoxide anion radical sensor based on Pt nanoparticles covalently bonded to thiolated MWCNTs

    International Nuclear Information System (INIS)

    Highlights: ► Synthesis of MWCNTs–Pt nanoparticles and characterization by TEM and X-ray photoelectron spectroscopy. ► Fabrication of modified electrode PDDA/MWCNTs–Pt for electrochemical determination of O2·− without enzyme. ► The modified electrode exhibited high conductivity, biocompatibility and stability. ► This modified electrode provided higher sensitivity, wide linear range, low detection limit, good reproducibility. ► This proposed electrode displayed better electrocatalytic activity than other modified electrodes toward superoxide. - Abstract: In this study, we developed a superoxide anion biosensor based on Pt nanoparticles covalently bonded to the multi-walled carbon nanotubes (MWCNTs–Pt) and poly-diallyldimethylammonium chloride (PDDA) on a glassy carbon electrode (GCE) without enzyme. The MWCNTs–Pt film was characterized with transmission electron microscopy and X-ray photoelectron spectroscopy. The mechanism of the reduction of superoxide anion at PDDA/MWCNTs–Pt/GCE was determined to be an irreversible diffusion-controlled electrode process. The electrocatalytic properties of the MWCNTs–Pt catalyst for superoxide anion reduction were investigated by cyclic voltammetry and chronoamperometry. Good sensitivity, wide linear range, low detection limit, good reproducibility and excellent storage stability were obtained by using the amperometric response. In the study results, the proposed electrode displayed better electrocatalytic activity than the previously reported electrodes toward the dismutation of superoxide.

  14. Modeling of a hydraulic excavator based on bond graph method and its parameter estimation

    International Nuclear Information System (INIS)

    This paper focuses on two problems occurring in modeling a hydraulic excavator. The first problem arises in the modeling process. Because a hydraulic excavator has a very complex structure, the modeling process requires considerable time and is prone to errors. This problem is solved by conceptually modeling an excavator system using bond graph methods, the top-down and bottom-up methods, and the modeling software developed by the authors, and then, automatically deriving the nonlinear symbolic mathematical model from the conceptual model by using the modeling software. The other problem arises in obtaining parameters of the model. It is difficult to obtain the specification data for hydraulic components provided by manufacturers in general and to obtain the experimental data for estimating unique parameters. To solve this problem, an estimation method is devised for estimating parameters based on the experimental data that can be easily obtained. These methods enable easy and efficient modeling of an excavator system. In addition, the established model is verified through the comparison between the simulation and the experimental results. Also, this paper provides a good example of modeling of the large complex system

  15. Valence-dependent bond-order potentials for modeling Ni-based superalloys

    International Nuclear Information System (INIS)

    The creep properties of Ni-based superalloys degrade with time due to precipitation of topologically close-packed (tcp) phases. We have compiled a structure map of the occurrence of tcp phases for binary transition-metal (TM) compounds from experimental databases. The structure map highlights the well-known role of the average d-band filling for the stability of tcp phases. Atomistic modelling of tcp stability requires extending the second-moment approximation to the electronic density of states (DOS) by including up to at least the sixth moment. We have developed an analytic bond-order potential (BOP) that systematically takes into account higher moment contributions to the DOS and depends explicitly on the valence of the TM elements. By including up to sixth-moment terms the analytic BOP is able to reproduce the structural trend across the non-magnetic 4d and 5d TM series. For the parameterization of the new BOP, we performed extensive density functional theory (DFT) calculations of the elemental and binary compound phases of Ni, the technologically important alloying element Cr, and the refractory metals Mo, Re, and W. In particular, we investigated the tcp phases A15, C14, C15, C36, μ, σ, and χ for the Ni-Cr, Re-W, Mo-Re, and Mo-W binary systems. We discuss the structural trends of the DFT calculations and compare to the predictions of the analytic BOP within the canonical d-band model

  16. Comparative evaluation of tensile bond strength of silicone-based denture liners after thermocycling and surface treatment

    Directory of Open Access Journals (Sweden)

    Harsimran Kaur

    2015-01-01

    Full Text Available Purpose: To examine, evaluate, and compare the tensile bond strength of two silicone-based liners; one autopolymerizing and one heat cured, when treated with different chemical etchants to improve their adhesion with denture base resin. Materials and Methods: Hundred and sixty test specimens of heat-cured polymethyl methacrylate (PMMA were fabricated; out of which 80 specimens were tested for tensile bond strength after bonding it to autopolymerizing resilient liner (Ufigel P and rest 80 to heat-cured resilient liner (Molloplast B. Each main group was further divided into four subgroups of 20 specimens each, one to act as a control and three were subjected to surface treatment with different chemical etchants namely dichloromethane, MMA monomer, and chloroform. The two silicone-based denture liners were processed between 2 PMMA specimens (10 mm × 10 mm × 40 mm in the space provided by a spacer of 3 mm, thermocycled (5-55°C for 500 cycles, and then their tensile strength measurements were done in the universal testing machine. Results: One-way ANOVA technique showed a highly significant difference in the mean tensile bond strength values for all the groups. The Student′s t-test computed values of statistics for the compared groups were greater than the critical values both at 5% and at 1% levels. Conclusion: Surface treatment of denture base resin with chemical etchants prior to the application of silicone-based liner (Ufigel P and Molloplast-B increased the tensile bond strength. The increase was the highest with specimens subjected to 180 s of MMA surface treatment and the lowest with control group specimens.

  17. Methods for calculating glacier area and length in a mountainous area based on remote-sensing data and a digital elevation model

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In a mountainous region, the glacier area and length extracted form the satellite imagery data is the projected area and length of the land surface, which can’t be representative of the reality; there are always some errors. In this paper, the methods of calculating glacier area and length calculation were put forward based on satellite imagery data and a digital elevation model (DEM). The pure pixels and the mixed pixels were extracted based on the linear spectral un-mixing approach, the slop of the pixels was calculated based on the DEM, then the area calculation method was presented. The projection length was obtained from the satellite imagery data, and the elevation differences was calculated from the DEM. The length calculation method was presented based on the Pythagorean theorem. For a glacier in the study area of western Qilian Mountain, northwestern China, the projected area and length were 140.93 km2 and 30.82 km, respectively. This compares with the results calculated by the methods in this paper, which were 155.16 km2 and 32.11 km respectively, a relative error of the projected area and length extracted from the LandSat Thematic Mapper (TM) image directly reach to -9.2 percent and -4.0 percent, respectively. The calculation method is more in accord with the practicality and can provide reference for some other object’s area and length monitoring in a mountainous region.

  18. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

    Science.gov (United States)

    Chen, Zhenhua; Chen, Xun; Wu, Wei

    2013-04-01

    In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

  19. Formaldehyde Emission from Wood-Based Panels Bonded with Different Formaldehyde-Based Resins

    Directory of Open Access Journals (Sweden)

    Mohamed Salem

    2011-09-01

    Full Text Available In this study, the formaldehyde emission (FE from different types of particleboard, medium density fiberboard (MDF, and plywood products supplied from a commercial plant in the Czech Republic were evaluated by gas analysis (EN 717-2 and European small chamber (EN 717-1 methods. The significant effects of manufacturing variables (board type and thickness as well as different types of formaldehyde-based resins on FE measured by gas analysis were obtained. When the E1 type adhesives were employed, a wide variation in the quantity of free formaldehyde was observed among the three product types. The FE values of plywood samples measured by gas analysis were lower than those of the particleboard and MDF samples. The correlation between the two methods for the particleboard and MDF were good (R2 = 0.82 and 0.76, respectively and however for plywood (R2 = 0.52 it was not convincing. FE specifi ed in EN 717-2 was comparable with the EN 717-1 values for the same board type and thickness as well as the resin type and below the E1-emission class.

  20. A computational approach for the annotation of hydrogen-bonded base interactions in crystallographic structures of the ribozymes

    Energy Technology Data Exchange (ETDEWEB)

    Hamdani, Hazrina Yusof, E-mail: hazrina@mfrlab.org [School of Biosciences and Biotechnology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi (Malaysia); Advanced Medical and Dental Institute, Universiti Sains Malaysia, Bertam, Kepala Batas (Malaysia); Artymiuk, Peter J., E-mail: p.artymiuk@sheffield.ac.uk [Dept. of Molecular Biology and Biotechnology, Firth Court, University of Sheffield, S10 T2N Sheffield (United Kingdom); Firdaus-Raih, Mohd, E-mail: firdaus@mfrlab.org [School of Biosciences and Biotechnology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi (Malaysia)

    2015-09-25

    A fundamental understanding of the atomic level interactions in ribonucleic acid (RNA) and how they contribute towards RNA architecture is an important knowledge platform to develop through the discovery of motifs from simple arrangements base pairs, to more complex arrangements such as triples and larger patterns involving non-standard interactions. The network of hydrogen bond interactions is important in connecting bases to form potential tertiary motifs. Therefore, there is an urgent need for the development of automated methods for annotating RNA 3D structures based on hydrogen bond interactions. COnnection tables Graphs for Nucleic ACids (COGNAC) is automated annotation system using graph theoretical approaches that has been developed for the identification of RNA 3D motifs. This program searches for patterns in the unbroken networks of hydrogen bonds for RNA structures and capable of annotating base pairs and higher-order base interactions, which ranges from triples to sextuples. COGNAC was able to discover 22 out of 32 quadruples occurrences of the Haloarcula marismortui large ribosomal subunit (PDB ID: 1FFK) and two out of three occurrences of quintuple interaction reported by the non-canonical interactions in RNA (NCIR) database. These and several other interactions of interest will be discussed in this paper. These examples demonstrate that the COGNAC program can serve as an automated annotation system that can be used to annotate conserved base-base interactions and could be added as additional information to established RNA secondary structure prediction methods.

  1. A computational approach for the annotation of hydrogen-bonded base interactions in crystallographic structures of the ribozymes

    Science.gov (United States)

    Hamdani, Hazrina Yusof; Artymiuk, Peter J.; Firdaus-Raih, Mohd

    2015-09-01

    A fundamental understanding of the atomic level interactions in ribonucleic acid (RNA) and how they contribute towards RNA architecture is an important knowledge platform to develop through the discovery of motifs from simple arrangements base pairs, to more complex arrangements such as triples and larger patterns involving non-standard interactions. The network of hydrogen bond interactions is important in connecting bases to form potential tertiary motifs. Therefore, there is an urgent need for the development of automated methods for annotating RNA 3D structures based on hydrogen bond interactions. COnnection tables Graphs for Nucleic ACids (COGNAC) is automated annotation system using graph theoretical approaches that has been developed for the identification of RNA 3D motifs. This program searches for patterns in the unbroken networks of hydrogen bonds for RNA structures and capable of annotating base pairs and higher-order base interactions, which ranges from triples to sextuples. COGNAC was able to discover 22 out of 32 quadruples occurrences of the Haloarcula marismortui large ribosomal subunit (PDB ID: 1FFK) and two out of three occurrences of quintuple interaction reported by the non-canonical interactions in RNA (NCIR) database. These and several other interactions of interest will be discussed in this paper. These examples demonstrate that the COGNAC program can serve as an automated annotation system that can be used to annotate conserved base-base interactions and could be added as additional information to established RNA secondary structure prediction methods.

  2. A computational approach for the annotation of hydrogen-bonded base interactions in crystallographic structures of the ribozymes

    International Nuclear Information System (INIS)

    A fundamental understanding of the atomic level interactions in ribonucleic acid (RNA) and how they contribute towards RNA architecture is an important knowledge platform to develop through the discovery of motifs from simple arrangements base pairs, to more complex arrangements such as triples and larger patterns involving non-standard interactions. The network of hydrogen bond interactions is important in connecting bases to form potential tertiary motifs. Therefore, there is an urgent need for the development of automated methods for annotating RNA 3D structures based on hydrogen bond interactions. COnnection tables Graphs for Nucleic ACids (COGNAC) is automated annotation system using graph theoretical approaches that has been developed for the identification of RNA 3D motifs. This program searches for patterns in the unbroken networks of hydrogen bonds for RNA structures and capable of annotating base pairs and higher-order base interactions, which ranges from triples to sextuples. COGNAC was able to discover 22 out of 32 quadruples occurrences of the Haloarcula marismortui large ribosomal subunit (PDB ID: 1FFK) and two out of three occurrences of quintuple interaction reported by the non-canonical interactions in RNA (NCIR) database. These and several other interactions of interest will be discussed in this paper. These examples demonstrate that the COGNAC program can serve as an automated annotation system that can be used to annotate conserved base-base interactions and could be added as additional information to established RNA secondary structure prediction methods

  3. Fractal-Based Lightning Channel Length Estimation from Convex-Hull Flash Areas for DC3 Lightning Mapping Array Data

    Science.gov (United States)

    Bruning, Eric C.; Thomas, Ronald J.; Krehbiel, Paul R.; Rison, William; Carey, Larry D.; Koshak, William; Peterson, Harold; MacGorman, Donald R.

    2013-01-01

    We will use VHF Lightning Mapping Array data to estimate NOx per flash and per unit channel length, including the vertical distribution of channel length. What s the best way to find channel length from VHF sources? This paper presents the rationale for the fractal method, which is closely related to the box-covering method.

  4. Experimental bond behavior of FRP sheets glued on brick masonry

    OpenAIRE

    Oliveira, Daniel V.; Basílio, Ismael; Lourenço, Paulo B.

    2011-01-01

    This paper deals with the experimental characterization of the mechanical tensile and shear bond behavior of fiber reinforced polymer (FRP) sheets externally glued on masonry prisms, in terms of load capacity and stress distribution along the bonded length. The brick masonry adopted tries to replicate ancient brick masonry, by using handmade low strength solids bricks and low strength lime based mortar. Key parameters relative to the FRP-masonry interface response, particularly bo...

  5. Pnicogen bonds: a theoretical study based on the Laplacian of electron density.

    Science.gov (United States)

    Eskandari, K; Mahmoodabadi, N

    2013-12-01

    Although, most of the authors classify the pnicogen bonds as σ-hole bonding, there are some evidence that show they do not require any positive electrostatic potential around interacting molecules. In this work, the Laplacian of electron density is used to study pnicogen bonds in different dimer and trimer complexes. It is shown that the noncovalent P···P, P···N, and N···N bonds can be categorized as lump-hole interactions; a region of charge depletion and excess kinetics energy (hole) in the valence shell charge concentration (VSCC) of pnicogen atom combines with a region of charge concentration and excess potential energy (lump) in the VSCC of another molecule and form a pnicogen bond. In fact, since the full quantum potential (according to the local statement of virial theorem) has been used in the definition of the Laplacian, the lump-hole concept is more useful than the σ-hole in which the electrostatic part of potential is only considered. It is shown that the existence of hole in the VSCC of pnicogen atom is responsible for formation and (in the absence of other interactions) geometry of pnicogen bonded complexes. Because there is (at least) one hole in their VSCC, the pnicogen atoms in PH3, PH2F, H2C═PH, H2C═PF, and NH2F can engage in direct pnicogen-pnicogen interactions. However, the VSCC of nitrogen atom in the NH3 is devoid of hole and hence cannot act as an electron acceptor in pnicogen-bonded complexes. PMID:24246034

  6. Is compliance with hospital accreditation Associated with length of stay and acute readmission? A Danish nationwide population-base study

    DEFF Research Database (Denmark)

    Falstie-Jensen, Anne Mette; Nørgaard, Mette; Hollnagel, Erik;

    2015-01-01

    OBJECTIVE: To examine the association between compliance with hospital accreditation and length of stay (LOS) and acute readmission (AR). DESIGN: A nationwide population-based follow-up study from November 2009 to December 2012. SETTING: Public, non-psychiatric Danish hospitals. PARTICIPANTS: In-patients...... admitted with one of 80 diagnoses. INTERVENTION: Accreditation by the first version of The Danish Healthcare Quality Programme. Using an on-site survey, surveyors assessed the level of compliance with the standards. The hospital was awarded either fully (n = 11) or partially accredited (n = 20). MAIN...... in-patients were included of whom 266 532 were discharged alive and included in the AR analyses. The mean LOS was 4.51 days (95% confidence interval (CI): 4.46-4.57) at fully and 4.54 days (95% CI: 4.50-4.57) at partially accredited hospitals, respectively. After adjusting for confounding factors...

  7. Dosimetric impact of an 192Ir brachytherapy source cable length modeled using a grid-based Boltzmann transport equation solver

    International Nuclear Information System (INIS)

    Purpose: To evaluate the dose distributions of an 192Ir source (model VS2000) in homogeneous water geometry calculated using a deterministic grid-based Boltzmann transport equation solver (GBBS) in the commercial treatment planning system (TPS) (BRACHYVISION-ACUROS v8.8). Methods: Using percent dose differences (%ΔD), the GBBS (BV-ACUROS) was compared to the (1) published TG-43 data, (2) MCNPX Monte Carlo (MC) simulations of the 192Ir source centered in a 15 cm radius water sphere, and (3) TG-43 output from the TPS using vendor supplied (BV-TG43-vendor) and user extended (BV-TG43-extended) 2D anisotropy functions F(r,θ). BV-ACUROS assumes 1 mm of NiTi cable, while the TPS TG-43 algorithm uses data based on a 15 cm cable. MC models of various cable lengths were simulated. Results: The MC simulations resulted in >20% dose deviations along the cable for 1, 2, and 3 mm cable lengths relative to 15 cm. BV-ACUROS comparisons with BV-TG43-vendor and BV-TG43-extended yielded magnitude of differences, consistent with those seen in MC simulations. However, differences >20% extended further (θ≤10 deg.) when using the vendor supplied anisotropy function Fven(r,θ). These differences were also seen in comparisons of F(r,θ) derived from the TPS output. Conclusions: The results suggest that %ΔD near the cable region is larger than previously estimated. The spatial distribution of the dose deviation is highly dependent on the reference TG-43 data used to compare to GBBS. The differences observed, while important to realize, should not have an impact on clinical dosimetry in homogeneous water.

  8. Method for Car in Dangerous Action Detection by Means of Wavelet Multi Resolution Analysis Based on Appropriate Support Length of Base Function

    Directory of Open Access Journals (Sweden)

    Kohei Arai

    2013-04-01

    Full Text Available Multi-Resolution Analysis: MRA based on the mother wavelet function with which support length differs from the image of the automobile rear under run is performed, and the run characteristic of a car is searched for. Speed, deflection, etc. are analyzed and the method of detecting vehicles with high accident danger is proposed. The experimental results show that vehicles in a dangerous action can be detected by the proposed method.

  9. Iron-phosphate-based chemically bonded phosphate ceramics for mixed waste stabilization

    International Nuclear Information System (INIS)

    In an effort to develop chemically bonded phosphate ceramics for mixed waste stabilization, a collaborative project to develop iron-phosphate based ceramics has been initiated between Argonne National Laboratory and the V. G. Khlopin Radium Institute in St. Petersburg, Russia. The starter powders are oxides of iron that are generated as inexpensive byproduct materials in the iron and steel industry. They contain iron oxides as a mixture of magnetite (Fe3O4) and haematite (Fe2O3). In this initial phase of this project, both of these compounds were investigated independently. Each was reacted with phosphoric acid solution to form iron phosphate ceramics. In the case of magnetite, the reaction was rapid. Adding ash as the waste component containing hazardous contaminants resulted in a dense and hard ceramic rich in glassy phase. On the other hand, the reaction of phosphoric acid solution with a mixture of haematite and ash waste contaminated with cesium and americium was too slow. Samples had to be molded under pressure. They were cured for 2-3 weeks and then hardened by heating at 350 degrees C for 3 h. The resulting ceramics in both cases were subjected to physical tests for measurement of density, open porosity, compression strength, phase analyses using X-ray diffraction and differential thermal analysis, and leaching tests using toxicity characteristic leaching procedure (TCLP) and ANS 16.1 with 7 days of leaching. Using the preliminary information obtained from these tests, we evaluated these materials for stabilization of Department of Energy's mixed waste streams

  10. Microstructural evolution of nanostructured steel-based composite fabricated by accumulative roll bonding

    Energy Technology Data Exchange (ETDEWEB)

    Jamaati, Roohollah, E-mail: jamaati@nit.ac.ir [Department of Mechanical Engineering, Babol Noshirvani University of Technology, Babol (Iran, Islamic Republic of); Toroghinejad, Mohammad Reza [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Amirkhanlou, Sajjad [Young Researchers and Elite Club, Najafabad Branch, Islamic Azad University, Najafabad (Iran, Islamic Republic of); Edris, Hossein [Department of Materials Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

    2015-07-15

    In the present study, the effect of four-layer accumulative roll bonding (ARB) process at room temperature on the microstructure and mechanical properties of steel-based composite was investigated. Microstructural observations were done by scanning transmission electron microscopy (STEM). Also, textural evolution during the ARB process was evaluated using X-ray diffraction. It was found that occurrence of discontinuously dynamic recrystallization (DDRX) in the interstitial free (IF) steel during cold plastic deformation is possible. The four-layer ARB process at room temperature in the presence of SiC microparticles provided the stored energy required for DDRX in the IF steel with high stacking fault energy (SFE). On the other hand, hindrance of initial grain boundaries to dislocation movement resulted in DDRX grains along initial grain boundaries in the IF steel matrix. Average grain size of the final sample was 73 nm but the microstructure was relatively inhomogeneous. The results also indicated that particle stimulated nucleation (PSN) promoted texture randomization in the steel-based composite. Dislocation density of the samples was determined from hardness measurement. The dislocation density increased continually until the dislocation density of the steel-based composite after fourth cycle was about 5.3 times (10.73×10{sup 9} cm{sup −2}) higher than that of the initial sample (2.02×10{sup 9} cm{sup −2}). Also, significant increase in dislocation density occurred after first cycle and in the final cycles the dislocation density value was saturated. After first cycle, a remarkable improvement was observed in the yield strength value, from 84 MPa to 682 MPa which is almost 8.1 times greater than that of the initial sample. After final cycle, the yield strength value increased to 1061 MPa. Finally, the contribution of individual mechanisms such as the grain refinement, dislocation, second phase, and precipitation in strengthening of the IF steel was

  11. Effect of bonding on the performance of a piezoactuator-based active control system

    Science.gov (United States)

    Baz, A.; Poh, S.

    1987-01-01

    The utilization of piezoelectric actuators in controlling the structural vibrations of flexible beams is studied. A Modified Independent Modal Space Control (MIMSC) method is devised to select the optimal location, control gains and excitation voltage of the piezoelectric actuators in a way that would minimize the amplitudes of vibrations of beams to which these actuators are bonded, as well as the input control energy necessary to suppress these vibrations. The presented method accounts for the effects that the piezoelectric actuators and the bonding layers have on changing the elastic and inertial properties of the flexible beams. Numerical examples are presented to illustrate the application of the MIMSC method and to demonstrate the effect of the physical and geometrical properties of the bonding layer on the dynamic performance of the actively controlled beams. The obtained results emphasize the importance of the devised method in designing more realistic active control systems for flexible beams, in particular, and large flexible structures in general.

  12. 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

  13. Fabrication and Characterization of a Lead Zirconate Titanate Micro Energy Harvester Based on Eutectic Bonding

    Science.gov (United States)

    Li, Yi-Gui; Sun, Jian; Yang, Chun-Sheng; Liu, Jing-Quan; Sugiyama, Susumu; Tanaka, Katsuhiko

    2011-06-01

    A lead zirconate titanate(PZT)-Si energy harvester cantilever with PZT bulk ceramics is fabricated by eutectic bonding, polishing and dicing processes. The feasibility of this process is studied using a successful operation of the cantilever in both actuation and harvesting modes. The first prototype made from a PZT-Au-Si cantiliever is tested. The testing results show the voltage output of 632 mV at the frequency of 815 Hz when the excitation acceleration is 0.5 g. The PZT and silicon layers are bonded together to form a sandwiched structure using a gold layer as an intermediate layer.

  14. Evaluation of bond strength of silorane and methacrylate based restorative systems to dentin using different cavity models

    Directory of Open Access Journals (Sweden)

    Stephano Zerlottini Isaac

    2013-09-01

    Full Text Available OBJECTIVE: The aim of this in vitro study was to evaluate the microtensile bond strength (µTBS to dentin of two different restorative systems: silorane-based (P90, and methacrylate-based (P60, using two cavity models. MATERIAL AND METHODS: Occlusal enamel of 40 human third molars was removed to expose flat dentin surface. Class I cavities with 4 mm mesial-distal width, 3 mm buccal-lingual width and 3 mm depth (C-factor=4.5 were prepared in 20 teeth, which were divided into two groups (n=10 restored with P60 and P90, bulk-filled after dentin treatment according to manufacturer's instructions. Flat buccal dentin surfaces were prepared in the 20 remaining teeth (C-factor=0.2 and restored with resin blocks measuring 4x3x3 mm using the two restorative systems (n=10. The teeth were sectioned into samples with area between 0.85 and 1.25 mm2 that were submitted to µTBS testing, using a universal testing machine (EMIC at speed of 0.5 mm/min. Fractured specimens were analyzed under stereomicroscope and categorized according to fracture pattern. Data were analyzed using ANOVA and Tukey Kramer tests. RESULTS: For flat surfaces, P60 obtained higher bond strength values compared with P90. However, for Class I cavities, P60 showed significant reduction in bond strength (p0.05, or between Class I Cavity and Flat Surface group, considering P90 restorative system (p>0.05. Regarding fracture pattern, there was no statistical difference among groups (p=0.0713 and 56.3% of the fractures were adhesive. CONCLUSION: It was concluded that methacrylate-based composite µTBS was influenced by cavity models, and the use of silorane-based composite led to similar bond strength values compared to the methacrylate-based composite in cavities with high C-factor.

  15. Push-out bond strength of MTA HP, a new high-plasticity calcium silicate-based cement.

    Science.gov (United States)

    Silva, Emmanuel Jnl; Carvalho, Nancy Kudsi; Zanon, Mayara; Senna, Plínio Mendes; DE-Deus, Gustavo; Zuolo, Mário Luis; Zaia, Alexandre Augusto

    2016-06-14

    This study was designed to investigate the resistance to dislodgment provided by MTA HP, a new high-plasticity calcium silicate-based cement. Biodentine and White MTA Angelus were used as reference materials for comparison. Three discs 1 ± 0.1 mm thick were obtained from the middle third of the roots of 5 maxillary canines. Three 0.8-mm-wide holes were drilled on the axial surface of each root disc. Standardized irrigation was performed. Then the holes were dried with paper points and filled with one of the three tested cements. The filled dental slices were immersed in a phosphate-buffered saline (PBS) solution (pH 7.2) for 7 days before the push-out assessment. The Kruskal-Wallis test was applied to assess the effect of each endodontic cement on the push-out bond strength. Mann-Whitney with Bonferroni correction was used to isolate the differences. The alpha-type error was set at 0.05. All specimens had measurable push-out values and no premature failure occurred. There were significant differences among the materials (p <0.05). The Biodentine specimens had the highest push-out bond strength values (p < 0.05). MTA HP had significantly higher bond strength than White MTA (p < 0.05). MTA HP showed better push-out bond strength than its predecessor, White MTA; however, Biodentine had higher dislodgment resistance than both MTA formulations. PMID:27305515

  16. Copeptin Is Associated with Kidney Length, Renal Function, and Prevalence of Simple Cysts in a Population-Based Study

    Science.gov (United States)

    Ponte, Belen; Pruijm, Menno; Ackermann, Daniel; Vuistiner, Philippe; Guessous, Idris; Ehret, Georg; Alwan, Heba; Youhanna, Sonia; Paccaud, Fred; Mohaupt, Markus; Péchère-Bertschi, Antoinette; Vogt, Bruno; Burnier, Michel; Martin, Pierre-Yves; Devuyst, Olivier

    2015-01-01

    Arginine vasopressin (AVP) has a key role in osmoregulation by facilitating water transport in the collecting duct. Recent evidence suggests that AVP may have additional effects on renal function and favor cyst growth in polycystic kidney disease. Whether AVP also affects kidney structure in the general population is unknown. We analyzed the association of copeptin, an established surrogate for AVP, with parameters of renal function and morphology in a multicentric population-based cohort. Participants from families of European ancestry were randomly selected in three Swiss cities. We used linear multilevel regression analysis to explore the association of copeptin with renal function parameters as well as kidney length and the presence of simple renal cysts assessed by ultrasound examination. Copeptin levels were log-transformed. The 529 women and 481 men had median copeptin levels of 3.0 and 5.2 pmol/L, respectively (P<0.001). In multivariable analyses, the copeptin level was associated inversely with eGFR (β=−2.1; 95% confidence interval [95% CI], −3.3 to −0.8; P=0.002) and kidney length (β=−1.2; 95% CI, −1.9 to −0.4; P=0.003) but positively with 24-hour urinary albumin excretion (β=0.11; 95% CI, 0.01 to 0.20; P=0.03) and urine osmolality (β=0.08; 95% CI, 0.05 to 0.10; P<0.001). A positive association was found between the copeptin level and the presence of renal cysts (odds ratio, 1.6; 95% CI, 1.1 to 2.4; P=0.02). These results suggest that AVP has a pleiotropic role in renal function and may favor the development of simple renal cysts. PMID:25270071

  17. VLSI Design of a Variable-Length FFT/IFFT Processor for OFDM-Based Communication Systems

    Directory of Open Access Journals (Sweden)

    Jen-Chih Kuo

    2003-12-01

    Full Text Available The technique of {orthogonal frequency division multiplexing (OFDM} is famous for its robustness against frequency-selective fading channel. This technique has been widely used in many wired and wireless communication systems. In general, the {fast Fourier transform (FFT} and {inverse FFT (IFFT} operations are used as the modulation/demodulation kernel in the OFDM systems, and the sizes of FFT/IFFT operations are varied in different applications of OFDM systems. In this paper, we design and implement a variable-length prototype FFT/IFFT processor to cover different specifications of OFDM applications. The cached-memory FFT architecture is our suggested VLSI system architecture to design the prototype FFT/IFFT processor for the consideration of low-power consumption. We also implement the twiddle factor butterfly {processing element (PE} based on the {{coordinate} rotation digital computer (CORDIC} algorithm, which avoids the use of conventional multiplication-and-accumulation unit, but evaluates the trigonometric functions using only add-and-shift operations. Finally, we implement a variable-length prototype FFT/IFFT processor with TSMC 0.35 μm 1P4M CMOS technology. The simulations results show that the chip can perform (64-2048-point FFT/IFFT operations up to 80 MHz operating frequency which can meet the speed requirement of most OFDM standards such as WLAN, ADSL, VDSL (256∼2K, DAB, and 2K-mode DVB.

  18. Preparation and properties of a starch-based wood adhesive with high bonding strength and water resistance.

    Science.gov (United States)

    Zhang, Yanhua; Ding, Longlong; Gu, Jiyou; Tan, Haiyan; Zhu, Libin

    2015-01-22

    A Highly efficient method was developed for preparing starch-based wood adhesives with high performance, using H2O2, a silane coupling agent and an olefin monomer as an oxidant, cross-linking agent and comonomer, respectively. The effects of various parameters on the shear adhesive strength were investigated in the dry state (DS) and wet state (WS). The results indicated that the bonding strength of starch-based wood adhesives could reach 7.88 MPa in dry state and 4.09 MPa in wet state. The oxidation could reduce the content of the hydroxyl transforming into carboxyl and aldehyde groups, and the graft copolymerization enhanced the thermal stability, which improved the bonding strength and water resistance. The starch-based adhesive and the fractures in the bonded joints were analyzed via Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and thermogravimetric analysis (TGA). The improved properties were attributed to the modified of microstructure of the graft-copolymerized starch-based adhesive. PMID:25439864

  19. A Knowledge-Based Step Length Estimation Method Based on Fuzzy Logic and Multi-Sensor Fusion Algorithms for a Pedestrian Dead Reckoning System

    Directory of Open Access Journals (Sweden)

    Ying-Chih Lai

    2016-05-01

    Full Text Available The demand for pedestrian navigation has increased along with the rapid progress in mobile and wearable devices. This study develops an accurate and usable Step Length Estimation (SLE method for a Pedestrian Dead Reckoning (PDR system with features including a wide range of step lengths, a self-contained system, and real-time computing, based on the multi-sensor fusion and Fuzzy Logic (FL algorithms. The wide-range SLE developed in this study was achieved by using a knowledge-based method to model the walking patterns of the user. The input variables of the FL are step strength and frequency, and the output is the estimated step length. Moreover, a waist-mounted sensor module has been developed using low-cost inertial sensors. Since low-cost sensors suffer from various errors, a calibration procedure has been utilized to improve accuracy. The proposed PDR scheme in this study demonstrates its ability to be implemented on waist-mounted devices in real time and is suitable for the indoor and outdoor environments considered in this study without the need for map information or any pre-installed infrastructure. The experiment results show that the maximum distance error was within 1.2% of 116.51 m in an indoor environment and was 1.78% of 385.2 m in an outdoor environment.

  20. Effect of silica coating and silane surface treatment on the bond strength of soft denture liner to denture base material

    Directory of Open Access Journals (Sweden)

    Saadet Atsu

    2013-07-01

    Full Text Available OBJECTIVE: This study investigated the effects of different surface treatments on the tensile bond strength of an autopolymerizing silicone denture liner to a denture base material after thermocycling. MATERIAL AND METHODS: Fifty rectangular heat-polymerized acrylic resin (QC-20 specimens consisting of a set of 2 acrylic blocks were used in the tensile test. Specimens were divided into 5 test groups (n=10 according to the bonding surface treatment as follows: Group A, adhesive treatment (Ufi Gel P adhesive (control; Group S, sandblasting using 50-µm Al2O3; Group SCSIL, silica coating using 30-µm Al2O3 modified by silica and silanized with silane agent (CoJet System; Group SCA, silica coating and adhesive application; Group SCSILA, silica coating, silane and adhesive treatment. The 2 PMMA blocks were placed into molds and the soft lining materials (Ufi Gel P were packed into the space and polymerized. All specimens were thermocycled (5,000 cycles before the tensile test. Bond strength data were analyzed using 1-way ANOVA and Duncan tests. Fracture surfaces were observed by scanning electron microscopy. X-ray photoelectron spectrometer (XPS and Fourier Transform Infrared spectrometer (FTIR analysis were used for the chemical analysis and a profilometer was used for the roughness of the sample surfaces. RESULTS: The highest bond strength test value was observed for Group A (1.35±0.13; the lowest value was for Group S (0.28±0.07 and Group SCSIL (0.34±0.03. Mixed and cohesive type failures were seen in Group A, SCA and SCSILA. Group S and SCSIL showed the least silicone integrations and the roughest surfaces. CONCLUSION: Sandblasting, silica coating and silane surface treatments of the denture base resin did not increase the bond strength of the silicone based soft liner. However, in this study, the chemical analysis and surface profilometer provided interesting insights about the bonding mechanism between the denture base resin and silicone

  1. Phase transition in triglycine family of hydrogen bonded ferroelectrics: An interpretation based on structural studies

    Indian Academy of Sciences (India)

    R R Choudhury; R Chitra; P U Sastry; Amit Das; M Ramanadham

    2004-07-01

    Using the crystal structure, a comprehensive interpretation of the origin of ferroelectricity in the hydrogen bonded triglycine family of crystals is given. Our detailed analysis showed that the instability of nitrogen double well potential plays a driving role in the mechanism of the ferroelectric transitions in these crystals.

  2. Alternating deposition multilayer films of dendrimers/poly(4-vinylpyridine) based on hydrogen bonding

    Institute of Scientific and Technical Information of China (English)

    SUN Jing; WANG Liyan; GAO Jian; YU Xi; ZHANG Xi

    2005-01-01

    @@ Layer-by-layer (LbL) assembly technique has been an important method for constructing layered nanostructural materials[1-4]. Although the electrostatic interaction is the primary driving force for building LbL multilayers, our group[5] and other group[6] have reported early that hydrogen bonding interaction can be also used as the driving force.

  3. Fabrication and Characterization of a Lead Zirconate Titanate Micro Energy Harvester Based on Eutectic Bonding

    Institute of Scientific and Technical Information of China (English)

    LI Yi-Gui; SUN Jian; YANG Chun-Sheng; LIU Jing-Quan; SUGIYAMA Susumu; TANAKA Katsuhiko

    2011-01-01

    A lead zirconate titanate(PZT)-Si energy harvester cantilever with PZT bulk ceramics is fabricated by eutectic bonding, polishing and dicing processes. The feasibility of this process is studied using a successful operation of the cantilever in both actuation and harvesting modes. The first prototype made from a PZT-Au-Si cantiliever is tested. The testing results show the voltage output of 632mV at the frequency of 815Hz when the excitation acceleration is 0.5 g. The PZT and silicon layers are bonded together to form a sandwiched structure using a gold layer as an intermediate layer.%@@ A lead zirconate titanate(PZT)-Si energy harvester cantilever with PZT bulk ceramics is fabricated by eutectic bonding, polishing and dicing processes.The feasibility of this process is studied using a successful operation of the cantilever in both actuation and harvesting modes.The first prototype made from a PZT-Au-Si cantiliever is tested.The testing results show the voltage output of 632mV at the frequency of 815 Hz when the excitation acceleration is 0.5 g.The PZT and silicon layers are bonded together to form a sandwiched structure using a gold layer as an intermediate layer.

  4. A hermetic and room-temperature wafer bonding technique based on integrated reactive multilayer systems

    International Nuclear Information System (INIS)

    This paper focuses on direct deposition and patterning of reactive and nano-scale multilayer films at wafer level. These multilayer structures are called integrated reactive material systems (iRMS). In contrast to the typically used nickel (Ni)/ aluminum (Al) systems, in this work we needed to have our total multilayer film thicknesses smaller than 2.5 µm to reduce stress within the multilayer as well as deposition costs. Thus, we introduced new high energetic iRMS. These films were deposited by using alternating magnetron sputtering from high purity Al- and palladium (Pd)-targets to obtain films with a defined Al:Pd atomic ratio. In this paper, we present the result for reaction characteristics and reaction velocities which were up to 72.5 m s−1 for bond frames with lateral dimensions as low as 20 µm. Furthermore, the feasibility of silicon (Si)–Si, Si–glass as well as Si–ceramic hermetic and metallic wafer bonding at room temperature is presented. We show that by using this bond technology, strong (maximum shear strengths of 235 MPa) and hermetically sealed bond interfaces can be achieved without any additional solder material. (paper)

  5. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding.

    Science.gov (United States)

    Servati Gargari, Masoumeh; Stilinović, Vladimir; Bauzá, Antonio; Frontera, Antonio; McArdle, Patrick; Van Derveer, Donald; Ng, Seik Weng; Mahmoudi, Ghodrat

    2015-12-01

    Three solid materials, [Pb(HL)(SCN)2 ]⋅CH3 OH (1), [Pb(HL)(SCN)2 ] (2), and [Pb(L)(SCN)]n (3), were obtained from Pb(SCN)2 and an unsymmetrical bis-pyridyl hydrazone ligand that can act both as a bridging and as a chelating ligand. In all three the lead center is hemidirectionally coordinated and is thus sterically optimal for participation in tetrel bonding. In the crystal structures of all three compounds, the lead atoms participate in short contacts with thiocyanate sulfur or nitrogen atoms. These contacts are shorter than the sums of the van der Waals radii (3.04-3.47 Å for Pb⋅⋅⋅S and 3.54 Å for Pb⋅⋅⋅N) and interconnect the covalently bonded units (monomers, dimers, and 2D polymers) into supramolecular assemblies (chains and 3D structures). DFT calculations showed these contacts to be tetrel bonds of considerable energy (6.5-10.5 kcal mol(-1) for Pb⋅⋅⋅S and 16.5 kcal mol(-1) for Pb⋅⋅⋅N). A survey of structures in the CSD showed that similar contacts often appear in crystals of Pb(II) complexes with regular geometries, which leads to the conclusion that tetrel bonding plays a significant role in the supramolecular chemistry of Pb(II) . PMID:26489982

  6. Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion

    Energy Technology Data Exchange (ETDEWEB)

    Tariq, M.; Forte, P.A.S. [Instituto de Tecnologia Quimica e Biologica, UNL, Av. Republica, Apt. 127, 2780-901 Oeiras (Portugal); Gomes, M.F. Costa [Laboratoire de Thermodynamique et Interactions Moleculaires, Universite Blaise Pascal, Clermont-Ferrand/C.N.R.S., 24 Avenue des Landais, 63177 Aubiere (France); Lopes, J.N. Canongia [Instituto de Tecnologia Quimica e Biologica, UNL, Av. Republica, Apt. 127, 2780-901 Oeiras (Portugal); Centro de Quimica Estrutural, Instituto Superior Tecnico. Av. Rovisco Pais, 1049-001 Lisboa (Portugal)], E-mail: jnlopes@ist.utl.pt; Rebelo, L.P.N. [Instituto de Tecnologia Quimica e Biologica, UNL, Av. Republica, Apt. 127, 2780-901 Oeiras (Portugal)], E-mail: luis.rebelo@itqb.unl.pt

    2009-06-15

    A systematic study of densities and refractive indices of 17 room temperature ionic liquids is presented at four different temperatures ranging from 293 K to 333 K. The ionic liquids are grouped into four families: 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide, [C{sub n}mim][Ntf{sub 2}], ionic liquids (with n = 2, 4, 6, 8, 10, 12, and 14); 1-alkyl-3-methylimidazolium hexafluorophosphate, [C{sub n}mim][PF{sub 6}], ionic liquids (with n = 4, 6, 8); ionic liquids based on the trihexyl(tetradecyl)phosphonium cation, [P{sub 66614}], combined with the anions bis(trifluoromethylsulfonyl)amide, [Ntf{sub 2}], acetate, [OAc], and triflate, [OTf]; and [C{sub 4}mim]-based ionic liquids combined with the anions [OAc], [OTf], methylsulfate [MeSO{sub 4}], and tetrafluoroborate [BF{sub 4}]. The data obtained were analysed to determine the effect of (i) temperature, (ii) the alkyl chain length of the 1-alkyl-3-methylimidazolium cation, and (iii) the nature of the anion. Different empirical models for the calculation of the densities of the ionic liquids were tested. Molar refractions were also calculated from the volumetric and refractive index data and the values were discussed with the aim of checking their utility in obtaining insights on the intermolecular forces and behaviour in solution of the different ionic liquids.

  7. Chemical bonding in copper-based transparent conducting oxides: CuMO(2) (M = In, Ga, Sc)

    OpenAIRE

    Scanlon, David; ALLEN, JEREMY; WATSON, GRAEME WILLIAM; GODINHO, KATHERINE GITANJALI

    2011-01-01

    PUBLISHED The geometry and electronic structure of copper-based p-type delafossite transparent conducting oxides, CuMO(2) (M = In, Ga, Sc), are studied using the generalized gradient approximation (GGA) corrected for on-site Coulomb interactions (GGA + U). The bonding and valence band compositions of these materials are investigated, and the origins of changes in the valence band features between group 3 and group 13 cations are discussed. Analysis of the effective masses at the valence an...

  8. A 90 GHz Amplifier Assembled Using a Bump-Bonded InP-Based HEMT

    Science.gov (United States)

    Pinsukanjana, Paul R.; Samoska, Lorene A.; Gaier, Todd C.; Smith, R. Peter; Ksendzov, Alexander; Fitzsimmons, Michael J.; Martin, Suzanne C.

    1998-01-01

    We report on the performance of a novel W-band amplifier fabricated utilizing very compact bump bonds. We bump-bonded a high-speed, low-noise InP high electron mobility transistor (HEMT) onto a separately fabricated passive circuit having a GaAs substrate. The compact bumps and small chip size were used for efficient coupling and maximum circuit design flexibility. This new quasi-monolithic millimeter-wave integrated circuit (Q-MMIC) amplifier exhibits a peak gain of 5.8 dB at approx. 90 GHz and a 3 dB bandwidth of greater than 25%. To our knowledge, this is the highest frequency amplifier assembled using bump-bonded technology. Our bump-bonding technique is a useful alternative to the high cost of monolithic millimeter-wave integrated circuits (MMIC's). Effects of the bumps on the circuit appear to be minimal. We used the simple matching circuit for demonstrating the technology - future circuits would have all of the elements (resistors, via holes, bias lines, etc.) included 'in conventional MMIC's. Our design in different from other investigators' efforts in that the bumps are only 8 microns thick by 15 microns wide. The bump sizes were sufficiently small that the devices, originally designed for W-band hybrid circuits, could be bonded without alteration. Figure 3 shows the measured and simulated magnitude of S-parameters from 85-120 GHz, of the InP HEMT bump-bonded to the low noise amplifier (LNA) passive. The maximum gain is 5.8 dB at approx. 90 GHz, and gain extends to 117 GHz. Measurement of a single device (without matching networks) shows approx. 1 dB of gain at 90 GHz. The measured gain of the amplifier agrees well with the design in the center of the measurement band, and the agreement falls off at the band edges. Since no accommodation for the bump-bonding parasitics was made in the design, the result implies that the parasitic elements associated with the bonding itself do not dominate the performance of the LNA circuit. It should be noted that this

  9. Effect of cpp-acp on the bond strength of silorane and methacrylate based restorative systems

    Directory of Open Access Journals (Sweden)

    Bruno de Castro Ferreira Barreto

    2013-04-01

    Full Text Available This study evaluated the influence of the previous application of casein phosphopeptide amorphous calcium phosphate (CPP-ACP on the bond strength of two restorative systems to dentin. Self-etching adhesive systems Clearfil SE Bond (Kuraray and FiltekTM LS System Adhesive (3M ESPE were used in combination with two micro-hybrid composites FiltekTM Z250 (3M ESPE and FiltekTM LS (3M ESPE, respectively. Twenty-eight sound human third molars had the occlusal surface worn until the total exposure of dentin and were randomly divided into 4 groups (n = 7: G1 (Clearfil + Z250, G2 (CPP-ACP + Clearfil + Z250, G3 (LS system and G4 (CPP-ACP + LS system. The application of the paste containing CPP-ACP was held in the dentin of G2 and G4 prior to adhesive protocol, which followed the manufacturer's recommendations. Two cylinders of a single increment of resin composite were built on each dentin surface using tygon`s matrix with 1.26 mm of diameter x 1 mm high and light-cured with LED Bluephase 16i (Vivadent apparatus. Microshear bond strength test was conducted in a universal testing machine (EZ Test, Shimadzu with a speed of 0.5 mm/min. The data were subjected to two-way ANOVA test with a significance of 5%. There was no significant difference on bond strength between restorative systems with or without the previous use of a CPP-ACP paste. It was concluded that the application of CPP-ACP in the dentin prior to adhesive protocol did not influence the bond strength of the restorative systems tested.

  10. Evaluation of shear bond strength of metal bracket to enamel after application of primers over bracket base-an in vitro study

    OpenAIRE

    Firuzbakht MM; Hedayati Z

    2011-01-01

    "nBackground and Aims: The aim of this study was to evaluate the effect of application of two types of primers over bracket bases on the shear bond strength (SBS) and mode of bond failure."nMaterials and Methods: In this study, 75 human premolar teeth were divided into three equal groups. In group 1 (control), after surface preparation of enamel by conventional method (acid etching+primer) brackets were bonded with Transbond XT composite. In group 2 (TX), brackets were bond...

  11. INCLUSION RATIO BASED ESTIMATOR FOR THE MEAN LENGTH OF THE BOOLEAN LINE SEGMENT MODEL WITH AN APPLICATION TO NANOCRYSTALLINE CELLULOSE

    Directory of Open Access Journals (Sweden)

    Mikko Niilo-Rämä

    2014-06-01

    Full Text Available A novel estimator for estimating the mean length of fibres is proposed for censored data observed in square shaped windows. Instead of observing the fibre lengths, we observe the ratio between the intensity estimates of minus-sampling and plus-sampling. It is well-known that both intensity estimators are biased. In the current work, we derive the ratio of these biases as a function of the mean length assuming a Boolean line segment model with exponentially distributed lengths and uniformly distributed directions. Having the observed ratio of the intensity estimators, the inverse of the derived function is suggested as a new estimator for the mean length. For this estimator, an approximation of its variance is derived. The accuracies of the approximations are evaluated by means of simulation experiments. The novel method is compared to other methods and applied to real-world industrial data from nanocellulose crystalline.

  12. Evaluation of shear bond strength of two resin-based composites and glass ionomer cement to pure tricalcium silicate-based cement (Biodentine®

    Directory of Open Access Journals (Sweden)

    Kenan CANTEK?N

    2014-07-01

    Full Text Available Objectives: Tricalcium silicate is the major constituent phase in mineral trioxide aggregate (MTA. It is thus postulated that pure tricalcium silicate can replace the Portland cement component of MTA. The aim of this study was to evaluate bond strength of methacrylate-based (MB composites, silorane-based (SB composites, and glass ionomer cement (GIC to Biodentine® and mineral trioxide aggregate (MTA. Material and Methods: Acrylic blocks (n=90, 2 mm high, 5 mm diameter central hole were prepared. In 45 of the samples, the holes were fully filled with Biodentine® and in the other 45 samples, the holes were fully filled with MTA. The Biodentine® and the MTA samples were randomly divided into 3 subgroups of 15 specimens each: Group-1: MB composite; Group-2: SB composite; and Group-3: GIC. For the shear bond strength (SBS test, each block was secured in a universal testing machine. Results: The highest (17.7±6.2 MPa and the lowest (5.8±3.2 MPa bond strength values were recorded for the MB composite-Biodentine® and the GIC-MTA, respectively. Although the MB composite showed significantly higher bond strength to Biodentine (17.7±6.2 than it did to MTA (8.9±5.7 (p<0.001, the SB composite (SB and MTA=7.4±3.3; SB and Biodentine®=8.0±3,6 and GIC (GIC and MTA=5.8±3.2; GIC and Biodentine=6.7±2.6 showed similar bond strength performance with MTA compared with Biodentine (p=0.73 and p=0.38, respectively. Conclusions: The new pure tricalcium-based pulp capping, repair, and endodontic material showed higher shear bond scores compared to MTA when used with the MB composite.

  13. Supersymmetric Valence Bond Solid States

    OpenAIRE

    Arovas, Daniel P.; Hasebe, Kazuki; Qi, Xiao-Liang; Zhang, Shou-Cheng

    2009-01-01

    In this work we investigate the supersymmetric version of the valence bond solid (SVBS) state. In one dimension, the SVBS states continuously interpolate between the valence bond states for integer and half-integer spin chains, and they generally describe superconducting valence bond liquid states. Spin and superconducting correlation functions can be computed exactly for these states, and their correlation lengths are equal at the supersymmetric point. In higher dimensions, the wave function...

  14. Optical fiber strain sensor based on sandwiched long-period fiber gratings with a surface bonding layer

    Science.gov (United States)

    Chiang, Chia-Chin; Li, Chien-Hsing

    2014-10-01

    An optical fiber strain sensor based on sandwiched long-period fiber gratings (OFSS-SLPFG) with a surface bonding layer is proposed. The proposed OFSS-SLPFG is an etched optical fiber that is sandwiched between two thick photoresists with a periodic structure. To prevent the glue effect in the surface bonding process, where glue flows into the SLPFG structure, reducing the coupling strength, a surface bonding layer (thickness: 16 μm) is used as the base layer on the bottom of the OFSS-SLPFG. The OFSS-SLPFG is, therefore, more effective for use as a strain sensor. When external strain loading is applied, the resonant dip loss of the OFSS-SLPFG is reflected linearly. A bending strain calibration experiment is demonstrated by the four-point bending test. The results show an average linearity (R2) of 0.980, with a sensitivity of 0.00788 dB/με. This phenomenon suggests that the OFSS-SLPFG can be utilized as a sensitive strain transducer.

  15. Formation process,microstructure and mechanical property of transient liquid phase bonded aluminium-based metal matrix composite joint

    Institute of Scientific and Technical Information of China (English)

    孙大谦; 刘卫红; 贾树盛; 邱小明

    2004-01-01

    The formation process, microstructure and mechanical properties of transient liquid phase (TLP) bonded aluminium-based metal matrix composite (MMC) joint with copper interlayer were investigated. The formation process of the TLP joint comprises a number of stages: plastic deformation and solid diffusion (stage 1), dissolution of interlayer and base metal (stage 2), isothermal solidification (stage 3) and homogenization (stage 4). The microstructure of the joint depends on the joint formation process (distinct stages). The plastic deformation and solid diffusion in stage 1 favoure the intimate contact at interfaces and liquid layer formation. The microstructure of joint consists of aluminium solid solution, alumina particle, Al2Cu and MgAl2O4 compounds in stage 2. The most pronounced feature of joint microstructure in stage 3 is the alumina particle segregation in the center of the joint. The increase of joint shear strength with increasing bonding temperature is mainly attributed to improving the fluidity and wettability of liquid phase and decreasing the amount of Al2Cu brittle phase in the joint. The principal reason of higher bonding temperature (>600 ℃) resulting in lowering obviously the joint shear strength is the widening of alumina particle segregation region that acts as a preferential site for failure. The increase of joint shear strength with increasing holding time is mainly associated with decreasing the amount of Al2 Cu brittle phase and promoting homogenization of joint.

  16. On tuning the fluorescence emission of porphyrin free bases bonded to the pore walls of organo-modified silica.

    Science.gov (United States)

    Quiroz-Segoviano, Rosa I Y; Serratos, Iris N; Rojas-González, Fernando; Tello-Solís, Salvador R; Sosa-Fonseca, Rebeca; Medina-Juárez, Obdulia; Menchaca-Campos, Carmina; García-Sánchez, Miguel A

    2014-01-01

    A sol-gel methodology has been duly developed in order to perform a controlled covalent coupling of tetrapyrrole macrocycles (e.g., porphyrins, phthalocyanines, naphthalocyanines, chlorophyll, etc.) to the pores of metal oxide networks. The resulting absorption and emission spectra intensities in the UV-VIS-NIR range have been found to depend on the polarity existing inside the pores of the network; in turn, this polarization can be tuned through the attachment of organic substituents to the tetrapyrrrole macrocycles before bonding them to the pore network. The paper shows clear evidence of the real possibility of maximizing fluorescence emissions from metal-free bases of substituted tetraphenylporphyrins, especially when these molecules are bonded to the walls of functionalized silica surfaces via the attachment of alkyl or aryl groups arising from the addition of organo-modified alkoxides. PMID:24566303

  17. On Tuning the Fluorescence Emission of Porphyrin Free Bases Bonded to the Pore Walls of Organo-Modified Silica

    Directory of Open Access Journals (Sweden)

    Rosa I. Y. Quiroz-Segoviano

    2014-02-01

    Full Text Available A sol-gel methodology has been duly developed in order to perform a controlled covalent coupling of tetrapyrrole macrocycles (e.g., porphyrins, phthalocyanines, naphthalocyanines, chlorophyll, etc. to the pores of metal oxide networks. The resulting absorption and emission spectra intensities in the UV-VIS-NIR range have been found to depend on the polarity existing inside the pores of the network; in turn, this polarization can be tuned through the attachment of organic substituents to the tetrapyrrrole macrocycles before bonding them to the pore network. The paper shows clear evidence of the real possibility of maximizing fluorescence emissions from metal-free bases of substituted tetraphenylporphyrins, especially when these molecules are bonded to the walls of functionalized silica surfaces via the attachment of alkyl or aryl groups arising from the addition of organo-modified alkoxides.

  18. In vitro Evaluation of Microleakage of Orthodontic Brackets Bonded Using Methacrylate and Silorane Base Composite

    OpenAIRE

    AR Davari; S Yassaei; AR Danesh Kazemi; Z Tajabadi

    2015-01-01

    Background: One of the orthodontic treatment problems, which causes marginal gaps and microleakage between tooth and composite is microleakage of composite bonding of orthodontic brackets. The microleakage formation permitting the passage of bacteria and oral fluids, which may cause white spot lesions under the brackets surface area.This is a clinical problem during orthodontic treatment. Few studies have been conducted in this area. The aim of this study was comparison of microleakage of com...

  19. In situ metalation of free base phthalocyanine covalently bonded to silicon surfaces

    Directory of Open Access Journals (Sweden)

    Fabio Lupo

    2014-11-01

    Full Text Available Free 4-undecenoxyphthalocyanine molecules were covalently bonded to Si(100 and porous silicon through thermic hydrosilylation of the terminal double bonds of the undecenyl chains. The success of the anchoring strategy on both surfaces was demonstrated by the combination of X-ray photoelectron spectroscopy with control experiments performed adopting the commercially available 2,3,9,10,16,17,23,24-octakis(octyloxy-29H,31H-phthalocyanine, which is not suited for silicon anchoring. Moreover, the study of the shape of the XPS N 1s band gave relevant information on the interactions occurring between the anchored molecules and the substrates. The spectra suggest that the phthalocyanine ring interacts significantly with the flat Si surface, whilst ring–surface interactions are less relevant on porous Si. The surface-bonded molecules were then metalated in situ with Co by using wet chemistry. The efficiency of the metalation process was evaluated by XPS measurements and, in particular, on porous silicon, the complexation of cobalt was confirmed by the disappearance in the FTIR spectra of the band at 3290 cm−1 due to –NH stretches. Finally, XPS results revealed that the different surface–phthalocyanine interactions observed for flat and porous substrates affect the efficiency of the in situ metalation process.

  20. Effect of Beverages on the Hardness and Tensile Bond Strength of Temporary Acrylic Soft Liners to Acrylic Resin Denture Base

    Directory of Open Access Journals (Sweden)

    Safari A.

    2013-12-01

    Full Text Available Statement of Problem: Two potential problems commonly identified with a denture base incorporating a resilient liner are failure of the bond between acrylic resin and soft liner material, and loss of resiliency of the soft liner over time. Since patients may drink different beverages, it is important to evaluate their effects on physical properties of soft lining materials.Purpose: The objective of this in vitro study was to evaluate the effect of different beverages on the hardness of two temporary acrylic-based soft lining materials and their bond strength to the denture base resin.Materials and Method: For the hardness test; a total of 80 rectangular specimens (40mm×10mm×3mm were fabricated from a heat-polymerized polymethylmethacrylate. Two commercially auto-polymerized acrylic resin-based resilient liners; Coe-Soft and Visco-gel were prepared according to the manufacturers’ instructions and applied on the specimens. For the tensile test, 160 cylindrical specimens (30mm×10mm were prepared. The liners were added between specimens with a thickness of 3 mm. The specimens of both soft liners were divided into 4 groups (n=10 and immersed in distilled water as the control group, Coca-Cola, 8% and 50% ethanol. All groups were stored in separate containers at 37oC for 12 days. All beverages were changed daily. The hardness was determined using a Shore A durometer and tensile bond strength was determined in a ZwickRoell testing machine at a cross-head speed of 5mm/min. The results were analyzed using two-way ANOVA.Results: There was no significant interaction between the soft liners and the drinks for both hardness (p= 0.748 and bond strength (p= 0.902. There were statistically signifi-cant differences between all drinks for both hardness (p< 0.001 and bond strength (p< 0.05.Conclusion: Within the limitations of this study, it seems that drinking Coca-Cola and alcoholic beverages would not be potentially causing any problems for the temporary

  1. Bond strength of a calcium silicate-based sealer tested in bulk or with different main core materials

    OpenAIRE

    Nagas, Emre; Cehreli, Zafer; Mehmet Ozgur UYANIK; Veli DURMAZ

    2014-01-01

    The aim of this study was to evaluate the influence of a calcium silicate-based sealer (iRoot SP), with or without a core material, on bond strength to radicular dentin, in comparison with various contemporary root filling systems. Root canals of freshly extracted single-rooted teeth (n = 60) were instrumented using rotary instruments. The roots were randomly assigned to one of the following experimental groups: (1) a calcium silicate-based sealer without a core material (bulk-fill); (2) a ca...

  2. Evaluation of bond strength of silorane and methacrylate based restorative systems to dentin using different cavity models

    OpenAIRE

    Stephano Zerlottini Isaac; Ana Claudia Pietrobom Bergamin; Cecilia Pedroso Turssi; Flavia Lucisano Botelho do Amaral; Roberta Tarkany Basting; Fabiana Mantovani Gomes Franca

    2013-01-01

    OBJECTIVE: The aim of this in vitro study was to evaluate the microtensile bond strength (µTBS) to dentin of two different restorative systems: silorane-based (P90), and methacrylate-based (P60), using two cavity models. MATERIAL AND METHODS: Occlusal enamel of 40 human third molars was removed to expose flat dentin surface. Class I cavities with 4 mm mesial-distal width, 3 mm buccal-lingual width and 3 mm depth (C-factor=4.5) were prepared in 20 teeth, which were divided into two groups (n...

  3. Influence of metal bonding layer on strain transfer performance of FBG

    Science.gov (United States)

    Liu, Hao; Chen, Weimin; Zhang, Peng; Liu, Li; Shu, Yuejie; Wu, Jun

    2013-01-01

    Metal bonding layer seriously affects the strain transfer performance of Fiber Bragg Grating (FBG). Based on the mode of FBG strain transfer, the influence of the length, the thickness, Poisson's ratio, elasticity modulus of metal bonding layer on the strain transfer coefficient of FBG is analyzed by numerical simulation. FBG is packaged to steel wire using metal bonding technology of FBG. The tensile tests of different bonding lengths and elasticity modulus are carried out. The result shows the strain transfer coefficient of FBGs are 0.9848,0.962 and their average strain sensitivities are 1.076 pm/μɛ,1.099 pm/μɛ when the metal bonding layer is zinc, whose lengths are 15mm, 20mm, respectively. The strain transfer coefficient of FBG packaged by metal bonding layer raises 8.9 percent compared to epoxy glue package. The preliminary experimental results show that the strain transfer coefficient increases with the length of metal bonding layer, decreases with the thickness of metal bonding layer and the influence of Poisson's ratio can be ignored. The experiment result is general agreement with the analysis and provides guidance for metal package of FBG.

  4. Depressive symptoms are not associated with leukocyte telomere length: findings from the Nova Scotia Health Survey (NSHS95, a population-based study.

    Directory of Open Access Journals (Sweden)

    Jonathan A Shaffer

    Full Text Available BACKGROUND: Premature shortening of leukocyte telomere length has been proposed as a novel mechanism by which depression may confer increased risk of adverse cardiovascular events. Prior studies demonstrating associations of depression and depressive symptoms with shorter leukocyte telomere length were small, included selected psychiatric outpatients, were based on convenience samples, and/or adjusted for a limited number of possible confounding factors. METHODS AND FINDINGS: We examined the associations of depressive symptoms, probable depressive disorder, and specific depressive symptom clusters, as assessed by the Center for Epidemiological Studies--Depression (CES-D scale, with leukocyte telomere length, measured by using a real-time PCR method, in 2,225 apparently healthy participants from the 1995 Nova Scotia Health Survey population-based study. The mean age was 48.2 ± 18.9 years; 49.9% of participants were female; and the mean CES-D score was 7.4 ± 7.9. The mean telomere length was 5,301 ± 587 base pairs. In an unadjusted model, depressive symptoms were significantly associated with longer leukocyte telomere length (B = 27.6 base pairs per standard deviation increase in CES-D, 95% confidence interval [CI] = 3.1-52.1, p = 0.027. This association was no longer significant after adjustment for age and sex (B = 9.5, 95% CI = -14.6-33.6, p = 0.44 or after further adjustment for body mass index, Framingham risk score and previous history of ischemic heart disease (all p's ≥ 0.37. Neither probable depressive disorder nor specific depressive symptom clusters were independently associated with leukocyte telomere length. CONCLUSIONS: Concurrent depressive symptoms were not associated with leukocyte telomere length in a large, representative, population-based study.

  5. Length-scale dependent mechanical properties of Al-Cu eutectic alloy: Molecular dynamics based model and its experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Tiwary, C. S., E-mail: cst.iisc@gmail.com; Chattopadhyay, K. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India); Chakraborty, S.; Mahapatra, D. R. [Department of Aerospace Engineering, Indian Institute of Science, Bangalore 560012 (India)

    2014-05-28

    This paper attempts to gain an understanding of the effect of lamellar length scale on the mechanical properties of two-phase metal-intermetallic eutectic structure. We first develop a molecular dynamics model for the in-situ grown eutectic interface followed by a model of deformation of Al-Al{sub 2}Cu lamellar eutectic. Leveraging the insights obtained from the simulation on the behaviour of dislocations at different length scales of the eutectic, we present and explain the experimental results on Al-Al{sub 2}Cu eutectic with various different lamellar spacing. The physics behind the mechanism is further quantified with help of atomic level energy model for different length scale as well as different strain. An atomic level energy partitioning of the lamellae and the interface regions reveals that the energy of the lamellae core are accumulated more due to dislocations irrespective of the length-scale. Whereas the energy of the interface is accumulated more due to dislocations when the length-scale is smaller, but the trend is reversed when the length-scale is large beyond a critical size of about 80 nm.

  6. Length-scale dependent mechanical properties of Al-Cu eutectic alloy: Molecular dynamics based model and its experimental verification

    International Nuclear Information System (INIS)

    This paper attempts to gain an understanding of the effect of lamellar length scale on the mechanical properties of two-phase metal-intermetallic eutectic structure. We first develop a molecular dynamics model for the in-situ grown eutectic interface followed by a model of deformation of Al-Al2Cu lamellar eutectic. Leveraging the insights obtained from the simulation on the behaviour of dislocations at different length scales of the eutectic, we present and explain the experimental results on Al-Al2Cu eutectic with various different lamellar spacing. The physics behind the mechanism is further quantified with help of atomic level energy model for different length scale as well as different strain. An atomic level energy partitioning of the lamellae and the interface regions reveals that the energy of the lamellae core are accumulated more due to dislocations irrespective of the length-scale. Whereas the energy of the interface is accumulated more due to dislocations when the length-scale is smaller, but the trend is reversed when the length-scale is large beyond a critical size of about 80 nm.

  7. Weak bond screening system

    Science.gov (United States)

    Chuang, S. Y.; Chang, F. H.; Bell, J. R.

    Consideration is given to the development of a weak bond screening system which is based on the utilization of a high power ultrasonic (HPU) technique. The instrumentation of the prototype bond strength screening system is described, and the adhesively bonded specimens used in the system developmental effort are detailed. Test results obtained from these specimens are presented in terms of bond strength and level of high power ultrasound irradiation. The following observations were made: (1) for Al/Al specimens, 2.6 sec of HPU irradiation will screen weak bond conditions due to improper preparation of bonding surfaces; (2) for composite/composite specimens, 2.0 sec of HPU irradiation will disrupt weak bonds due to under-cured conditions; (3) for Al honeycomb core with composite skin structure, 3.5 sec of HPU irradiation will disrupt weak bonds due to bad adhesive or oils contamination of bonding surfaces; and (4) for Nomex honeycomb with Al skin structure, 1.3 sec of HPU irradiation will disrupt weak bonds due to bad adhesive.

  8. Fabrication of polymer-based reflowed microlenses on optical fibre with control of focal length using differential coating technique

    Indian Academy of Sciences (India)

    Mohammed Ashraf; Franck Chollet; Murukeshan Matham; Chun Yang

    2009-08-01

    Thermal reflow of polymer to generate spherical profile has been used to fabricate microlenses in this paper. A simple model based on the volume conservation (before and after reflow) and geometrical consideration of lens profile, shows that the focal length of the microlens produced by reflow technique is a function of the initial geometry of microcylinders, i.e. diameter and thickness. This relationship of focal length with diameter and thickness is used as a basis to control focal length. A simple spin coating technique on dual surface is used to achieve differential thickness, to control the focal length of microlenses produced on the same substrate. A biomedical application of such combination of microlenses is endoscopy where the lenses of varying diameter and equal focal length are needed on top of optical fibre bundles to provide independent function of illumination and imaging. This paper incorporates the differential thickness technique to show a micro fabrication process to produce the polymer reflowed microlenses, with a control of focal length based on thickness. The design also helps to integrate these microlenses on top an optical fibre with accurate alignment.

  9. Design and fabrication of high performance wafer-level vacuum packaging based on glass–silicon–glass bonding techniques

    International Nuclear Information System (INIS)

    In this paper, a high performance wafer-level vacuum packaging technology based on GSG triple-layer sealing structure for encapsulating large mass inertial MEMS devices fabricated by silicon-on-glass bulk micromachining technology is presented. Roughness controlling strategy of bonding surfaces was proposed and described in detail. Silicon substrate was thinned and polished by CMP after the first bonding with the glass substrate and was then bonded with the glass micro-cap. Zr thin film was embedded into the concave of the micro-cap by a shadow-mask technique. The glass substrate was thinned to about 100 µm, wet etched through and metalized for realizing vertical feedthrough. During the fabrication, all patterning processes were operated carefully so as to reduce extrusive fragments to as little as possible. In addition, a high-performance micro-Pirani vacuum gauge was integrated into the package for monitoring the pressure and the leak rate further. The result shows that the pressure in the package is about 120 Pa and has no obvious change for more than one year indicating 10−13 stdcc s−1 leak rate. (paper)

  10. Emergence of superconductivity, valence bond order and Mott insulators in Pd[(dmit)2] based organic salts

    Science.gov (United States)

    Kee, Hae-Young

    2014-03-01

    The EtMe3P and EtMe3Sb nearly triangular organic salts are distinguished from most other Pd[(dmit)2] based salts, as they display valence bond and no long range order, respectively. Under pressure, a superconducting phase is revealed in EtMe3P near the boundary of valence bond order. We use slave-rotor theory with an enlarged unit cell to study competition between uniform and broken translational symmetry states, offering a theoretical framework capturing the superconducting, valence bond order, spin liquid, and metallic phases on an isotropic triangular lattice. Our finite temperature phase diagram manifests a remarkable resemblance to the phase diagram of the EtMe3P salt, where the re-entrant transitions of the type insulator-metal-insulator can be explained by an entropy difference between metal and the U(1) spin liquid. We find that the superconducting pairing symmetry is d +/- id , and predict different temperature dependences of the specific heat between the spin liquid and metal. Canadian Institute for Advanced Research, NSERC of Canada.

  11. Microtensile bond strength of a resin-based fissure sealant to Er,Cr:YSGG laser-etched primary enamel.

    Science.gov (United States)

    Sungurtekin-Ekci, Elif; Oztas, Nurhan

    2016-05-01

    The aim of this study was to evaluate the effect of Er,Cr:YSGG laser pre-treatment alone, or associated with acid-etching, on the microtensile bond strength of a resin-based fissure sealant to primary enamel. Twenty-five human primary molars were randomly divided into five groups including (1) 35 % acid etching, (2) 2.5-W laser etching, (3) 3.5-W laser etching, (4) 2.5-W laser etching + acid etching, and (5) 3.5-W laser etching + acid etching. Er,Cr:YSGG laser was used at a wavelength of 2.780 nm and pulse duration of 140-200 μs with a repetition rate of 20 Hz. Following surface pre-treatment, the fissure sealant (ClinPro™, 3M Dental Products) was applied. Each tooth was sectioned and subjected to microtensile testing. Kruskal-Wallis test was used for statistical analysis. The level of significance was set at p < 0.05. The microtensile bond strength values of group 1 were significantly higher than those of group 2, while no statistically significant difference was detected between groups 1, 3, 4, and 5. It was concluded that 3.5-W laser etching produced results comparable to conventional acid etching technique, whereas 2.5-W laser etching was not able to yield adequate bonding performance. PMID:25847685

  12. Bonding stress-slip constitutive behavior between bars and grout concrete

    Institute of Scientific and Technical Information of China (English)

    ZHENG Yi; LIU Ming; ZHOU Jing-hai; WANG Bing

    2009-01-01

    To establish bonding stress--slip constitutive model between bars and grout concrete, 13 test specimens were employed to study the bonding behavior and the force transfer of bars adhered to grout concrete. The bonding stress development of bars adhered to grout concrete was analyzed. The local bonding stress--slip curve was obtained. Based on the test results, a new bonding stress--slip constitutive model between bars and grout concrete was proposed. The results show that the maximum bonding stress is not influenced by the bar bond length, but it is strengthened when the splitting strength of grout concrete is increased. The model matches the experimental results well, and the regressing coefficient equals 1.7.

  13. BASE-INDUCED RELEASE OF MOLECULES FROM HYDROGEN BONDING DIRECTED LAYER-BY-LAYER FILM

    Institute of Scientific and Technical Information of China (English)

    Yu Fu; Huan Chen; Shi-long Bai; Feng-wei Huo; Zhi-qiang Wang; Xi Zhang

    2003-01-01

    On the basis of hydrogen bonding directed layer-by-layer (LbL) assembly we have fabricated two multilayer systems, poly(acrylic acid) bearing spironaphthoxazine (PAA-SO)/poly(4-vinylpyridine) and carboxyl-terminated polyether dendrimer (dendrimer-COOH)/poly(4-vinylpyridine). UV-Vis spectroscopy indicates that either PAA-SO or dendrimer COOH can be released from the corresponding multilayer assemblies upon immerssion in a basic aqueous solution.Furthermore, the rate of molecule release can be controlled either by changing the pH value or by adjusting the layer structure.

  14. 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.

  15. [Comparative analysis of three length based methods for estimating growth of the tilapia Oreochromis aureus (Perciformes: Cichlidae) in a tropical lake of Mexico].

    Science.gov (United States)

    Arellano-Torres, Andrés; Hernández Montaño, Daniel; Meléndez Galicia, Carlos

    2013-09-01

    A comparative analysis of three length based methods for estimating growth of the tilapia Oreochromis aureus (Perciformes: Cichlidae) in a tropical lake of Mexico. Several methods are now available to estimate fish individual growth based upon the distribution of body lengths in a population. Comparative analyses of length-based methods have been undertaken mainly for marine species; nevertheless, limited information is available for inland species. Tilapia is one of the most important freshwater fisheries and its growth parameters have been estimated by several authors, usually using one length-based method. Thus, the main objectives of this study were: a) to estimate growth parameters of O. aureus from Chapala lake, Mexico, using three length-based methods ELEFAN, PROJMAT and SLCA; b) to quantify the effect of input data variations in growth parameters estimates by the jackknife technique; and c) to compare the new estimates with those previously reported, through the standard growth index phi. We collected and analyzed a total of 1,973 specimens from commercial landings from January to December 2010. The three length-base methods used in the present study resulted in parameter estimates within the range of those reported in other studies. Results derived from jackknife analysis revealed lowest values in the error percentage and coefficient of variation for L infinity when applying ELEFAN, while PROJMAT showed lowest values in the precision estimators for K, which was very similar to ELEFAN. Estimates of the comparative growth index phi were also very similar to those reported for the same species when studied in different reservoirs. Considering our results, we suggest the use of ELEFAN rather than SLCA due to its accuracy to estimate growth parameters for O. aureus. PMID:24044136

  16. From hydrogen bonding to metal coordination and back: Porphyrin-based networks on Ag(111).

    Science.gov (United States)

    Studener, F; Müller, K; Marets, N; Bulach, V; Hosseini, M W; Stöhr, M

    2015-03-14

    The self-assembly of a metal-free porphyrin bearing two pyridyl coordinating sites and two pentyl chains at trans meso positions was investigated under ultrahigh vacuum on a Ag(111) surface by scanning tunneling microscopy (STM). The STM measurements revealed a well-ordered close-packed structure with a rhombic unit cell for coverages ≤1 monolayer with their molecular plane parallel to the surface. The growth direction of the molecular islands is aligned along the step edges, which are restructured due to molecule-substrate interactions. The shorter unit cell vector of the molecular superstructure follows the〈1-10〉direction of the Ag(111) substrate. Hydrogen bonds between pyridyl and pyrrole groups of neighboring molecules as well as weak van der Waals forces between the pentyl chains stabilize the superstructure. Deposition of cobalt atoms onto the close-packed structure at room temperature leads to the formation of a hexagonal porous network stabilized by metal-ligand bonding between the pyridyl ligands and the cobalt atoms. Thermal annealing of the Co-coordination network at temperatures >450 K results in the transformation of the hexagonal network into a second close-packed structure. Changes in the molecule-substrate interactions due to metalation of the porphyrin core with Co as well as intermolecular interactions can explain the observed structural transformations. PMID:25770515

  17. From hydrogen bonding to metal coordination and back: Porphyrin-based networks on Ag(111)

    Energy Technology Data Exchange (ETDEWEB)

    Studener, F., E-mail: f.studener@rug.nl; Müller, K.; Stöhr, M., E-mail: m.a.stohr@rug.nl [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands); Marets, N.; Bulach, V., E-mail: bulach@unistra.fr; Hosseini, M. W., E-mail: hosseini@unistra.fr [Laboratoire de Tectonique Moléculaire, UMR UDS-CNRS 7140, Université de Strasbourg, 4 rue Blaise Pascal, 67070 Strasbourg (France)

    2015-03-14

    The self-assembly of a metal-free porphyrin bearing two pyridyl coordinating sites and two pentyl chains at trans meso positions was investigated under ultrahigh vacuum on a Ag(111) surface by scanning tunneling microscopy (STM). The STM measurements revealed a well-ordered close-packed structure with a rhombic unit cell for coverages ≤1 monolayer with their molecular plane parallel to the surface. The growth direction of the molecular islands is aligned along the step edges, which are restructured due to molecule-substrate interactions. The shorter unit cell vector of the molecular superstructure follows the 〈1-10〉 direction of the Ag(111) substrate. Hydrogen bonds between pyridyl and pyrrole groups of neighboring molecules as well as weak van der Waals forces between the pentyl chains stabilize the superstructure. Deposition of cobalt atoms onto the close-packed structure at room temperature leads to the formation of a hexagonal porous network stabilized by metal-ligand bonding between the pyridyl ligands and the cobalt atoms. Thermal annealing of the Co-coordination network at temperatures >450 K results in the transformation of the hexagonal network into a second close-packed structure. Changes in the molecule-substrate interactions due to metalation of the porphyrin core with Co as well as intermolecular interactions can explain the observed structural transformations.

  18. From hydrogen bonding to metal coordination and back: Porphyrin-based networks on Ag(111)

    International Nuclear Information System (INIS)

    The self-assembly of a metal-free porphyrin bearing two pyridyl coordinating sites and two pentyl chains at trans meso positions was investigated under ultrahigh vacuum on a Ag(111) surface by scanning tunneling microscopy (STM). The STM measurements revealed a well-ordered close-packed structure with a rhombic unit cell for coverages ≤1 monolayer with their molecular plane parallel to the surface. The growth direction of the molecular islands is aligned along the step edges, which are restructured due to molecule-substrate interactions. The shorter unit cell vector of the molecular superstructure follows the 〈1-10〉 direction of the Ag(111) substrate. Hydrogen bonds between pyridyl and pyrrole groups of neighboring molecules as well as weak van der Waals forces between the pentyl chains stabilize the superstructure. Deposition of cobalt atoms onto the close-packed structure at room temperature leads to the formation of a hexagonal porous network stabilized by metal-ligand bonding between the pyridyl ligands and the cobalt atoms. Thermal annealing of the Co-coordination network at temperatures >450 K results in the transformation of the hexagonal network into a second close-packed structure. Changes in the molecule-substrate interactions due to metalation of the porphyrin core with Co as well as intermolecular interactions can explain the observed structural transformations

  19. Adhesive Bonding and Self-Curing Characteristics of α-Starch Based Composite Binder for Green Sand Mould/Core

    Institute of Scientific and Technical Information of China (English)

    Xia ZHOU; Jinzong YANG; Guohui QU

    2004-01-01

    Interactions between different components in α-starch based composite binder for green sand mould/core were investigated by using XRD, IR spectra, 1H NMR spectra and SEM. Several adhesive hardening structures and theories of the binder at room temperature were proposed according to the interactions between various compositions. Thus,the reasons for the binder to have excellent combination properties and unique adhesive bonding and self-curing characteristics were explained by these theories successfully. And the theories are of great directive importance to design and development of composite binder for green sand mould/core.

  20. Mechanism of gold solvent extraction from aurocyanide solution by quaternary amines: models of extracting species based on hydrogen bonding

    Institute of Scientific and Technical Information of China (English)

    马刚; 闫文飞; 陈景; 严纯华; 高宏成; 周维金; 施鼐; 吴谨光; 徐光宪; 黄昆; 余建民; 崔宁

    2000-01-01

    The mechanism of gold solvent extraction from KAu(CN)2 solution was investigated by means of FTIR, EXAFS, ICP and radioactive tracer methods. Two extraction systems were studied, namely N263-tributyl phosphate(TBP)-n-dodecane and N263-iso-octanol-n-dodecane. High-resolution FT IR spectroscopy indicated that the CN stretching vibrations of the two extraction systems differred greatly. In order to interpret the significant difference in CN stretching vibrations, twoextracting species models are proposed——supramolecular structures based on the formation ofhydrogen bonds between Au(CN)2- and modifiers such as TBP and iso-octanol.

  1. Mechanism of gold solvent extraction from aurocyanide solution by quaternary amines: models of extracting species based on hydrogen bonding

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The mechanism of gold solvent extraction from KAu(CN)2 solution was investigated by means of FTIR, EXAFS, ICP and radioactive tracer methods. Two extraction systems were studied, namely N263-tributyl phosphate(TBP)-n-dodecane and N263-iso-octanol-n-dodecane. High-reso- lution FT IR spectroscopy indicated that the CN stretching vibrations of the two extraction systems differred greatly. In order to interpret the significant difference in CN stretching vibrations, two extracting species models are proposed supramolecular structures based on the formation of hydrogen bonds between Au(CN)2- and modifiers such as TBP and iso-octanol.

  2. Self-assembly of Hydrazide-based Heterodimers Driven by Hydrogen Bonding and Donor-Acceptor Interaction

    Institute of Scientific and Technical Information of China (English)

    FENG,Dai-Jun; WANG,Peng; LI,Xiao-Qiang; LI,Zhan-Ting

    2006-01-01

    A new series of hydrogen bonding-driven heterodimers have been self-assembled in chloroform from hydrazide-based monomers. Additional intermolecular donor-acceptor interaction between the electron-rich bis(p-phenylene)-34-crown-10 unit and the electron-deficient naphthalene diimide unit has been utilized to increase the stability of the dimmers, and pronounced cooperativity of the two discrete non-covalent forces to stabilize the dimer has been revealed by the quantitative 1H (2D) NMR and UV-Vis experiments.

  3. Pricing convertible bonds based on a multi-stage compound-option model

    Science.gov (United States)

    Gong, Pu; He, Zhiwei; Zhu, Song-Ping

    2006-07-01

    In this paper, we introduce the concept of multi-stage compound options to the valuation of convertible bonds (CBs). Rather than evaluating a nested high-dimensional integral that has arisen from the valuation of multi-stage compound options, we found that adopting the finite difference method (FDM) to solve the Black-Scholes equation for each stage actually resulted in a better numerical efficiency. By comparing our results with those obtained by solving the Black-Scholes equation directly, we can show that the new approach does provide an approximation approach for the valuation of CBs and demonstrate that it offers a great potential for a further extension to CBs with more complex structures such as those with call and/or put provisions.

  4. Mixed Intramolecular Hydrogen Bonding in Dihydroxythiophene-based Units and Boron and Technetium Chelation

    International Nuclear Information System (INIS)

    Three novel potential metal ion chelating units have been synthesized and characterized: 5-hexylcarbamoyl- 3,4-dihydroxythiophene-2-carboxylic acid methyl ester (5), 3-benzyloxy-4-hydroxythiophene-2,5-dicarboxylic acid bis-hexylamide (6), and 3,4-dihydroxythiophene-2,5-dicarboxylic acid bis-hexylamide (7). The crystal structure of 6 was obtained and suggests the presence of three distinct intramolecular hydrogen bonds, namely [Namide-H···O] [O-H···Oamide] and [Namide-H···S]. Boron chelation with 5, 6 and 7 through the use of BF3, B(OH)3 or B(OMe)3 was probed by 1H, 11B, and 13C NMR spectroscopy. Technetium (I) chelation with 5, 6 and 7 was also studied via HPLC elutions using [99mTc(CO)3(OH2)3]+

  5. Versatile micropipette technology based on deep reactive ion etching and anodic bonding for biological applications

    International Nuclear Information System (INIS)

    A novel, versatile and robust technology to manufacture transparent micropipettes, suitable for biological applications, is presented here. Up to three deep reactive ion etchings have been included in the manufacturing process, providing highly controlled geometry of reservoirs, connection cavities and inlet ports. Etching processes have been used for the definition of chip and reservoir and for nozzle release. Additionally, special design considerations have been developed to facilitate micro-to-macro fluidic connections. Implementation of anodic bonding to seal a glass substrate to the fluidic structure etched on Si, allowed observation of the flow inside the reservoir. Flow tests have been conducted by filling channels with different fluids. Flow was observed under an optical microscope, both during capillary filling and also during pumping. Dispensing has been demonstrated by functionalizing the surface of an AFM cantilever. Mechanical tests performed by piercing live mouse cells with FIB-sharpened micropipettes suggest the design is sturdy for biological piercing applications

  6. Self-bonded composite films based on cellulose nanofibers and chitin nanocrystals as antifungal materials.

    Science.gov (United States)

    Robles, Eduardo; Salaberria, Asier M; Herrera, Rene; Fernandes, Susana C M; Labidi, Jalel

    2016-06-25

    Cellulose nanofibers and chitin nanocrystals, two main components of agricultural and aquacultural by-products, were obtained from blue agave and yellow squat lobster industrial residues. Cellulose nanofibers were obtained using high pressure homogenization, while chitin nanocrystals were obtained by hydrolysis in acid medium. Cellulose nanofibers and chitin nanocrystals were characterized by X-ray diffraction, Atomic Force Microscopy and Infrared spectroscopy. Self-bonded composite films with different composition were fabricated by hot pressing and their properties were evaluated. Antifungal activity of chitin nanocrystals was studied using a Cellometer(®) cell count device, mechanical properties at tension were measured with a universal testing machine, water vapor permeability was evaluated with a thermohygrometer and surface tension with sessile drop contact angle method. The addition of chitin nanocrystals reduced slightly the mechanical properties of the composite. Presence of chitin nanocrystals influenced the growth of Aspergillus sp fungus in the surface of the composites as expected. PMID:27083791

  7. An unbiased stereological method for efficiently quantifying the innervation of the heart and other organs based on total length estimations

    DEFF Research Database (Denmark)

    Mühlfeld, Christian; Papadakis, Tamara; Krasteva, Gabriela;

    2010-01-01

    Quantitative information about the innervation is essential to analyze the structure-function relationships of organs. So far, there has been no unbiased stereological tool for this purpose. This study presents a new unbiased and efficient method to quantify the total length of axons in a given r...

  8. Topological properties of hydrogen bonds and covalent bonds from charge densities obtained by the maximum entropy method (MEM)

    International Nuclear Information System (INIS)

    The maximum-entropy charge densities of six amino acids and peptides reveal systematic dependencies of the properties at bond critical points on bond lengths. MEM densities demonstrate that low-order multipoles (lmax = 1) and isotropic atomic displacement parameters for H atoms in the multipole model are insufficient for capturing all the features of charge densities in hydrogen bonds. Charge densities have been determined by the Maximum Entropy Method (MEM) from the high-resolution, low-temperature (T ≃ 20 K) X-ray diffraction data of six different crystals of amino acids and peptides. A comparison of dynamic deformation densities of the MEM with static and dynamic deformation densities of multipole models shows that the MEM may lead to a better description of the electron density in hydrogen bonds in cases where the multipole model has been restricted to isotropic displacement parameters and low-order multipoles (lmax = 1) for the H atoms. Topological properties at bond critical points (BCPs) are found to depend systematically on the bond length, but with different functions for covalent C—C, C—N and C—O bonds, and for hydrogen bonds together with covalent C—H and N—H bonds. Similar dependencies are known for AIM properties derived from static multipole densities. The ratio of potential and kinetic energy densities |V(BCP)|/G(BCP) is successfully used for a classification of hydrogen bonds according to their distance d(H⋯O) between the H atom and the acceptor atom. The classification based on MEM densities coincides with the usual classification of hydrogen bonds as strong, intermediate and weak [Jeffrey (1997) ▶. An Introduction to Hydrogen Bonding. Oxford University Press]. MEM and procrystal densities lead to similar values of the densities at the BCPs of hydrogen bonds, but differences are shown to prevail, such that it is found that only the true charge density, represented by MEM densities, the multipole model or some other method can lead

  9. Interface structure and formation mechanism of diffusion-bonded joints of TiAl-based alloy to titanium alloy

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Vacuum diffusion bonding of a TiAl-based alloy (TAD) to a titanium alloy (TC2) was carried out at 1 273 K for 15~120 min under a pressure of 25 MPa. The kinds of the reaction products and the interface structures of the joints were investigated by SEM, EPMA and XRD. Based on this, a formation mechanism of the interface structure was elucidated. Experimental and analytical results show that two reaction layers have formed during the diffusion bonding of TAD to TC2. One is Al-rich α(Ti)layer adjacent to TC2,and the other is (Ti3Al+TiAl)layer adjacent to TAD,thus the interface structure of the TAD/TC2 joints is TAD/(Ti3Al+TiAl)/α(Ti)/TC2.This interface structure forms according to a three-stage mechanism,namely(a)the occurrence of a single-phase α(Ti)layer;(b)the occurrence of a duplex-phase(Ti3Al+TiAl)layer;and(c)the growth of the α(Ti)and (Ti3Al+TiAl)layers.

  10. Non-covalent bonded 2D-3D supramolecular architectures based on 4-dimethylaminopyridine and organic acids

    Science.gov (United States)

    Zhang, Huan; Jin, Shouwen; Wen, Xianhong; Liu, Bin; Fang, Yang; Zhang, Yani; Wang, Daqi

    2015-07-01

    Studies concentrating on non-covalent weak interactions between the organic base of 4-dimethylaminopyridine, and acidic derivatives have led to an increased understanding of the role 4-dimethylaminopyridine has in binding with the organic acid derivatives. Here anhydrous and hydrous multicomponent organic acid-base adducts of 4-dimethylaminopyridine have been prepared with organic acids such as 1,3-benzodioxole-5-carboxylic acid, p-aminobenzoic acid, 2,4-dihydroxybenzoic acid, 3,5-dihydroxybenzoic acid, 5-chlorosalicylic acid, 5-bromosalicylic acid, 5-nitrosalicylic acid, and 5-sulfosalicylic acid. The 4-dimethylaminopyridine is only monoprotonated. All compounds are organic salts with the 1:1 ratio of the cation and the anion. For the 5-sulfosalicylic acid only one H is ionized to exhibit the valence number of -1. The eight crystalline complexes were characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. These structures adopted the hetero supramolecular synthons. Analysis of the crystal packing of 1-8 suggests that there are Nsbnd H⋯O, Osbnd H⋯O, and Osbnd H⋯S hydrogen bonds (charge assisted or neutral) between the organic acid and the 4-dimethylaminopyridine moieties in the studied compounds. Except the classical hydrogen bonding interactions, the secondary propagating interactions also play important roles in structure extension. For the synergistic effect of the various non-covalent interactions, the complexes displayed 2D-3D framework structures.

  11. Comparative evaluation of tensile bond strength of denture base resins to surface pretreated cobalt chromium base metal alloys--an in vitro study.

    OpenAIRE

    Aazad A; Shetty P; Bhat S; Joseph M

    2001-01-01

    This study was undertaken to evaluate the tensile bond strength of acrylic resins to surface pretreated Cobalt-chromium base metal alloy. A total of 60 tensile bar specimens were prepared. One half of the bar was cast in cobalt-chromium alloy and the other half made of denture base resins attached to the alloy following surface pretreatment. Two denture base resins and five surface pre-treatments were used which included sandblasting, acid etching, use of metal adhesive primers and the combin...

  12. NEW SPECTROPHOTOMETRIC METHODS DEVELOPMENT FOR THE DETERMINATION OF OSELTAMIVIR PHOSPHATE IN CAPSULES BASED ON THE OXIDATION REACTIONS OF THE OLEFENIC DOUBLE BOND

    OpenAIRE

    B. KALYANA RAMU, M. SYAM BAB U. VIPLAVA PRASAD

    2013-01-01

    Simple, sensitive and selective spectrophotometric methods (M1 and M2) for the assay of oseltamivir phosphate (OP) through the olefenic double bond are proposed. Method M1 is based on the reaction of potassium permanganate to the olefenic double bond in OP and estimating the unreacted permanganate with fast green FCF (FGFCF). Method M2 involves the treatment of the olefenic double bond in OP with a Lemieux reagent (mixture of KMnO4 and NaIO4) and estimating the aldehyde formed with 3-methyl-2...

  13. Particle filter based hybrid prognostics for health monitoring of uncertain systems in bond graph framework

    Science.gov (United States)

    Jha, Mayank Shekhar; Dauphin-Tanguy, G.; Ould-Bouamama, B.

    2016-06-01

    The paper's main objective is to address the problem of health monitoring of system parameters in Bond Graph (BG) modeling framework, by exploiting its structural and causal properties. The system in feedback control loop is considered uncertain globally. Parametric uncertainty is modeled in interval form. The system parameter is undergoing degradation (prognostic candidate) and its degradation model is assumed to be known a priori. The detection of degradation commencement is done in a passive manner which involves interval valued robust adaptive thresholds over the nominal part of the uncertain BG-derived interval valued analytical redundancy relations (I-ARRs). The latter forms an efficient diagnostic module. The prognostics problem is cast as joint state-parameter estimation problem, a hybrid prognostic approach, wherein the fault model is constructed by considering the statistical degradation model of the system parameter (prognostic candidate). The observation equation is constructed from nominal part of the I-ARR. Using particle filter (PF) algorithms; the estimation of state of health (state of prognostic candidate) and associated hidden time-varying degradation progression parameters is achieved in probabilistic terms. A simplified variance adaptation scheme is proposed. Associated uncertainties which arise out of noisy measurements, parametric degradation process, environmental conditions etc. are effectively managed by PF. This allows the production of effective predictions of the remaining useful life of the prognostic candidate with suitable confidence bounds. The effectiveness of the novel methodology is demonstrated through simulations and experiments on a mechatronic system.

  14. Evidence-based concepts and procedures for bonded inlays and onlays. Part II. Guidelines for cavity preparation and restoration fabrication.

    Science.gov (United States)

    Rocca, Giovanni Tommaso; Rizcalla, Nicolas; Krejci, Ivo; Dietschi, Didier

    2015-01-01

    The second part of this article series presents an evidence-based update of clinical protocols and procedures for cavity preparation and restoration selection for bonded inlays and onlays. More than ever, tissue conservation dictates preparation concepts, even though some minimal dimensions still have to be considered for all restorative materials. In cases of severe bruxism or tooth fragilization, CAD/CAM composite resins or pressed CAD/CAM lithium disilicate glass ceramics are often recommended, although this choice relies mainly on scarce in vitro research as there is still a lack of medium- to long-term clinical evidence. The decision about whether or not to cover a cusp can only be made after a multifactorial analysis, which includes cavity dimensions and the resulting tooth biomechanical status, as well as occlusal and esthetic factors. The clinical impact of the modern treatment concepts that were outlined in the previous article - Dual Bonding (DB)/Immediate Dentin Sealing (IDS), Cavity Design Optimization (CDO), and Cervical Margins Relocation (CMR) - are described in detail in this article and discussed in light of existing clinical and scientific evidence for simpler, more predictable, and more durable results. Despite the wide choice of restorative materials (composite resin or ceramic) and techniques (classical or CAD/CAM), the cavity for an indirect restoration should meet five objective criteria before the impression. PMID:26171443

  15. A nanosensor for in vivo selenol imaging based on the formation of AuSe bonds.

    Science.gov (United States)

    Hu, Bo; Cheng, Ranran; Liu, Xiaojun; Pan, Xiaohong; Kong, Fanpeng; Gao, Wen; Xu, Kehua; Tang, Bo

    2016-06-01

    Selenol is a key metabolite of Na2SeO3 and plays an important role in many physiological and pathological processes. The real-time monitoring of selenol is of scientific interest for understanding the anti-cancer mechanism of Na2SeO3. Based on selenol's ability to specifically break AuS bonds and form more stable AuSe bonds on the surfaces of gold nanoparticles (AuNPs), we developed a novel near-infrared fluorescent nanosensor (Cy5.5-peptide-AuNPs) for detecting selenol. The nanosensor exhibited rapid response to selenol with high selectivity and sensitivity, and it was successfully used to image changes in the selenol level in HepG2 cells during Na2SeO3-induced apoptosis. Moreover, in vivo fluorescence imaging of selenol was obtained from H22 tumor-bearing mice injected with both the nanosensor and sodium selenite. The results showed that the tumor cell apoptosis induced by Na2SeO3 is correlated with high-level of selenol under hypoxic conditions. We believe that this nanosensor could serve as a powerful tool for monitoring selenol and exploring the physiological function of selenol in a variety of physiological and pathological contexts and that the probe-designed strategy will provide a new platform for research on relevant selenium chemistry. PMID:27043769

  16. Two-valued breakup length of a water jet issuing from a finite-length nozzle under normal gravity.

    Science.gov (United States)

    Umemura, Akira; Kawanabe, Sho; Suzuki, Sousuke; Osaka, Jun

    2011-09-01

    Laboratory experiments are conducted in which water is issued vertically downward from a finite-length nozzle at a constant speed using a piston. The results of these experiments indicate that the breakup length of the liquid jet is two-valued at Weber numbers greater than unity but less than a certain value, which depends on the nozzle length-to-radius ratio and the Bond number. In addition to a long breakup length, which is consistent with the conventional observation, another shorter breakup length is realized at the same jet issue speed. Each experimental run for a specific jet issue speed begins from the start of liquid issue so that each run is independent of the other runs. Transition between the two breakup lengths seldom occurs in each run. Which of the two breakup lengths occurs is determined at the start of liquid issue, when the capillary wave produced by the liquid jet tip contraction easily reaches the nozzle exit. Unlike the conventional belief, which is based on the Plateau-Rayleigh instability theory, this experimental evidence demonstrates that liquid jet disintegration occurs in a deterministic manner. The previously proposed self-destabilizing mechanism of a liquid jet in microgravity, in which the origin of the unstable wave responsible for the breakups is attributed to the formation of an upstream propagating capillary wave at every breakup, is extended to explore the physics underlying the observed liquid jet disintegration behaviors. PMID:22060494

  17. A consistent molecular hydrogen isotope chemistry scheme based on an independent bond approximation

    Directory of Open Access Journals (Sweden)

    M. C. Krol

    2009-11-01

    Full Text Available The isotopic composition of molecular hydrogen (H2 produced by photochemical oxidation of methane (CH4 and Volatile Organic Compounds (VOCs is a key quantity in the global isotope budget of (H2. The many individual reaction steps involved complicate its investigation. Here we present a simplified structure-activity approach to assign isotope effects to the individual elementary reaction steps in the oxidation sequence of CH4 and some other VOCs. The approach builds on and extends the work by Gerst and Quay (2001 and Feilberg et al. (2007b. The description is generalized and allows the application, in principle, also to other compounds. The idea is that the C-H and C-D bonds – seen as reactive sites – have similar relative reaction probabilities in isotopically substituted, but otherwise identical molecules. The limitations of this approach are discussed for the reaction CH4+Cl. The same approach is applied to VOCs, which are important precursors of H2 that need to be included into models. Unfortunately, quantitative information on VOC isotope effects and source isotope signatures is very limited and the isotope scheme at this time is limited to a strongly parameterized statistical approach, which neglects kinetic isotope effects. Using these concepts we implement a full hydrogen isotope scheme in a chemical box model and carry out a sensitivity study to identify those reaction steps and conditions that are most critical for the isotope composition of the final H2 product. The reaction scheme is directly applicable in global chemistry models, which can thus include the isotope pathway of H2 produced from CH4 and VOCs in a consistent way.

  18. A consistent molecular hydrogen isotope chemistry scheme based on an independent bond approximation

    Directory of Open Access Journals (Sweden)

    G. Pieterse

    2009-03-01

    Full Text Available The isotopic composition of molecular hydrogen (H2 produced by photochemical oxidation of methane (CH4 and Volatile Organic Compounds (VOCs is a key quantity in the global isotope budget of (H2. The many individual reaction steps involved complicate its investigation. Here we present a simplified structure-activity approach to assign isotope effects to the individual elementary reaction steps in the oxidation sequence of CH4 and some other VOCs. The approach builds on and extends the work by Gerst and Quay (2001 and Feilberg et al. (2007b. The description is generalized and allows the application, in principle, also to other compounds. The idea is that the C-H and C-D bonds – seen as reactive sites – have similar relative reaction probabilities in isotopically substituted, but otherwise identical molecules. The limitations of this approach are discussed for the reaction CH4+Cl. The same approach is applied to VOCs, which are important precursors of H2 that need to be included into models. Unfortunately, quantitative information on VOC isotope effects and source isotope signatures is very limited and the isotope scheme at this time is limited to a strongly parameterized statistical approach, which neglects kinetic isotope effects. Using these concepts we implement a full hydrogen isotope scheme in a chemical box model and carry out a sensitivity study to identify those reaction steps and conditions that are most critical for the isotope composition of the final H2 product. The reaction scheme is directly applicable in global chemistry models, which can thus include the isotope pathway of H2 produced from CH4 and VOCs in a consistent way.

  19. Performance evaluation of titanium dioxide based dye-sensitized solar cells under the influence of anodization steps, nanotube length and ionic liquid-free redox electrolyte solvents

    Science.gov (United States)

    Cheong, Y. L.; Beh, K. P.; Yam, F. K.; Hassan, Z.

    2016-06-01

    In this work, highly ordered titanium dioxide (TiO2) nanotube (NT) arrays were synthesized on titanium foil using electrochemical anodization method. The morphological aspects of the nanotubes based on different anodization duration and number of anodization steps (maximum two) have been investigated. The nanotube arrays subsequently used as photoanode in a dye-sensitized solar cell (DSSC) assembly. The studies on the effects of different solvents for triiodide/iodide redox electrolyte and NT length towards the performance of DSSC were conducted. It is known that electrolyte solvent can significantly affect the photovoltaic conversion efficiency. It is noteworthy that longer NT length tends to yield higher efficiency due to better dye adsorption. However, when the NTs exceeded certain length the efficiency decreases instead. Meanwhile, a comparison of DSSC performance based on number of anodization steps on titanium was performed. Highly ordered NT arrays could be obtained using two-steps anodization, which proved to have positive effects on the DSSC performance. The highest photovoltaic conversion efficiency in this work is 2.04%, achieved by two-step anodization. The corresponding average nanotubes length was ∼18 μm, with acetonitrile (ACN) as the redox electrolyte solvent.

  20. A Component-Based Study of the Effect of Diameter on Bond and Anchorage Characteristics of Blind-Bolted Connections.

    Directory of Open Access Journals (Sweden)

    Muhammad Nasir Amin

    Full Text Available Structural hollow sections are gaining worldwide importance due to their structural and architectural advantages over open steel sections. The only obstacle to their use is their connection with other structural members. To overcome the obstacle of tightening the bolt from one side has given birth to the concept of blind bolts. Blind bolts, being the practical solution to the connection hindrance for the use of hollow and concrete filled hollow sections play a vital role. Flowdrill, the Huck High Strength Blind Bolt and the Lindapter Hollobolt are the well-known commercially available blind bolts. Although the development of blind bolts has largely resolved this issue, the use of structural hollow sections remains limited to shear resistance. Therefore, a new modified version of the blind bolt, known as the "Extended Hollo-Bolt" (EHB due to its enhanced capacity for bonding with concrete, can overcome the issue of low moment resistance capacity associated with blind-bolted connections. The load transfer mechanism of this recently developed blind bolt remains unclear, however. This study uses a parametric approach to characterising the EHB, using diameter as the variable parameter. Stiffness and load-carrying capacity were evaluated at two different bolt sizes. To investigate the load transfer mechanism, a component-based study of the bond and anchorage characteristics was performed by breaking down the EHB into its components. The results of the study provide insight into the load transfer mechanism of the blind bolt in question. The proposed component-based model was validated by a spring model, through which the stiffness of the EHB was compared to that of its components combined. The combined stiffness of the components was found to be roughly equivalent to that of the EHB as a whole, validating the use of this component-based approach.

  1. A High-Precision Calculation of Bond Length and Spectroscopic Constants of Hg2 Based on the Coupled-Cluster Theory with Spin—Orbit Coupling

    Science.gov (United States)

    Tu, Zhe-Yan; Wang, Wen-Liang

    2015-06-01

    Not Available Supported by the Start-Up Funds of Xi'an Polytechnic University under Grant No BS1211, and the Scientific Research Program Funded by Shaanxi Provincial Education Department under Grant No 2013JK0679.

  2. Bond Boom

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The Ministry of Finance recently kick-started a pilot program allowing local governments of Shanghai and Shenzhen,and Zhejiang and Guangdong provinces to issue bonds for the first time.How will the new policy affect fiscal capacities of local governments and the broader economy? What else should the country do to build a healthy bond market? Economists and experts discussed these issues in an interview with the Shanghai Securities Journal.Edited excerpts follow.

  3. Bond Boom

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The Ministry of Finance recently kick-started a pilot program allowing local governments of Shanghai and Shenzhen, and Zhejiang and Guangdong provinces to issue bonds for the first time. How will the new policy affect fiscal capacities of local governments and the broader economy? What else should the country do to build a healthy bond market? Economists and experts discussed these issues in an interview with the ShanghaiSecuritiesJournal. Edited excerpts follow:

  4. 1 mil gold bond wire study.

    Energy Technology Data Exchange (ETDEWEB)

    Huff, Johnathon; McLean, Michael B.; Jenkins, Mark W.; Rutherford, Brian Milne

    2013-05-01

    In microcircuit fabrication, the diameter and length of a bond wire have been shown to both affect the current versus fusing time ratio of a bond wire as well as the gap length of the fused wire. This study investigated the impact of current level on the time-to-open and gap length of 1 mil by 60 mil gold bond wires. During the experiments, constant current was provided for a control set of bond wires for 250ms, 410ms and until the wire fused; non-destructively pull-tested wires for 250ms; and notched wires. The key findings were that as the current increases, the gap length increases and 73% of the bond wires will fuse at 1.8A, and 100% of the wires fuse at 1.9A within 60ms. Due to the limited scope of experiments and limited data analyzed, further investigation is encouraged to confirm these observations.

  5. Raman spectroscopy of supported chromium oxide catalysts : determination of chromium-oxygen bond distances and bond orders

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Wachs, I.E.

    1996-01-01

    An empirical correlation is described for relating Raman stretching frequencies of chromium—oxygen (Cr—O) bonds to their bond lengths in chromium oxide reference compounds. An exponential fit of crystallographically determined Cr—O bond lengths to Cr—O Raman symmetric stretching frequencies (800–130

  6. Study on cellular internalization of poly(vinyldiaminotriazine)-based hydrosen bonding type non-viral trans-gene vector

    Institute of Scientific and Technical Information of China (English)

    YE GuiXiang; CAO ZhiQiang; LIN Lin; CHEN DaYong; LIU WenGuang

    2008-01-01

    Previously we successfully prepared poly(vinyldiaminotriazine)(PVDT)-based non-viral vectors which complexed plasmid DNA via hydrogen bonding with adenine-thymine base pairs. In this report, surface charges and complex sizes of this system were further examined. The results showed that PVDT-based polymer could cover surface charges of DNA resulting in slightly negative or neutral complexes. It was also found that the complex sizes were governed by two events: the aggregation induced by the instability of neutral particles, and more compact complexes produced by PVDT-based polymers. In the study of cellular uptake, chlorpromazine and filipin III were used to inhibit clathrin- and caveolae-mediated endocytosis, respectively. We found that PVDT-based systems were transported into cells via a non-clathrin, non-caveolae mediated endocytosis. This special process was studied by temperature inhibition and kinetics assays. It was revealed that such a pathway was characterized by (i) a more energy dependent process and (ii) a much slow transfection-effective internalization.

  7. The Comparative Studies of Binding Activity of Curcumin and Didemethylated Curcumin with Selenite: Hydrogen Bonding vs Acid-Base Interactions

    Science.gov (United States)

    Liao, Jiahn-Haur; Wu, Tzu-Hua; Chen, Ming-Yi; Chen, Wei-Ting; Lu, Shou-Yun; Wang, Yi-Hsuan; Wang, Shao-Pin; Hsu, Yen-Min; Huang, Yi-Shiang; Huang, Zih-You; Lin, Yu-Ching; Chang, Ching-Ming; Huang, Fu-Yung; Wu, Shih-Hsiung

    2015-12-01

    In this report, the in vitro relative capabilities of curcumin (CCM) and didemethylated curcumin (DCCM) in preventing the selenite-induced crystallin aggregation were investigated by turbidity tests and isothermal titration calorimetry (ITC). DCCM showed better activity than CCM. The conformers of CCM/SeO32- and DCCM/SeO32- complexes were optimized by molecular orbital calculations. Results reveal that the selenite anion surrounded by CCM through the H-bonding between CCM and selenite, which is also observed via IR and NMR studied. For DCCM, the primary driving force is the formation of an acid-base adduct with selenite showing that the phenolic OH group of DCCM was responsible for forming major conformer of DCCM. The formation mechanisms of selenite complexes with CCM or DCCM explain why DCCM has greater activity than CCM in extenuating the toxicity of selenite as to prevent selenite-induced lens protein aggregation.

  8. The Comparative Studies of Binding Activity of Curcumin and Didemethylated Curcumin with Selenite: Hydrogen Bonding vs Acid-Base Interactions

    Science.gov (United States)

    Liao, Jiahn-Haur; Wu, Tzu-Hua; Chen, Ming-Yi; Chen, Wei-Ting; Lu, Shou-Yun; Wang, Yi-Hsuan; Wang, Shao-Pin; Hsu, Yen-Min; Huang, Yi-Shiang; Huang, Zih-You; Lin, Yu-Ching; Chang, Ching-Ming; Huang, Fu-Yung; Wu, Shih-Hsiung

    2015-01-01

    In this report, the in vitro relative capabilities of curcumin (CCM) and didemethylated curcumin (DCCM) in preventing the selenite-induced crystallin aggregation were investigated by turbidity tests and isothermal titration calorimetry (ITC). DCCM showed better activity than CCM. The conformers of CCM/SeO32− and DCCM/SeO32− complexes were optimized by molecular orbital calculations. Results reveal that the selenite anion surrounded by CCM through the H-bonding between CCM and selenite, which is also observed via IR and NMR studied. For DCCM, the primary driving force is the formation of an acid-base adduct with selenite showing that the phenolic OH group of DCCM was responsible for forming major conformer of DCCM. The formation mechanisms of selenite complexes with CCM or DCCM explain why DCCM has greater activity than CCM in extenuating the toxicity of selenite as to prevent selenite-induced lens protein aggregation. PMID:26635113

  9. The first chiral diene-based metal-organic frameworks for highly enantioselective carbon-carbon bond formation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin [UC

    2016-02-01

    We have designed the first chiral diene-based metal–organic framework (MOF), E₂-MOF, and postsynthetically metalated E₂-MOF with Rh(I) complexes to afford highly active and enantioselective single-site solid catalysts for C–C bond formation reactions. Treatment of E₂-MOF with [RhCl(C₂H₄)₂]₂ led to a highly enantioselective catalyst for 1,4-additions of arylboronic acids to α,β-unsaturated ketones, whereas treatment of E₂-MOF with Rh(acac)(C₂H₄)₂ afforded a highly efficient catalyst for the asymmetric 1,2-additions of arylboronic acids to aldimines. Interestingly, E₂-MOF·Rh(acac) showed higher activity and enantioselectivity than the homogeneous control catalyst, likely due to the formation of a true single-site catalyst in the MOF. E₂-MOF·Rh(acac) was also successfully recycled and reused at least seven times without loss of yield and enantioselectivity.

  10. 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...... non-linear fracture mechanics. The results indicated a good correlation between theory and tests. Furthermore, the model is suggested as theoretical base for determining load capacity of bonded anchorages with transverse pressure, in externally reinforced concrete structures....

  11. The Halogen Bond

    Science.gov (United States)

    2016-01-01

    The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design. PMID:26812185

  12. Peel bond strength of resilient liner modified by the addition of antimicrobial agents to denture base acrylic resin

    Directory of Open Access Journals (Sweden)

    Cristiane S. Alcântara

    2012-12-01

    Full Text Available In order to prolong the clinical longevity of resilient denture relining materials and reduce plaque accumulation, incorporation of antimicrobial agents into these materials has been proposed. However, this addition may affect their properties. OBJECTIVE: This study evaluated the effect of the addition of antimicrobial agents into one soft liner (Soft Confort, Dencril on its peel bond strength to one denture base (QC 20, Dentsply. MATERIAL AND METHODS: Acrylic specimens (n=9 were made (75x10x3 mm and stored in distilled water at 37ºC for 48 h. The drug powder concentrations (nystatin 500,000U - G2; nystatin 1,000,000U - G3; miconazole 125 mg - G4; miconazole 250 mg - G5; ketoconazole 100 mg - G6; ketoconazole 200 mg - G7; chlorhexidine diacetate 5% - G8; and 10% chlorhexidine diacetate - G9 were blended with the soft liner powder before the addition of the soft liner liquid. A group (G1 without any drug incorporation was used as control. Specimens (n=9 (75x10x6 mm were plasticized according to the manufacturers' instructions and stored in distilled water at 37ºC for 24 h. Relined specimens were then submitted to a 180-degree peel test at a crosshead speed of 10 mm/min. Data (MPa were analyzed by analysis of variance (α=0.05 and the failure modes were visually classified. RESULTS: No significant difference was found among experimental groups (p=0.148. Cohesive failure located within the resilient material was predominantly observed in all tested groups. CONCLUSIONS: Peel bond strength between the denture base and the modified soft liner was not affected by the addition of antimicrobial agents.

  13. Assessment of Possible Cycle Lengths for Fully-Ceramic Micro-Encapsulated Fuel-Based Light Water Reactor Concepts

    Energy Technology Data Exchange (ETDEWEB)

    R. Sonat Sen; Michael A. Pope; Abderrafi M. Ougouag; Kemal O. Pasamehmetoglu

    2012-04-01

    The tri-isotropic (TRISO) fuel developed for High Temperature reactors is known for its extraordinary fission product retention capabilities [1]. Recently, the possibility of extending the use of TRISO particle fuel to Light Water Reactor (LWR) technology, and perhaps other reactor concepts, has received significant attention [2]. The Deep Burn project [3] currently focuses on once-through burning of transuranic fissile and fissionable isotopes (TRU) in LWRs. The fuel form for this purpose is called Fully-Ceramic Micro-encapsulated (FCM) fuel, a concept that borrows the TRISO fuel particle design from high temperature reactor technology, but uses SiC as a matrix material rather than graphite. In addition, FCM fuel may also use a cladding made of a variety of possible material, again including SiC as an admissible choice. The FCM fuel used in the Deep Burn (DB) project showed promising results in terms of fission product retention at high burnup values and during high-temperature transients. In the case of DB applications, the fuel loading within a TRISO particle is constituted entirely of fissile or fissionable isotopes. Consequently, the fuel was shown to be capable of achieving reasonable burnup levels and cycle lengths, especially in the case of mixed cores (with coexisting DB and regular LWR UO2 fuels). In contrast, as shown below, the use of UO2-only FCM fuel in a LWR results in considerably shorter cycle length when compared to current-generation ordinary LWR designs. Indeed, the constraint of limited space availability for heavy metal loading within the TRISO particles of FCM fuel and the constraint of low (i.e., below 20 w/0) 235U enrichment combine to result in shorter cycle lengths compared to ordinary LWRs if typical LWR power densities are also assumed and if typical TRISO particle dimensions and UO2 kernels are specified. The primary focus of this summary is on using TRISO particles with up to 20 w/0 enriched uranium kernels loaded in Pressurized Water

  14. Study of effect of gate-length downscaling on the analog/RF performance and linearity investigation of InAs-based nanowire Tunnel FET

    Science.gov (United States)

    Biswal, Sudhansu Mohan; Baral, Biswajit; De, Debashis; Sarkar, Angsuman

    2016-03-01

    In this paper, we present a simulation study to report the effect of gate-length downscaling on the analog/RF performance and linearity investigation of InAs-based nanowire (NW) Tunnel FET (TFET). The different RF/analog and linearity figure of merits such as gm, RO, gm*RO, fT, fmax, GBW and 1-dB compression point of a NW TFET are extracted and the influence of gate-length downscaling on these parameters is analyzed. The RF/analog performance parameters obtained from InAs TFET is compared with an InAs MOSFET of identical dimension. Results reveal that superior RF and Linearity performance was obtained with gate-length downscaling for both devices under consideration. However, advantages of achieving improved RF performance with gate-length downscaling diminishes in terms of poor analog performance with gate-length downscaling for both the devices. This clearly indicates a trade-off between the analog and RF performance of a down-scaled InAs-based NW TFET and MOSFET. The results reveal that InAs TFET provides better fT, fmax and linearity performance in the saturation region than its MOSFET counterpart. It provides a reasonable RO, gm*RO at lower values of gate-overdrive voltage as compared to the InAs MOSFET. Therefore, this paper concludes that InAs NW TFETs have enormous potential to be a promising contender to the conventional bulk MOSFETs for realization of future generation low-power analog/RF applications.

  15. Estimation of genome length

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The genome length is a fundamental feature of a species. This note outlined the general concept and estimation method of the physical and genetic length. Some formulae for estimating the genetic length were derived in detail. As examples, the genome genetic length of Pinus pinaster Ait. and the genetic length of chromosome Ⅵ of Oryza sativa L. were estimated from partial linkage data.

  16. Designing greener plasticizers: Effects of alkyl chain length and branching on the biodegradation of maleate based plasticizers.

    Science.gov (United States)

    Erythropel, Hanno C; Brown, Tobin; Maric, Milan; Nicell, Jim A; Cooper, David G; Leask, Richard L

    2015-09-01

    The ubiquitous presence of the plasticizer di (2-ethylhexyl) phthalate (DEHP) in the environment is of concern due to negative biological effects associated with it and its metabolites. In particular, the metabolite mono (2-ethylhexyl) phthalate (MEHP) is a potential endocrine disruptor. Earlier work had identified the diester di (2-ethylhexyl) maleate (DEHM) as a potential greener candidate plasticizer to replace DEHP, yet its biodegradation rate was reported to be slow. In this study, we modified the side chains of maleate diesters to be linear (i.e., unbranched) alkyl chains that varied in length from ethyl to n-octyl. The plasticization efficiency of these compounds blended into PVC at 29 wt.% increased with the overall length of the molecule, but all compounds performed as well as or better than comparable samples with DEHP. Tests conducted with the equally long DEHM and dihexyl maleate (DHM) showed that branching has no effect on glass transition temperature (Tg) reduction efficiency. Biodegradation experiments with the common soil bacterium Rhodococcus rhodocrous in the presence of the plasticizer showed acceptable hydrolysis rates of maleates with unbranched side chains, while the branched DEHM showed almost no degradation. The addition of hexadecane as auxiliary carbon source improved hydrolysis rates. Temporary buildup of the respective monoester of the compounds were observed, but only in the case of the longest molecule, dioctyl maleate (DOM), did this buildup lead to growth inhibition of the bacteria. Maleates with linear side chains, if designed and tested properly, show promise as potential candidate plasticizers as replacements for DEHP. PMID:25917507

  17. Improved strategy for phylogenetic analysis of classical swine fever virus based on full-length E2 encoding sequences

    Directory of Open Access Journals (Sweden)

    Postel Alexander

    2012-06-01

    Full Text Available Abstract Molecular epidemiology has proven to be an essential tool in the control of classical swine fever (CSF and its use has significantly increased during the past two decades. Phylogenetic analysis is a prerequisite for virus tracing and thus allows implementing more effective control measures. So far, fragments of the 5´NTR (150 nucleotides, nt and the E2 gene (190 nt have frequently been used for phylogenetic analyses. The short sequence lengths represent a limiting factor for differentiation of closely related isolates and also for confidence levels of proposed CSFV groups and subgroups. In this study, we used a set of 33 CSFV isolates in order to determine the nucleotide sequences of a 3508–3510 nt region within the 5´ terminal third of the viral genome. Including 22 additional sequences from GenBank database different regions of the genome, comprising the formerly used short 5´NTR and E2 fragments as well as the genomic regions encoding the individual viral proteins Npro, C, Erns, E1, and E2, were compared with respect to variability and suitability for phylogenetic analysis. Full-length E2 encoding sequences (1119 nt proved to be most suitable for reliable and statistically significant phylogeny and analyses revealed results as good as obtained with the much longer entire 5´NTR-E2 sequences. This strategy is therefore recommended by the EU and OIE Reference Laboratory for CSF as it provides a solid and improved basis for CSFV molecular epidemiology. Finally, the power of this method is illustrated by the phylogenetic analysis of closely related CSFV isolates from a recent outbreak in Lithuania.

  18. Phenomenological model for yield stress based on the distribution of chain lengths in a dilute magnetorheological fluid under an oscillatory magnetic field

    OpenAIRE

    Donado, F.; Miranda-Romagnoli, P.; R. Agustín-Serrano

    2013-01-01

    We study the distribution of chain lengths in a magnetorheological fluid based on mineral magnetite particles dispersed in a dexrontype oil exposed simultaneously to a static magnetic field and a sinusoidal field of low amplitude, the fields are transverse to each other. We experimentally determined the general behavior of the distributions under several conditions of intensities of the fields, particle concentration, liquid viscosity, and frequency of the sinusoidal field. We found that in a...

  19. Improve regression-based models for prediction of internal-bond strength of particleboard using Buckingham's pi-theorem

    Institute of Scientific and Technical Information of China (English)

    Akbar Rostampour Haftkhani; Mohammad Arabi

    2013-01-01

    Internal bond (IB) strength is one of the most important me-chanical properties that indicate particleboard quality. The aim of this study was to find a simple regression model that considers the most important parameters that can influence on IB strength. In this study, IB strength was predicted by three kinds of equations (linear, quadratic, and exponential) that were based on the percentage of adhesive (8%, 9.5%, and 11%), particle size (+5, -5 +8, -8 12, and -12 mesh), and density (0.65, 0.7, and 0.75 g/cm3). Our analysis of the results (using SHAZAM 9 software) showed that the exponential function best fitted the experi-mental data and predicted the IB strength with 18% error. In order de-crease the error percentage, the Buckingham Pi theorem was used to build regression models for predicting IB strength based on particle size, density, percentage of adhesive, face-screw withdrawal resistance (SWRf), and edge-screw withdrawal resistance (SWRe). From there, three dimensionless groups were created by Buckingham’s Pi theorem and IB strength was predicted based on multiple regression models. The results showed these models can predict IB strength with 10.68% and 18.17%error, based on face-screw withdrawal resistance and edge-screw withdrawal resistance, respectively.

  20. Counting Fixed-Length Permutation Patterns

    OpenAIRE

    Cheyne Homberger

    2012-01-01

    We consider the problem of packing fixed-length patterns into a permutation, and develop a connection between the number of large patterns and the number of bonds in a permutation. Improving upon a result of Kaplansky and Wolfowitz, we obtain exact values for the expectation and variance for the number of large patterns in a random permutation. Finally, we are able to generalize the idea of bonds to obtain results on fixed-length patterns of any size, and present a construction that maximizes...

  1. A computational study of bond-breaking process of Cu-Si bond during ion sputtering of a Cu/Si(1 1 1) surface, based on molecular orbital theory

    International Nuclear Information System (INIS)

    A theoretical approach based on molecular orbital theory has been provided. By applying this theory to a bond-breaking process, the ionization probability of Cu adsobates sputtered from a ''5x5''-Cu/Si(1 1 1) surface has been studied. Three important aspects have been confirmed: (1) importance of a long range electrostatic potential such as the image potential, (2) importance of the coulomb repulsive potential between the Cu 4s spin-up and spin-down electron, and finally (3) acceleration and deceleration effects depending on charge state, which is a result of the interplay of the molecular bonding interaction and the long range electrostatic interaction. The measurements of ionization probability will provide us more information of the adiabatic potential curves of the reactants from the surfaces

  2. Distinguishing Bonds.

    Science.gov (United States)

    Rahm, Martin; Hoffmann, Roald

    2016-03-23

    The energy change per electron in a chemical or physical transformation, ΔE/n, may be expressed as Δχ̅ + Δ(VNN + ω)/n, where Δχ̅ is the average electron binding energy, a generalized electronegativity, ΔVNN is the change in nuclear repulsions, and Δω is the change in multielectron interactions in the process considered. The last term can be obtained by the difference from experimental or theoretical estimates of the first terms. Previously obtained consequences of this energy partitioning are extended here to a different analysis of bonding in a great variety of diatomics, including more or less polar ones. Arguments are presented for associating the average change in electron binding energy with covalence, and the change in multielectron interactions with electron transfer, either to, out, or within a molecule. A new descriptor Q, essentially the scaled difference between the Δχ̅ and Δ(VNN + ω)/n terms, when plotted versus the bond energy, separates nicely a wide variety of bonding types, covalent, covalent but more correlated, polar and increasingly ionic, metallogenic, electrostatic, charge-shift bonds, and dispersion interactions. Also, Q itself shows a set of interesting relations with the correlation energy of a bond. PMID:26910496

  3. Effectively Exerting the Reinforcement of Dopamine Reduced Graphene Oxide on Epoxy-Based Composites via Strengthened Interfacial Bonding.

    Science.gov (United States)

    Li, Wenbin; Shang, Tinghua; Yang, Wengang; Yang, Huichuan; Lin, Song; Jia, Xiaolong; Cai, Qing; Yang, Xiaoping

    2016-05-25

    The effects of dopamine reduced graphene oxide (pDop-rGO) on the curing activity and mechanical properties of epoxy-based composites were evaluated. Taking advantage of self-polymerization of mussel-inspired dopamine, pDop-rGO was prepared through simultaneous functionalization and reduction of graphene oxide (GO) via polydopamine coating. Benefiting from the universal binding ability of polydopamine, good dispersion of pDop-rGO in epoxy matrix was able to be achieved as the content of pDop-rGO being below 0.2 wt %. Curing kinetics of epoxy composites with pDop-rGO were systematically studied by nonisothermal differential scanning calorimetry (DSC). Compared to the systems of neat epoxy or epoxy composites containing GO, epoxy composites loaded with pDop-rGO showed lower activation energy (Eα) over the range of cure (α). It revealed that the amino-bearing pDop-rGO was able to react with epoxy matrix and enhance the curing reactions as an amine-type curing agent. The nature of the interactions at GO-epoxy interface was further evaluated by Raman spectroscopy, confirming the occurrence of chemical bonding. The strengthened interfacial adhesion between pDop-rGO and epoxy matrix thus enhanced the effective stress transfer in the composites. Accordingly, the tensile and flexural properties of EP/pDop-rGO composites were enhanced due to both the well dispersion and strong interfacial bonding of pDop-rGO in epoxy matrix. PMID:27159233

  4. Continuum in the X-Z---Y weak bonds: Z= main group elements.

    Science.gov (United States)

    Joy, Jyothish; Jose, Anex; Jemmis, Eluvathingal D

    2016-01-15

    The Continuum in the variation of the X-Z bond length change from blue-shifting to red-shifting through zero- shifting in the X-Z---Y complex is inevitable. This has been analyzed by ab-initio molecular orbital calculations using Z= Hydrogen, Halogens, Chalcogens, and Pnicogens as prototypical examples. Our analysis revealed that, the competition between negative hyperconjugation within the donor (X-Z) molecule and Charge Transfer (CT) from the acceptor (Y) molecule is the primary reason for the X-Z bond length change. Here, we report that, the proper tuning of X- and Y-group for a particular Z- can change the blue-shifting nature of X-Z bond to zero-shifting and further to red-shifting. This observation led to the proposal of a continuum in the variation of the X-Z bond length during the formation of X-Z---Y complex. The varying number of orbitals and electrons available around the Z-atom differentiates various classes of weak interactions and leads to interactions dramatically different from the H-Bond. Our explanations based on the model of anti-bonding orbitals can be transferred from one class of weak interactions to another. We further take the idea of continuum to the nature of chemical bonding in general. PMID:26279192

  5. A Prototype of Knowledge-Based System for Fault Diagnosis in Automatic Wire Bonding Machine

    OpenAIRE

    TAN, Chee-Fai

    2008-01-01

    In the modern world, computing is essential in all aspects of manufacturing activity. Computers have brought to life terms like artificial intelligence, and have played a critical role in reinvention of manufacturing industry. In continuing quest to decrease the interval time between conceptualization of a product, information technology has been fused with manufacturing practice. This paper describes the use of an expert system shell to develop a knowledge-based system (KBS) for an ...

  6. Design and evaluation of a short coherence length laser-based Doppler wind Lidar system for wind energy applications

    Science.gov (United States)

    Shinohara, Leilei; Asche-Tauscher, Julian; Fox, Maik; Beuth, Thorsten; Stork, Wilhelm

    2014-05-01

    Nowadays larger horizontal axis wind turbines (HAWT) are setup in difficult to access locations adding an overhead to the production cost as well as the Operation & Maintenance (O&M) costs. In order to cover those overhead cost, Lidar assisted preview control of wind turbine blade pitch system is prosperous both on research and industry applications. However, there are not a lot of choices to remote sense the wind field inflow. Doppler wind Lidar systems have been proved to be advantageous on such applications. However due to the economical consideration, the state-of-the-art wind Lidar systems are only limited on research. Therefore, developing a cost efficient wind Lidar to support the pitch control of HAWT to reduce the material requirement, lower the O&M cost and decrease the cost of energy (COE) in the long term is our motivation. Our current main focusing of investigations has been laid on the optical design of emitting and receiving system, and the evaluation of the low cost laser system instead of using a high cost fiber laser as a transmitter. The short coherence length lasers brings a higher phase noise into the detection, normally it is not used for the coherent Lidars system. However, such a laser can achieve a higher output power with a low cost which is very important for the market. In order to bring such kind of laser into the application, different sending, receiving, and detection design is simulated and tested. Those testing results are presented in this paper.

  7. Identification of Thiobacillus ferrooxidans strains based on restriction fragment length polymorphism analysis of 16S rDNA.

    Science.gov (United States)

    Kamimura, K; Wakai, S; Sugio, T

    2001-01-01

    The 16S rDNA sequences from ten strains of Thiobacillus ferrooxidans were amplified by PCR. The products were compared by performing restriction fragment length polymorphism (RFLP) analysis with restriction endonucleases Alu I, Hap II, Hha I, and Hae III. The RFLP patterns revealed that T. ferrooxidans could be distinguished from other iron- or sulphur-oxidizing bacteria such as T. thiooxidans NB1-3, T. caldus GO-1, Leptospirillum ferrooxidans and the marine iron-oxidizing bacterium strain KU2-11. The RFLP patterns obtained with Alu I, Hap II, and Hae III were the same for nine strains of T. ferrooxidans except for strain ATCC 13661. The RFLP patterns for strains NASF-1 and ATCC 13661 with Hha I were distinct from those for other T. ferrooxidans strains. The 16S rDNA sequence of T. ferrooxidans NASF-1 possessed an additional restriction site for Hha I. These results show that iron-oxidizing bacteria isolated from natural environments were rapidly identified as T. ferrooxidans by the method combining RFLP analysis with physiological analysis. PMID:11414499

  8. Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.

    Science.gov (United States)

    Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long

    2016-03-01

    A tricoordinated gold(I) chloride complex, tBuXantphosAuCl, supported by a sterically bulky 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene ligand (tBuXantphos) was synthesized. This complex features a remarkably longer Au-Cl bond length [2.632(1) Å] than bicoordinated linear gold complexes (2.27-2.30 Å) and tricoordinated XantphosAuCl [2.462(1) Å]. Single-crystal X-ray diffraction analysis of a cocrystal of tBuXantphosAuCl and pentafluoronitrobenzene (PFNB) and UV-vis spectroscopic titration experiments revealed the existence of an anion-π interaction between the Cl anion ligand and PFNB. Stoichiometric reaction between PFNB and tBuXantphosAuOtBu, after replacement of Cl by a more nucleophilic tBuO anion ligand, showed higher reactivity and para selectivity in the transformation of C-F to C-OtBu bond, distinctively different from that when only KOtBu was used (ortho selectivity) under the identical condition. Mechanistic studies including density functional theory calculations suggested a gold-mediated nucleophilic ligand attack of the C-F bond pathway via an SNAr process. On the basis of these results, using trimethylsilyl derivatives TMS-X (X = OMe, SEt, NEt2) as the nucleophilic ligand source and the fluorine acceptor, catalytic transformation of the C-F bond of aromatic substrates to the C-X (X = O, S, N) bond was achieved with tBuXantphosAuCl as the catalyst (up to 20 turnover numbers). PMID:26872251

  9. Ultrafast OH-stretching frequency shifts of hydrogen- bonded 2-naphthol photoacid-base complexes in solution

    Directory of Open Access Journals (Sweden)

    Batista VictorS.

    2013-03-01

    Full Text Available We characterize the transient solvent-dependent OH-stretching frequency shifts of photoacid 2-naphthol hydrogen-bonded with CH3CN in the S0- and S1-states using a combined experimental and theoretical approach, and disentangle specific hydrogen-bonding contributions from nonspecific dielectric response.

  10. Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Du, Lin; Reiman, Heidi;

    2014-01-01

    Gibbs free binding energies in molecular complexes and clusters based on gas phase FTIR spectroscopy. The acetonitrile-HCl molecular complex is identified via its redshifted H-Cl stretching vibrational mode. We determine the Gibbs free binding energy, ΔG°295 K, to between 4.8 and 7.9 kJ mol(-1) and......Models of formation and growth of atmospheric aerosols are highly dependent on accurate cluster binding energies. These are most often calculated by ab initio electronic structure methods but remain associated with significant uncertainties. We present a computational benchmarking study of the...

  11. Zirconia-based luminescent organic-inorganic hybrid materials with ternary europium (III) complexes bonded

    Science.gov (United States)

    Yang, Jing; Li, Zhiqiang; Xu, Yang; Wang, Yige

    2016-05-01

    In this work, a novel red-emitting organic-inorganic hybrid material with europium (III) lanthanide β-diketonate complexes linked to a zirconia was reported, which was realized by adduct formation with zirconia-tethered terpyridine moieties. Luminescence enhancement of the hybrid material has been observed compared with pure Eu(tta)3·2H2O. Transparent and strongly luminescent thin films based on PMMA were also prepared at room temperature, which are highly luminescent under UV-light irradiation and possess a promising prospect in the area of optics.

  12. A High-Density Genetic Linkage Map for Cucumber (Cucumis sativus L.): Based on Specific Length Amplified Fragment (SLAF) Sequencing and QTL Analysis of Fruit Traits in Cucumber

    Science.gov (United States)

    Zhu, Wen-Ying; Huang, Long; Chen, Long; Yang, Jian-Tao; Wu, Jia-Ni; Qu, Mei-Ling; Yao, Dan-Qing; Guo, Chun-Li; Lian, Hong-Li; He, Huan-Le; Pan, Jun-Song; Cai, Run

    2016-01-01

    High-density genetic linkage map plays an important role in genome assembly and quantitative trait loci (QTL) fine mapping. Since the coming of next-generation sequencing, makes the structure of high-density linkage maps much more convenient and practical, which simplifies SNP discovery and high-throughput genotyping. In this research, a high-density linkage map of cucumber was structured using specific length amplified fragment sequencing, using 153 F2 populations of S1000 × S1002. The high-density genetic map composed 3,057 SLAFs, including 4,475 SNP markers on seven chromosomes, and spanned 1061.19 cM. The average genetic distance is 0.35 cM. Based on this high-density genome map, QTL analysis was performed on two cucumber fruit traits, fruit length and fruit diameter. There are 15 QTLs for the two fruit traits were detected. PMID:27148281

  13. Non-tables look-up search algorithm for efficient H.264/AVC context-based adaptive variable length coding decoding

    Science.gov (United States)

    Han, Yishi; Luo, Zhixiao; Wang, Jianhua; Min, Zhixuan; Qin, Xinyu; Sun, Yunlong

    2014-09-01

    In general, context-based adaptive variable length coding (CAVLC) decoding in H.264/AVC standard requires frequent access to the unstructured variable length coding tables (VLCTs) and significant memory accesses are consumed. Heavy memory accesses will cause high power consumption and time delays, which are serious problems for applications in portable multimedia devices. We propose a method for high-efficiency CAVLC decoding by using a program instead of all the VLCTs. The decoded codeword from VLCTs can be obtained without any table look-up and memory access. The experimental results show that the proposed algorithm achieves 100% memory access saving and 40% decoding time saving without degrading video quality. Additionally, the proposed algorithm shows a better performance compared with conventional CAVLC decoding, such as table look-up by sequential search, table look-up by binary search, Moon's method, and Kim's method.

  14. PEGylation of Phytantriol-Based Lyotropic Liquid Crystalline Particles-The Effect of Lipid Composition, PEG Chain Length, and Temperature on the Internal Nanostructure

    DEFF Research Database (Denmark)

    Nilsson, Christa; Ostergaard, Jesper; Larsen, Susan Weng;

    2014-01-01

    Poly(ethylene glycol)-grafted 1,2-distearoyl-sn-glycero-3-phosphoethanolamines (DSPE-mPEGs) are a family of amphiphilic lipopolymers attractive in formulating injectable long-circulating nanoparticulate drug formulations. In addition to long circulating liposomes, there is an interest in developing...... injectable long-circulating drug nanocarriers based on cubosomes and hexosomes by shielding and coating the dispersed particles enveloping well-defined internal nonlamellar liquid crystalline nanostructures with hydrophilic PEG segments. The present study attempts to shed light on the possible PEGylation of...... these lipidic nonlamellar liquid crystalline particles by using DSPE-mPEGs with three different block lengths of the hydrophilic PEG segment. The effects of lipid composition, PEG chain length, and temperature on the morphology and internal nanostructure of these self-assembled lipidic aqueous...

  15. Influence of the cation alkyl chain length of imidazolium-based room temperature ionic liquids on the dispersibility of TiO2 nanopowders

    International Nuclear Information System (INIS)

    The influence of the length of the cation alkyl chain on the dispersibility by ultrasonic treatment of TiO2 nanopowders in hydrophilic imidazolium-based room temperature ionic liquids was studied for the first time by dynamic light scattering and advanced rheology. TiO2 nanopowders had been synthesized by chemical vapor synthesis (CVS) under varied conditions leading to two different materials. A commercial nanopowder had been used for comparison. Characterizations had been done using transmission electron microscopy, X-ray diffraction, nitrogen adsorption with BET analysis, and FT-IR spectroscopy. Primary particle sizes were about 6 and 8 nm for the CVS-based and 26 nm for the commercial materials. The particle size distribution in the dispersion was strongly influenced by the length of the cation alkyl chain for all the investigated powders with different structural characteristics and concentrations in the dispersion. It was found that an increase of the alkyl chain length was beneficial, leading to a narrowing of the particle size distribution and a decrease of the agglomerate size in dispersion. The smallest average nanoparticle sizes in dispersion were around 30 nm. Additionally, the surface functionality of the nanoparticles, the concentration of the solid material in the liquid, and the period of ultrasonic treatment control the dispersion quality, especially in the case of the ionic liquids with the shorter alkyl chain. The influence of the nanopowders characteristics on their dispersibility decreases considerably with increasing cation alkyl chain length. The results indicate that ionic liquids with adapted structure are candidates as absorber media for nanoparticles synthesized in gas phase processes to obtain liquid dispersions directly without redispergation.

  16. Evaluation of shear bond strength of metal bracket to enamel after application of primers over bracket base-an in vitro study

    Directory of Open Access Journals (Sweden)

    Firuzbakht MM

    2011-04-01

    Full Text Available "nBackground and Aims: The aim of this study was to evaluate the effect of application of two types of primers over bracket bases on the shear bond strength (SBS and mode of bond failure."nMaterials and Methods: In this study, 75 human premolar teeth were divided into three equal groups. In group 1 (control, after surface preparation of enamel by conventional method (acid etching+primer brackets were bonded with Transbond XT composite. In group 2 (TX, brackets were bonded to enamel same as the first group but Transbond XT primer were used on bracket bases before placement of composite. In group 3 (PL, Transbond plus primer was applied on bracket bases before placement of composite. After 24 h, the SBS test was performed by universal testing machine at crosshead speed of 0.5 mm/min. Then, adhesive remnant index (ARI scores and percentage of cohesive fracture were determined using stereomicroscopy. SBS data were analyzed by one-way ANOVA and Duncan tests. Kruskal-Wallis and Mann-Whitney tests were used to analyze ARI and cohesive fracture results."nResults: There was significant difference in SBS values among the groups (P<0.001. The highest SBS was shown in TX group and the lowest was seen in PL group. There was no significant difference between control and TX groups in ARI scores (P=0.199. No significant difference was found in cohesive fracture values between the groups (P=0.093. Both the control and TX groups showed significant difference in ARI scores and cohesive fracture compared with the PL group in all of the comparisons (P<0.001."nConclusion: Application of Transbond XT primer over bracket base affects the bond strength and failure mode. Transbond XT primer increased the bond strength but Transbond plus primer decreased it.

  17. Area-based initiatives – and their work in bonding, bridging and linking social capital

    DEFF Research Database (Denmark)

    Agger, Annika; Jensen, Jesper Ole

    2015-01-01

    In this article, we provide a conceptual and argumentative framework for studying how Area-based Initiatives (ABIs) can facilitate contact between networks in deprived neighbourhoods and external forms of power (linking social capital). These relations provide the residents and other members of...... civil society with crucial access to leveraging resources, ideas and information. Although few studies on linking social capital have been carried out in relation to urban regeneration, there is empirical evidence that suggests that it can play a positive role in establishing trust and relations between...... civil society and a municipality. We set out with a review of how social capital literature has been applied in an urban context, and then demonstrate empirical examples from Denmark of how, in different contexts (village, town and city), ABIs have facilitated processes that generated different forms of...

  18. Performance of a Nonempirical Density Functional on Molecules and Hydrogen-Bonded Complexes

    CERN Document Server

    Mo, Yuxiang; Car, Roberto; Staroverov, Viktor N; Scuseria, Gustavo E; Tao, Jianmin

    2016-01-01

    Recently, Tao and Mo (TM) derived a new meta-generalized gradient approximation based on a model exchange hole. In this work, the performance of this functional is assessed on standard test sets, using the 6-311++G(3df,3pd) basis set. These test sets include 223 G3/99 enthalpies of formation, 58 electron affinities, 8 proton affinities, 96 bond lengths, 82 harmonic vibrational frequencies, and 10 hydrogen-bonded molecular complexes. Our calculations show that the TM functional can achieve remarkable accuracy for most molecular properties, improving upon non-empirical density functionals considered here. In particular, it delivers the best accuracy for proton affinities, harmonic vibrational frequencies, and hydrogen-bonded dissociation energies and bond lengths, compared to other semilocal density-functional approximations considered in this work.

  19. Studies on Physico-Mechanical and Explosive Characteristics of RDX/HMX-Based Castable Plastic-Bonded Explosives

    Directory of Open Access Journals (Sweden)

    J. S. Gharia

    1998-01-01

    Full Text Available Conventional cast explosives (RDX/TNT have major drawbacks of poor mechanical properties,shrinkages and higher sensitivity .These properties can be improved by applying plastic bindersystems. The plastic-bonded explosive (PBX is a composite material in which solid explosive particles are dispersed in a polymer matrix. The present paper describes the development of anitramine/hydroxy-terminated polybutadiene (HTPB-based castable PBX. The PBXs were processed as per standard procedures. Bimodal/trimodal particle size system was selected to reach asolid loading of 88 wt per cent. High solid loading was made possible through proper combination ofcoarse/fine ratio of solid ingredients, which was based on a number of tap density experiments.Processability of the binder system was studied by using various wetting agents as well as by selectingbinder/plasticizer ratios. Mechanical properties of the PBXs were enhanced by different crosslinkingagents. The explosive properties ofPBXs including detonation velocity , processability and sensitivityto different types of stimuli, were studied. The results show that PBXs can be manufactured withdetonation properties better than those of composition B/octol with the added advantages of superiorthermal and sensitivity characteristics.

  20. Correlation between topological band character and chemical bonding in a Bi14Rh3I9-based family of insulators

    Science.gov (United States)

    Rasche, Bertold; Isaeva, Anna; Ruck, Michael; Koepernik, Klaus; Richter, Manuel; van den Brink, Jeroen

    2016-02-01

    Recently the presence of topologically protected edge-states in Bi14Rh3I9 was confirmed by scanning tunnelling microscopy consolidating this compound as a weak 3D topological insulator (TI). Here, we present a density-functional-theory-based study on a family of TIs derived from the Bi14Rh3I9 parent structure via substitution of Ru, Pd, Os, Ir and Pt for Rh. Comparative analysis of the band-structures throughout the entire series is done by means of a unified minimalistic tight-binding model that evinces strong similarity between the quantum-spin-Hall (QSH) layer in Bi14Rh3I9 and graphene in terms of -molecular orbitals. Topologically non-trivial energy gaps are found for the Ir-, Rh-, Pt- and Pd-based systems, whereas the Os- and Ru-systems remain trivial. Furthermore, the energy position of the metal -band centre is identified as the parameter which governs the evolution of the topological character of the band structure through the whole family of TIs. The -band position is shown to correlate with the chemical bonding within the QSH layers, thus revealing how the chemical nature of the constituents affects the topological band character.

  1. Density functional theory study of interaction, bonding and affinity of group IIb transition metal cations with nucleic acid bases

    Science.gov (United States)

    Bagchi, Sabyasachi; Mandal, Debasish; Ghosh, Deepanwita; Das, Abhijit K.

    2012-05-01

    The structure, bonding, and energetics of the complexes obtained from the interaction between the most stable tautomeric forms of free DNA and RNA bases and Zn2+, Cd2+ and Hg2+ cations have been studied using density functional B3LYP method. The 6-311+G (2df, 2p) basis set along with LANL2DZ pseudopotentials for the cations are used in the calculations. The tautomerization paths of the nucleobases are investigated and transition states between the tautomeric forms of the free bases are located. The relative stability of the complexes and the tautomers of the free nucleobases are discussed referring to MIA and relative energy values. For uracil, thymine and adenine, interaction of the metal cations with the most stable tautomers form the least stable molecular complexes. For cytosine and guanine, the stability of the metalated complexes differs significantly. The enthalpy (ΔH), entropy (TΔS) and free energy (ΔG) of the complexes at 298 K have also been calculated.

  2. Ultrasonic Relaxation Study of 1-Alkyl-3-methylimidazolium-Based Room-Temperature Ionic Liquids: Probing the Role of Alkyl Chain Length in the Cation.

    Science.gov (United States)

    Zorębski, Michał; Zorębski, Edward; Dzida, Marzena; Skowronek, Justyna; Jężak, Sylwia; Goodrich, Peter; Jacquemin, Johan

    2016-04-14

    Ultrasound absorption spectra of four 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides were determined as a function of the alkyl chain length on the cation from 1-propyl to 1-hexyl from 293.15 to 323.15 K at ambient pressure. Herein, the ultrasound absorption measurements were carried out using a standard pulse technique within a frequency range from 10 to 300 MHz. Additionally, the speed of sound, density, and viscosity have been measured. The presence of strong dissipative processes during the ultrasound wave propagation was found experimentally, i.e., relaxation processes in the megahertz range were observed for all compounds over the whole temperature range. The relaxation spectra (both relaxation amplitude and relaxation frequency) were shown to be dependent on the alkyl side chain length of the 1-alkyl-3-methylimidazolium ring. In most cases, a single-Debye model described the absorption spectra very well. However, a comparison of the determined spectra with the spectra of a few other imidazolium-based ionic liquids reported in the literature (in part recalculated in this work) shows that the complexity of the spectra increases rapidly with the elongation of the alkyl chain length on the cation. This complexity indicates that both the volume viscosity and the shear viscosity are involved in relaxation processes even in relatively low frequency ranges. As a consequence, the sound velocity dispersion is present at relatively low megahertz frequencies. PMID:26982480

  3. Low energy electron induced cytosine base release in 2′-deoxycytidine-3′-monophosphate via glycosidic bond cleavage: A time-dependent wavepacket study

    International Nuclear Information System (INIS)

    Low energy electron (LEE) induced cytosine base release in a selected pyrimidine nucleotide, viz., 2′-deoxycytidine-3′-monophosphate is investigated using ab initio electronic structure methods and time dependent quantum mechanical calculations. It has been noted that the cytosine base scission is comparatively difficult process than the 3′ C–O bond cleavage from the lowest π* shape resonance in energy region * orbital of the base to the σ* orbital of the glycosidic N–C bond. In addition, the metastable state formed after impinging LEE (0–1 eV) has very short lifetime (10 fs) which may decay in either of the two competing auto-detachment or dissociation process simultaneously. On the other hand, the selected N–C mode may cleave to form the cytosine base anion at higher energy regions (>2 eV) via tunneling of the glycosidic bond. Resonance states generated within this energy regime will exist for a duration of ∼35–55 fs. Comparison of salient features of the two dissociation events, i.e., 3′ C–O single strand break and glycosidic N–C bond cleavage in 3′-dCMPH molecule are also provided

  4. A method for estimating age of medieval sub-adults from infancy to adulthood based on long bone length

    DEFF Research Database (Denmark)

    Primeau, Charlotte; Friis, Laila Saidane; Sejrsen, Birgitte; Lynnerup, Niels

    2016-01-01

    a modern population (Maresh: Human growth and development () pp 155-200), and, lastly, based on archeological data with known ages (Rissech et al.: Forensic Sci Int 180 () 1-9). As growth of long bones is known to be non-linear it was tested if the regression model could be improved by applying a...

  5. Redshift or adduct stabilization -- a computational study of hydrogen bonding in adducts of protonated carboxylic acids

    DEFF Research Database (Denmark)

    Olesen, Solveig Gaarn; Hammerum, Steen

    2009-01-01

    always yield consistent predictions, as illustrated by the hydrogen bonds formed by the E and Z OH groups of protonated carboxylic acids. The delta-PA and the stabilization of a series of hydrogen bonded adducts indicate that the E OH group forms the stronger hydrogen bonds, whereas the bond length...... carboxylic acids are different. The OH bond length and IR redshift afford the better measure of hydrogen bond strength....

  6. Collective fabrication of all-organic microcantilever chips based on a hierarchical combination of shadow-masking and wafer-bonding processing methods

    International Nuclear Information System (INIS)

    This paper describes a new collective microfabrication process of all-organic microcantilever chips. This method is based on the hierarchical combination of shadow-masking and wafer-bonding processes. The shadow-masking combines deposition and patterning in one step thanks to spray-coating through a polymer microstencil that allows patterning of thermosensitive materials such as PMMA. The shadow-masking parameters have been optimized to obtain suspended microcantilevers characterized by a convenient thickness profile. The resulting PMMA structures were then transferred onto SU-8 chips by using an SU-8 wafer-bonding process. The effect of the UV exposure dose of both SU-8 layers in contact on the bonding quality has been investigated and optimized. With the optimized bonding process, we have achieved the large-scale transfer of microstructures with a yield of 100% and a bond strength of 50 MPa. These microcantilevers were also tested at resonance to determine Young's moduli of patterned polymers. The low values obtained (below 5 GPa) make these organic MEMS structures strong candidates for highly sensitive sensing applications when used in the static mode

  7. Copeptin Is Associated with Kidney Length, Renal Function, and Prevalence of Simple Cysts in a Population-Based Study

    OpenAIRE

    Ponte, Belen; Pruijm, Menno; Ackermann, Daniel; Vuistiner, Philippe; Guessous, Idris; Ehret, Georg; Alwan, Heba; Youhanna, Sonia; Paccaud, Fred; Mohaupt, Markus; Péchère-Bertschi, Antoinette; Vogt, Bruno; Burnier, Michel; Martin, Pierre-Yves; Devuyst, Olivier

    2014-01-01

    Arginine vasopressin (AVP) has a key role in osmoregulation by facilitating water transport in the collecting duct. Recent evidence suggests that AVP may have additional effects on renal function and favor cyst growth in polycystic kidney disease. Whether AVP also affects kidney structure in the general population is unknown. We analyzed the association of copeptin, an established surrogate for AVP, with parameters of renal function and morphology in a multicentric population-based cohort. Pa...

  8. Unusual cocrystals made of a Schiff base metal complex and an organic molecule - Close-packing vs. hydrogen bond interactions

    Science.gov (United States)

    Buvaylo, Elena A.; Kokozay, Vladimir N.; Rubini, Katia; Vassilyeva, Olga Yu.; Skelton, Brian W.

    2014-08-01

    The mononuclear complexes [ML2]0 (M = Co, Ni, Zn; HL - Schiff base ligand formed in situ from 2-pyridinecarbaldehyde and anthranilic acid, AA) can efficiently interact with unreacted AA molecules to produce CoL2·AA·H2O (1), NiL2·AA·H2O (2) and ZnL2·AA·0.25CH3OH·0.5H2O (3) cocrystals. Compounds 1-3 have been obtained as single crystals and characterized by elemental analysis, IR spectroscopy, thermal analysis, and single-crystal X-ray diffraction techniques. The compounds crystallize in the triclinic space group P1‾, with 1 and 2 being isomorphous. Neutral ML2 molecules in 1-3 show no crystallographically imposed symmetry with the metal atoms octahedrally surrounded by two anionic ligands in a mer configuration. Of the two crystallographically distinct AA molecules, one molecule only is engaged in H-bonding N/Osbnd H⋯O interactions with ML2 units. The solid-state organization of the cocrystals is described as an insertion of the organic molecules between the layers of ML2 complexes as they occur in the reported native NiL2·H2O structure.

  9. Antifouling and antimicrobial polymer membranes based on bioinspired polydopamine and strong hydrogen-bonded poly(N-vinyl pyrrolidone).

    Science.gov (United States)

    Jiang, Jinhong; Zhu, Liping; Zhu, Lijing; Zhang, Hongtao; Zhu, Baoku; Xu, Youyi

    2013-12-26

    A facile and versatile approach for the preparation of antifouling and antimicrobial polymer membranes has been developed on the basis of bioinspired polydopamine (PDA) in this work. It is well-known that a tightly adherent PDA layer can be generated over a wide range of material surfaces through a simple dip-coating process in dopamine aqueous solution. The resulting PDA coating is prone to be further surface-tailored and functionalized via secondary treatments because of its robust reactivity. Herein, a typical hydrophobic polypropylene (PP) porous membrane was first coated with a PDA layer and then further modified by poly(N-vinyl pyrrolidone) (PVP) via multiple hydrogen-bonding interactions between PVP and PDA. Data of water contact angle measurements showed that hydrophilicity and wettability of the membranes were significantly improved after introducing PDA and PVP layers. Both permeation fluxes and antifouling properties of the modified membranes were enhanced as evaluated in oil/water emulsion filtration, protein filtration, and adsorption tests. Furthermore, the modified membranes showed remarkable antimicrobial activity after iodine complexation with the PVP layer. The PVP layer immobilized on the membrane had satisfying long-term stability and durability because of the strong noncovalent forces between PVP and PDA coating. The strategy of material surface modification reported here is substrate-independent, and applicable to a broad range of materials and geometries, which allows effective development of materials with novel functional coatings based on the mussel-inspired surface chemistry. PMID:24313803

  10. Intramolecular hydrogen bonding and tautomerism in Schiff bases: Part VI. Syntheses and structural investigation of salicylaldimine and naphthaldimine derivatives

    Indian Academy of Sciences (India)

    Selen Bi̇lge; Zeynel Kiliç; Zeli̇ha Hayvali; Tuncer Hökelek; Serap Safran

    2009-11-01

    Salicyclaldimines (5-9) and naphthaldimines (10-13) derived from condensation reactions of N2O2 donor type bifunctional aminopodands (1-4), [(H2NPhO)2R, where R = CH2CH2, CH2CH2CH2 and CH2PhCH2], and hydrazine monohydrate with salicylaldehyde and 2-hydroxy-1-naphthaldehyde, respectively, have been prepared (scheme 1) and characterized by elemental analyses, UV-vis, FTIR, NMR and MS. NMR assignments were made using 1H, 13C NMR, DEPT and aided by 2D HETCOR and HMBC heteronuclear correlation techniques. The UV-vis spectra of the Schiff bases have been systematically studied in organic solvents of different polarity, acidic and basic media and found useful in understanding of tautomeric equilibria (phenol-imine, O-H…N and keto-amine, O…H-N forms) in this series. The molecular structure of 8 has been determined crystallographically, and observed that the compound is in the form of phenol-imine, defined by the strong intramolecular [O-H…N = 1.72(3), 1.81(2) Å] hydrogen bonds. Compound 8 crystallizes in the monoclinic space group 21/ with = 8.4675(7), = 38.448(3), = 9.3875(7) Å, = 103.0780(10)°, = 2976.9(4) Å3, = 4 and = 1.271 Mg m-3, and contains acetonitrile molecule in the crystal lattice.

  11. Flexible free-standing luminescent two-component fiber films with tunable hierarchical structures based on hydrogen-bonding architecture.

    Science.gov (United States)

    Yan, Dongpeng; Williams, Gareth R; Zhao, Min; Li, Changming; Fan, Guoling; Yang, Hejia

    2013-12-17

    Although the fabrication of hierarchical architectures with highly ordered functional units is of great importance for both fundamental science and practical application, the development of one-dimensional (1D) organic hierarchical micro/nanostructures based on low-molecular-weight (LMW) building blocks remains at an early stage. Herein, we report two types of micro/nanoscaled multicomponent fluorescent fiber systems with tunable hierarchical morphologies through a one-step coassembly process. With the aid of hydrogen-bonding motifs, LMW precursors (1,4-bis(5-phenyloxazol-2-yl)benzene (A) and two coassembled building blocks: 4-bromotetrafluorobenzene carboxylic acid (B) and 2,3,4,5,6-pentafluorophenol (C)) have been self-organized into fibers and flexible free-standing films, which show hierarchical micro/nanostructures as well as tunable one-/two-photon luminescence. The disassembly of the multicomponent A.B and A.C fibers occurs at high temperature, which further alters the luminescence properties of the multicomponent materials. Therefore, this work provides a facile wet chemical route for fabricating multicomponent LMW self-assembled fibers and free-standing film systems with tunable hierarchical structures and photoemission behaviors, and such self-organized systems may have potential applications in fields of two-photon luminescence and thermal sensors. PMID:24274340

  12. Wafer bonding applications and technology

    CERN Document Server

    Gösele, Ulrich

    2004-01-01

    During the past decade direct wafer bonding has developed into a mature materials integration technology. This book presents state-of-the-art reviews of the most important applications of wafer bonding written by experts from industry and academia. The topics include bonding-based fabrication methods of silicon-on-insulator, photonic crystals, VCSELs, SiGe-based FETs, MEMS together with hybrid integration and laser lift-off. The non-specialist will learn about the basics of wafer bonding and its various application areas, while the researcher in the field will find up-to-date information about this fast-moving area, including relevant patent information.

  13. Diffusion bonding

    Science.gov (United States)

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  14. Testing Sukuk And Conventional Bond Offers Based On Corporate Financing Theories Using Partial Adjustment Models: Evidence From Malaysian Listed Firms

    OpenAIRE

    Hanifa, Mohamed Hisham; Masih, Mansur; Bacha, Obiyathulla

    2014-01-01

    Sukuk (Islamic debt securities) are dominating the Malaysian capital market with strong support from the government, mega-conglomerates and firms. Sukuk, as an important source of firms’ financing, is increasingly catching up with conventional bonds in terms of volume of transactions and number of sukuk issuances. However, from theoretical perspectives, it is still largely unknown why some firms may consider sukuk issuance while others consistently rely on conventional bond offers. In examini...

  15. Dynamic response of a carbon nanotube-based rotary nano device with different carbon-hydrogen bonding layout

    Science.gov (United States)

    Yin, Hang; Cai, Kun; Wan, Jing; Gao, Zhaoliang; Chen, Zhen

    2016-03-01

    In a nano rotational transmission system (RTS) which consists of a single walled carbon nanotube (SWCNT) as the motor and a coaxially arranged double walled carbon nanotube (DWCNT) as a bearing, the interaction between the motor and the rotor in bearing, which has great effects on the response of the RTS, is determined by their adjacent edges. Using molecular dynamics (MD) simulation, the interaction is analyzed when the adjacent edges have different carbon-hydrogen (Csbnd H) bonding layouts. In the computational models, the rotor in bearing and the motor with a specific input rotational speed are made from the same armchair SWCNT. Simulation results demonstrate that a perfect rotational transmission could happen when the motor and rotor have the same Csbnd H bonding layout on their adjacent ends. If only half or less of the carbon atoms on the adjacent ends are bonded with hydrogen atoms, the strong attraction between the lower speed (100 GHz) motor and rotor leads to a synchronous rotational transmission. If only the motor or the rotor has Csbnd H bonds on their adjacent ends, no rotational transmission happens due to weak interaction between the bonded hydrogen atoms on one end with the sp1 bonded carbon atoms on the other end.

  16. HYDROGEN BONDING IN THE METHANOL DIMER

    Science.gov (United States)

    In this work, two methanol molecules are placed in different arrangements to study hydrogen bonding in carbohydrate materials such as cellulose. Energy was calculated as a function of both hydrogen bond length and angle over wide ranges, using quantum mechanics (QM). The QM wavefunctions are analyze...

  17. Lubricating Properties of Ceramic-Bonded Calcium Fluoride Coatings on Nickel-Base Alloys from 75 to 1900 deg F

    Science.gov (United States)

    Sliney, Harold E.

    1962-01-01

    The endurance life and the friction coefficient of ceramic-bonded calcium fluoride (CaF2) coatings on nickel-base alloys were determined at temperatures from 75 F to 1900 F. The specimen configuration consisted of a hemispherical rider (3/16-in. rad.) sliding against the flat surface of a rotating disk. Increasing the ambient temperature (up to 1500 F) or the sliding velocity generally reduced the friction coefficient and improved coating life. Base-metal selection was critical above 1500 F. For instance, cast Inconel sliding against coated Inconel X was lubricated effectively to 1500 F, but at 1600 F severe blistering of the coatings occurred. However, good lubrication and adherence were obtained for Rene 41 sliding against coated Rene 41 at temperatures up to 1900 F; no blisters developed, coating wear life was fairly good, and the rider wear rate was significantly lower than for the unlubricated metals. Friction coefficients were 0.12 at 1500 F, 0.15 at 1700 F, and 0.17 at 1800 F and 1900 F. Because of its ready availability, Inconel X appears to be the preferred substrate alloy for applications in which the temperature does not exceed 1500 F. Rene 41 would have to be used in applications involving higher temperatures. Improved coating life was derived by either preoxidizing the substrate metals prior to the coating application or by applying a very thin (less than 0.0002 in.) burnished and sintered overlay to the surface of the coating. Preoxidation did not affect the friction coefficient. The overlay generally resulted in a higher friction coefficient than that obtained without the overlay. The combination of both modifications resulted in longer coating life and in friction coefficients intermediate between those obtained with either modification alone.

  18. Investigating the Effect of Recruitment Variability on Length-Based Recruitment Indices for Antarctic Krill Using an Individual-Based Population Dynamics Model

    OpenAIRE

    Stéphane Thanassekos; Cox, Martin J.; Keith Reid

    2014-01-01

    Antarctic krill (Euphausia superba; herein krill) is monitored as part of an on-going fisheries observer program that collects length-frequency data. A krill feedback management programme is currently being developed, and as part of this development, the utility of data-derived indices describing population level processes is being assessed. To date, however, little work has been carried out on the selection of optimum recruitment indices and it has not been possible to assess the performance...

  19. 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.

  20. An investigation on the influence of tin foil substitute contamination on bond strength between resin denture teeth and the denture base: An in vitro study

    OpenAIRE

    Sapna Bhaskaran; Hallikerimath, R B

    2012-01-01

    Statement of Problem: The problem of acrylic resin denture teeth separating from their denture base remains a major problem in prosthodontic practice and is frustrating to the patients as well as the dentists. Purpose: This study investigated the influence of tin foil substitute contamination on bond strength between acrylic resin denture teeth and their denture base. Materials and Methods: A total of 80 modified acrylic resin maxillary left central incisors were processed to their dent...

  1. Physical mechanisms of copper-copper wafer bonding

    Energy Technology Data Exchange (ETDEWEB)

    Rebhan, B., E-mail: b.rebhan@evgroup.com [EV Group, DI E. Thallner Straße 1, 4782 St. Florian/Inn (Austria); Christian Doppler Labor für mikroskopische und spektroskopische Materialcharakterisierung, Zentrum für Oberflächen-und Nanoanalytik, Johannes Kepler Universität, Altenberger Straße 69, 4040 Linz (Austria); Hingerl, K., E-mail: kurt.hingerl@jku.at [Center for Surface- and Nano Analytics, Johannes Kepler University, 4040 Linz (Austria)

    2015-10-07

    The study of the physical mechanisms driving Cu-Cu wafer bonding allowed for reducing the bonding temperatures below 200 °C. Metal thermo-compression Cu-Cu wafer bonding results obtained at such low temperatures are very encouraging and suggest that the process is possible even at room temperature if some boundary conditions are fulfilled. Sputtered (PVD) and electroplated Cu thin layers were investigated, and the analysis of both metallization techniques demonstrated the importance of decreasing Cu surface roughness. For an equal surface roughness, the bonding temperature of PVD Cu wafers could be even further reduced due to the favorable microstructure. Their smaller grain size enhances the length of the grain boundaries (observed on the surface prior bonding), acting as efficient mass transfer channels across the interface, and hence the grains are able to grow over the initial bonding interface. Due to the higher concentration of random high-angle grain boundaries, this effect is intensified. The model presented is explaining the microstructural changes based on atomic migration, taking into account that the reduction of the grain boundary area is the major driving force to reduce the Gibbs free energy, and predicts the subsequent microstructure evolution (grain growth) during thermal annealing.

  2. Physical mechanisms of copper-copper wafer bonding

    International Nuclear Information System (INIS)

    The study of the physical mechanisms driving Cu-Cu wafer bonding allowed for reducing the bonding temperatures below 200 °C. Metal thermo-compression Cu-Cu wafer bonding results obtained at such low temperatures are very encouraging and suggest that the process is possible even at room temperature if some boundary conditions are fulfilled. Sputtered (PVD) and electroplated Cu thin layers were investigated, and the analysis of both metallization techniques demonstrated the importance of decreasing Cu surface roughness. For an equal surface roughness, the bonding temperature of PVD Cu wafers could be even further reduced due to the favorable microstructure. Their smaller grain size enhances the length of the grain boundaries (observed on the surface prior bonding), acting as efficient mass transfer channels across the interface, and hence the grains are able to grow over the initial bonding interface. Due to the higher concentration of random high-angle grain boundaries, this effect is intensified. The model presented is explaining the microstructural changes based on atomic migration, taking into account that the reduction of the grain boundary area is the major driving force to reduce the Gibbs free energy, and predicts the subsequent microstructure evolution (grain growth) during thermal annealing

  3. Making End-Bonded Contacts to Carbon Nanotubes

    Science.gov (United States)

    Tang, Jianshi; Cao, Qing; Tulevski, George; Han, Shu-Jen

    As a promising candidate for post-Si era, the implementation of carbon nanotube (CNT)-based CMOS technology requires both high-quality channel and electrical contacts that can be scaled down to sub-10 nm. In the efforts of making scalable contacts to CNT, we have recently demonstrated low-resistance end-bonded carbide contacts, formed by the reaction of Mo with CNT through high-temperature annealing (>800 oC). Such end-bonded contact scheme leads to a size-independent contact resistance of about 30 kilo-ohms, which overcomes the scaling limit of conventional side contacts. In this talk, we will present another strategy to make end-bonded contacts to CNTs through thermal annealing at much lower temperatures (400-600 oC). The contact metals are carefully chosen to have a high carbon solubility, so that the carbon atoms could dissolve into the contacts to inherently form end-bonded contacts. Experimental results, including Raman, SEM, and electrical measurements, with different annealing temperatures will be presented. The length-dependent contact resistance for this new end-bonded contact will be evaluated and compared with that of conventional side contact and also end-bonded carbide contact.

  4. A Single-Shot Method for Measuring Femtosecond Bunch Length in Linac-Based Free-Electron Lasers

    International Nuclear Information System (INIS)

    There is growing interest in the generation and characterization of femtosecond and subfemtosecond pulses from linac-based free-electron lasers (FELs). In this report, following the method of Ricci and Smith (Phys. Rev. ST Accel. Beams 3, 032801 (2000)), we investigate the measurement of the longitudinal bunch profile of an ultrashort electron bunch produced by these FELs. We show that this method can be applied in a straightforward manner at x-ray FEL facilities such as the Linac Coherent Light Source by slightly adjusting the second bunch compressor followed by running the bunch on an rf zero-crossing phase of the final linac. We find that the linac wakefield strongly perturbs the measurement, and through analysis show that it can be compensated in a simple way. We demonstrate the effectiveness of this method and wakefield compensation through numerical simulations, including effects of coherent synchrotron radiation and longitudinal space charge. When used in conjunction with a high-resolution electron spectrometer, this method potentially reveals the temporal profile of the electron beam down to the femtosecond and subfemotsecond scale.

  5. 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 bulk...... and thin-film glasses were used in the bonding experiments. Bond quality was evaluated using a tensile test on structured dies. The effect of oxygen-based pre-treatments of the nitride surface on the bond quality has been evaluated. Bond strengths up to 35 Nrmm2 and yields up to 100% were obtained....

  6. Cloning a Full-length cDNA Encoding UDP-glucose Pyrophosphorylase from Amorpha fruticosa by PCR-based Methods

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A method based on degenerate Oligo-primed polymerase chain reaction (PCR) and random amplification of cDNA end (RACE) PCR for cloning a full-length cDNA is described. An Amorpha fruticosa cDNA clone encoding UDP-glucose pyrophosphorylase (UGP), a key enzyme producing UDP-glucose in the synthesis of sucrose and cell ulose, is cloned by using this method. We design 5' RACE primers based on UGP A1 fragment, which obtains from degenerate PCR. Inverse PCR and nested PCR enable cloning of the remainder 5' and 3' end fragments of the gene. The deduced amino acid sequence exhibits significant homology with the other UGP genes cloned. This method is more simple and inexpensive than screening cDNA library, and can be easily adapted to clone other genes.

  7. Implementation and Evaluation of Web-Based Learning Activities on Bonding and the Structure of Matter for 10-th Grade Chemistry

    Science.gov (United States)

    Frailich, Marcel

    This study deals with the development, implementation, and evaluation of web-based activities associated with the topic of chemical bonding , as taught in 10th grade chemistry. A website was developed entitled: "Chemistry and the Chemical Industry in the Service of Mankind", its URL is: http://stwww.weizmann.ac.il/g-chem/learnchem (Kesner, Frailich, & Hofstein, 2003). The main goal of this study was to assess the educational effectiveness of website activities dealing with the chemical bonding concept. These activities include visualization tools, as well as topics relevant to daily life and industrial applications. The study investigated the effectiveness of a web-based learning environment regarding the understanding of chemical bonding concepts, students' perceptions of the classroom learning environment, their attitudes regarding the relevance of learning chemistry to everyday life, and their interest in chemistry studies. As mentioned before, in the present study we focused on activities (from the website), all of which deal with chemical bonding concept. The following are the reasons for the decision to focus on this topic: (1) Chemical bonding is a key concept that is taught in 10th grade chemistry in high school. It provides the basis for many other chemistry topics that are taught later, and (2) Chemical bonding is a difficult for students using existing tools (e. g., static models in books, ball-and- stick models), which are insufficient to demonstrate the abstract nature phenomena associated with this topic. The four activities developed for this study are (1) models of the atomic structure, (2) metals -- structure and properties, (3) ionic substances in everyday life and in industry, and (4) molecular substances -- structure, properties, and uses. The study analyzed both quantitative and qualitative research. The quantitative tools of the study included: A Semantic Differential questionnaire and a Chemistry Classroom Web-Based Learning Environment

  8. Reduced-Temperature Transient-Liquid-Phase Bonding of AluminaUsing a Ag-Cu-Based Brazing Alloy

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Sung Moo; Glaeser, Andreas M.

    2005-12-19

    The mechanical properties and microstructural evolution ofmetal-ceramic bonds produced using a transient liquid phase (TLP) aredescribed. Alumina (Al2O3) was joined at 500 degrees C, 600 degrees C,and 700 degrees C using a multilayer In/Cusil-ABA (R) (commercialcopper-silver eutectic brazing alloy)/In interlayer. The introduction ofthin In cladding layers allows the system to bond at much lowertemperatures than those typically used for brazing with Cusil-ABA (R),thereby protecting temperature-sensitive components. After chemicalhomogenization, the interlayers retain an operating temperature rangesimilar to that of the brazed joints. TLP bonds made at 500 degrees C,600 degrees C, and 700 degrees C with holding times ranging from as lowas 1.5 h to 24 h had average fracture strengths above 220 MPa. Theeffects of bonding temperature and time on fracture strength aredescribed. Preliminary analysis of the interlayers shows that the Ag-Inor Cu-In intermetallic phases do not form. Considerations unique tosystems with two-phase core layers are discussed. Experiments usingsingle-crystal sapphire indicate rapid formation of a reaction layer at700 degrees C, suggesting the possibility of making strong bonds usinglower temperatures and/or shorter processing times.

  9. High-Temperature Oxidation-Resistant and Low Coefficient of Thermal Expansion NiAl-Base Bond Coat Developed for a Turbine Blade Application

    Science.gov (United States)

    2003-01-01

    Many critical gas turbine engine components are currently made from Ni-base superalloys that are coated with a thermal barrier coating (TBC). The TBC consists of a ZrO2-based top coat and a bond coat that is used to enhance the bonding between the superalloy substrate and the top coat. MCrAlY alloys (CoCrAlY and NiCrAlY) are currently used as bond coats and are chosen for their very good oxidation resistance. TBC life is frequently limited by the oxidation resistance of the bond coat, along with a thermal expansion mismatch between the metallic bond coat and the ceramic top coat. The aim of this investigation at the NASA Glenn Research Center was to develop a new longer life, higher temperature bond coat by improving both the oxidation resistance and the thermal expansion characteristics of the bond coat. Nickel aluminide (NiAl) has excellent high-temperature oxidation resistance and can sustain a protective Al2O3 scale to longer times and higher temperatures in comparison to MCrAlY alloys. Cryomilling of NiAl results in aluminum nitride (AlN) formation that reduces the coefficient of thermal expansion (CTE) of the alloy and enhances creep strength. Thus, additions of cryomilled NiAl-AlN to CoCrAlY were examined as a potential bond coat. In this work, the composite alloy was investigated as a stand-alone substrate to demonstrate its feasibility prior to actual use as a coating. About 85 percent of prealloyed NiAl and 15 percent of standard commercial CoCrAlY alloys were mixed and cryomilled in an attritor with stainless steel balls used as grinding media. The milling was carried out in the presence of liquid nitrogen. The milled powder was consolidated by hot extrusion or by hot isostatic pressing. From the consolidated material, oxidation coupons, four-point bend, CTE, and tensile specimens were machined. The CTE measurements were made between room temperature and 1000 C in an argon atmosphere. It is shown that the CTE of the NiAl-AlN-CoCrAlY composite bond coat

  10. A simplified indirect bonding technique

    Directory of Open Access Journals (Sweden)

    Radha Katiyar

    2014-01-01

    Full Text Available With the advent of lingual orthodontics, indirect bonding technique has become an integral part of practice. It involves placement of brackets initially on the models and then their transfer to teeth with the help of transfer trays. Problems encountered with current indirect bonding techniques used are (1 the possibility of adhesive flash remaining around the base of the brackets which requires removal (2 longer time required for the adhesive to gain enough bond strength for secure tray removal. The new simplified indirect bonding technique presented here overcomes both these problems.

  11. Characterisation of hydrogen embrittlement cracking at Ta/Zr bond interface and hydrogen embrittlement mechanism of Zr base metal. Hydrogen embrittlement in SUS304ULC/Ta/Zr explosive bonded joint

    International Nuclear Information System (INIS)

    In order to clarify the behaviour and mechanism of the hydrogen embrittlement in SUS304ULC/Ta/Zr explosive bonded joint, the hydrogen embrittlement cracking at Ta/Zr bond interface was characterised. Cracks occurred in the Zr substrate along the wavy interface of the hydrogen-charged Ta/Zr joint. The cracking susceptibility increased drastically when the potential of specimen during hydrogen-charging was reduced below the redox potential of hydrogen, γ-ZrH and δ-ZrH were precipitated in the hydrogen-charged Zr and the precipitated γ-ZrH possessed a (0002)α-Zr parallel (11-bar1)γ-ZrH, [21-bar1-bar0]α-Zr parallel [110]γ-ZrH crystallographic relationship. An in-situ observation of the hydrogen embrittlement cracking with SEM and TEM revealed that cracks were initiated in zirconium hydrides and propagated preferentially along zirconium hydrides. These results suggested that the hydrogen embrittlement mechanism of the Zr base metal was caused by the precipitation of zirconium hydrides and the brittle fracture of them. (author)

  12. Hydrogen bonding to the cysteine ligand of superoxide reductase: acid-base control of the reaction intermediates.

    Science.gov (United States)

    Tremey, Emilie; Bonnot, Florence; Moreau, Yohann; Berthomieu, Catherine; Desbois, Alain; Favaudon, Vincent; Blondin, Geneviève; Houée-Levin, Chantal; Nivière, Vincent

    2013-10-01

    Superoxide reductase (SOR) is a non-heme iron metalloenzyme that detoxifies superoxide radical in microorganisms. Its active site consists of an unusual non-heme Fe(2+) center in a [His4Cys1] square pyramidal pentacoordination, with the axial cysteine ligand proposed to be an essential feature in catalysis. Two NH peptide groups from isoleucine 118 and histidine 119 establish hydrogen bonds involving the sulfur ligand (Desulfoarculus baarsii SOR numbering). To investigate the catalytic role of these hydrogen bonds, the isoleucine 118 residue of the SOR from Desulfoarculus baarsii was mutated into alanine, aspartate, or serine residues. Resonance Raman spectroscopy showed that the mutations specifically induced an increase of the strength of the Fe(3+)-S(Cys) and S-Cβ(Cys) bonds as well as a change in conformation of the cysteinyl side chain, which was associated with the alteration of the NH hydrogen bonding involving the sulfur ligand. The effects of the isoleucine mutations on the reactivity of SOR with O2 (•-) were investigated by pulse radiolysis. These studies showed that the mutations induced a specific increase of the pK a of the first reaction intermediate, recently proposed to be an Fe(2+)-O2 (•-) species. These data were supported by density functional theory calculations conducted on three models of the Fe(2+)-O2 (•-) intermediate, with one, two, or no hydrogen bonds involving the sulfur ligand. Our results demonstrated that the hydrogen bonds between the NH (peptide) and the cysteine ligand tightly control the rate of protonation of the Fe(2+)-O2 (•-) reaction intermediate to form an Fe(3+)-OOH species. PMID:23917995

  13. Hydrogen Bonding, (1)H NMR, and Molecular Electron Density Topographical Characteristics of Ionic Liquids Based on Amino Acid Cations and Their Ester Derivatives.

    Science.gov (United States)

    Rao, Soniya S; Bejoy, Namitha Brijit; Gejji, Shridhar P

    2015-08-13

    Amino acid ionic liquids (AAILs) have attracted significant attention in the recent literature owing to their ubiquitous applications in diversifying areas of modern chemistry, materials science, and biosciences. The present work focuses on unraveling the molecular interactions underlying AAILs. Electronic structures of ion pairs consisting of amino acid cations ([AA(+)], AA = Gly, Ala, Val, Leu, Ile, Pro, Ser, Thr) and their ester substituted derivatives [AAE(+)] interacting with nitrate anion [NO3(-)] have been obtained from the dispersion corrected M06-2x density functional theory. The formation of ion pair is accompanied by the transfer of proton from quaternary nitrogen to anion facilitated via hydrogen bonding. The [Ile], [Pro], [Ser], and [Thr] and their esters reveal relatively strong inter- as well as intramolecular hydrogen-bonding interactions. Consequently, the hierarchy in binding energies of [AA][NO3] ion pairs and their ester analogues turns out to be [Gly] > [Ala] > [Ser] ∼ [Val] ∼ [Ile] > [Leu] ∼ [Thr] > [Pro]. The work underlines how the interplay of intra- as well as intermolecular hydrogen-bonding interactions in [AA]- and [AAE]-based ILs manifest in their infrared and (1)H NMR spectra. Substitution of -OCH3 functional group in [AA][NO3] ILs lowers the melting point attributed to weaker hydrogen-bonding interactions, making them suitable for room temperature applications. As opposed to gas phase structures, the presence of solvent (DMSO) does not bring about any proton transfer in the ion pairs or their ester analogues. Calculated (1)H NMR chemical shifts of the solvated structures agree well with those from experiment. Correlations of decomposition temperatures in [AA]- and [AAE]-based ILs with binding energies and electron densities at the bond critical point(s) in molecular electron density topography, have been established. PMID:26192454

  14. Electrically Pumped Room-Temperature Pulsed InGaAsP-Si Hybrid Lasers Based on Metal Bonding

    International Nuclear Information System (INIS)

    A pulsed InGaAsP-Si hybrid laser is fabricated using metal bonding. A novel structure in which the optical coupling and metal bonding areas are transversely separated is employed to integrate the silicon waveguide with an InGaAsP multi-quantum well distributed feedback structure. When electrically pumped at room temperature, the laser operates with a threshold current density of 2.9kA/cm2 and a slope efficiency of 0.02 W/A. The 1542 nm laser output exits mainly from the Si waveguide. (fundamental areas of phenomenology (including applications))

  15. Effects of nano TiN addition on the microstructure and mechanical properties of TiC based steel bonded carbides

    Institute of Scientific and Technical Information of China (English)

    WANG Zhi'an; DAI Haiyang; ZOU Yu

    2008-01-01

    TiC based steel bonded carbides with the addition of nano TiN were prepared by vicuum sintering techniques.The microstructure was investigated using scanning electron microscopy(SEM)and transmission electron microscopy (TEM),and the mechanical properties,such as bending strength,impact toughness,hardness,and density,were measured.The results indicate that the grain size becomes small and there is uniformity in the steel bonded carbide with nano addition;several smaller carbide particles are also found to be inlaid in the rim of the larger carbide grains and prevent the coalescence of TiC grains.The smaller and larger carbide grains joint firmly,and then the reduction of the average size of the grains leads to the increase in the mechanical properties of the steel bonded carbides with nano addition.But the mechanical properties do not increase monotonously with an increase in nano addition.When the nano TiN addition accounts for 6-8 wt.% of the amount of steel bonded carbides.the mechanical properties reach the maximum values and then decrease with further increase in nano TiN addition.

  16. Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (1 1 1) hydroxylated surface: The importance of H-bonding interactions

    Science.gov (United States)

    Simonetti, S.; Compañy, A. Díaz; Pronsato, E.; Juan, A.; Brizuela, G.; Lam, A.

    2015-12-01

    Silica-based mesoporous materials have been recently proposed as an efficient support for the controlled release of a popular anticancer drug, 5-fluorouracil (5-FU). Although the relevance of this topic, the atomistic details about the specific surface-drug interactions and the energy of adsorption are almost unknown. In this work, theoretical calculations using the Vienna Ab-initio Simulation Package (VASP) applying Grimme's-D2 correction were performed to elucidate the drug-silica interactions and the host properties that control 5-FU drug adsorption on β-cristobalite (1 1 1) hydroxylated surface. This study shows that hydrogen bonding, electron exchange, and dispersion forces are mainly involved to perform the 5-FU adsorption onto silica. This phenomenon, revealed by favorable energies, results in optimum four adsorption geometries that can be adopted for 5-FU on the hydroxylated silica surface. Silanols are weakening in response to the molecule approach and establish H-bonds with polar groups of 5-FU drug. The final geometry of 5-FU adopted on hydroxylated silica surface is the results of H-bonding interactions which stabilize and fix the molecule to the surface and dispersion forces which approach it toward silica (1 1 1) plane. The level of hydroxylation of the SiO2 (1 1 1) surface is reflected by the elevated number of hydrogen bonds that play a significant role in the adsorption mechanisms.

  17. 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. PMID:18710801

  18. Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting.

    Science.gov (United States)

    El-Hamdi, Majid; Solà, Miquel; Poater, Jordi; Timoshkin, Alexey Y

    2016-06-01

    The electronic structure and chemical bonding in donor-acceptor complexes formed by group 13 element adamantane and perfluorinated adamantane derivatives EC9 R'15 (E = B, Al; R' = H, F) with Lewis bases XR3 and XC9 H15 (X = N, P; R= H, CH3 ) have been studied using energy decomposition analysis at the BP86/TZ2P level of theory. Larger stability of complexes with perfluorinated adamantane derivatives is mainly due to better electrostatic and orbital interactions. Deformation energies of the fragments and Pauli repulsion are of less importance, with exception for the boron-phosphorus complexes. The MO analysis reveals that LUMO energies of EC9 R'15 significantly decrease upon fluorination (by 4.7 and 3.6 eV for E = B and Al, respectively) which results in an increase of orbital interaction energies by 27-38 (B) and 15-26 (Al) kcal mol(-1) . HOMO energies of XR3 increase in order PH3  < NH3  < PMe3  < PC9 H15  < NMe3  < NC9 H15 . For the studied complexes, there is a linear correlation between the dissociation energy of the complex and the energy difference between HOMO of the donor and LUMO of the acceptor. The fluorination of the Lewis acid significantly reduces standard enthalpies of the heterolytic hydrogen splitting H2  + D + A = [HD](+)  + [HA](-) . Analysis of several types of the [HD](+) ···[HA](-) ion pair formation in the gas phase reveals that structures with additional H···F interactions are energetically favorable. Taking into account the ion pair formation, hydrogen splitting is predicted to be highly exothermic in case of the perfluorinated derivatives both in the gas phase and in solution. Thus, fluorinated adamantane-based Lewis superacids are attractive synthetic targets for the construction of the donor-acceptor cryptands. © 2016 Wiley Periodicals, Inc. PMID:26931238

  19. Preparation of CuO nanoparticles by metal salt-base reaction in aqueous solution and their metallic bonding property

    International Nuclear Information System (INIS)

    This article describes a method for preparing CuO nanoparticles in aqueous solution, and a demonstration of feasibility of metallic bonding with the use of the CuO particles. Colloid solution of CuO nanoparticles was prepared from Cu(NO3)2 aqueous solution (0.01 M) and NaOH aqueous solution (0.019 M) at 5–80 °C. Leaf-like aggregates with an average size of 567 nm composed of CuO nanoparticles were produced at 20 °C. The size of leaf-like aggregates decreased with increasing reaction temperature. Metallic copper discs could be bonded using the CuO nanoparticles under annealing at 400 °C and pressurizing at 1.2 MPa for 5 min in H2 gas. A shear strength required for separating the bonded discs was 25.4 MPa for the CuO nanoparticles prepared at 20 °C, whose aggregates were the largest among the CuO particles examined. These results indicated that the formation of leaf-like aggregates of CuO nanoparticles led to efficient metallic bonding.

  20. Is there a sphingomyelin-based hydrogen bond barrier at the mammalian host-schistosome parasite interface?

    Science.gov (United States)

    Migliardo, Federica; Tallima, Hatem; El Ridi, Rashika

    2014-03-01

    Schistosomes develop, mature, copulate, lay eggs, and live for years in the mammalian host bloodstream, importing nutrients across the tegument, but entirely impervious to the surrounding elements of the immune system. We have hypothesized that sphingomyelin (SM) in the parasite apical lipid bilayer is responsible for these sieving properties via formation of a tight hydrogen bond network with the surrounding water. Here we have used quasi-elastic neutron scattering for characterizing the diffusion of larval and adult Schistosoma mansoni and adult Schistosoma haematobium in the surrounding medium, under various environmental conditions. The results documented the presence of a hydrogen bond barrier around larvae and adult schistosomes. The hydrogen bond network readily collapses if worms are subjected to hypoxic conditions, likely via activation of the parasite tegument-associated neutral sphingomyelinase, and consequent excessive SM hydrolysis. The slower dynamics of lung-stage larvae as compared to adult worms has been related to the existence of hydrogen-bonded networks of different strength and then to their differential resistance to immune attacks. PMID:23943053

  1. Switchable multiwavelength erbium-doped photonic crystal fiber ring laser based on a length of polarization-maintaining photonic crystal fiber

    Science.gov (United States)

    Cheng, Jianqun; Ruan, Shuangchen

    2012-03-01

    A switchable multi-wavelength Erbium-doped photonic crystal fiber (ED-PCF) ring laser based on a length of polarization-maintaining photonic crystal fiber(PM-PCF) is presented and demonstrated experimentally. A segment of ED-PCF is used as linear gain medium in the resonant cavity. Due to the polarization hole burning (PHB) caused by the PM-PCF and a polarization controller (PC), the laser can operate in stable dual- or triple- wavelength modes at room temperature. The optical signal-to-noise ratio (OSNR) of the laser without any wavelength-selective components is greater than 30 dB. The amplitude variations of lasing peaks in ten minutes are less than 0.26dB for two different operating modes.

  2. An adaptive strategy based on linear prediction of queue length to minimize congestion in Barabási—Albert scale-free networks

    International Nuclear Information System (INIS)

    In this paper, we propose an adaptive strategy based on the linear prediction of queue length to minimize congestion in Barabási—Albert (BA) scale-free networks. This strategy uses local knowledge of traffic conditions and allows nodes to be able to self-coordinate their accepting probability to the incoming packets. We show that the strategy can delay remarkably the onset of congestion and systems avoiding the congestion can benefit from hierarchical organization of accepting rates of nodes. Furthermore, with the increase of prediction orders, we achieve larger values for the critical load together with a smooth transition from free-flow to congestion. (interdisciplinary physics and related areas of science and technology)

  3. AnSBBR with circulation applied to biohydrogen production treating sucrose based wastewater: effects of organic loading, influent concentration and cycle length

    Directory of Open Access Journals (Sweden)

    D. A. Santos

    2014-09-01

    Full Text Available An anaerobic sequencing batch biofilm reactor (AnSBBR containing immobilized biomass and operating with recirculation of the liquid phase (total liquid volume 4.5 L; treated volume per cycle 1.9 L was used to treat sucrose-based wastewater at 30 ºC and produce biohydrogen. The influence of applied volumetric organic load was studied by varying the influent concentration at 3600 and 5400 mgCOD.L-1 and using cycle lengths of 4, 3 and 2 hours, obtaining in this manner volumetric organic loads of 9, 12, 13.5, 18 and 27 gCOD.L-1.d-1. Different performance indicators were used: productivity and yield of biohydrogen per applied and removed load, reactor stability and efficiency based on the applied and removed organic loads, both in terms of organic matter (measured as COD and carbohydrate (sucrose. The results revealed system stability (32-37% of H2 in biogas during biohydrogen production, as well as substrate consumption (12-19% COD; 97-99% sucrose. Conversion efficiencies decreased when the influent concentration was increased (at constant cycle length and when cycle lengths were reduced (at constant influent concentrations. The best yield was 4.16 mol-H2.kg-SUC-1 (sucrose load at 9 gCOD.L-1.d-1 (3600 mgCOD.L-1 and 4 h with H2 content in the biogas of 36% (64% CO2 and 0% CH4. However, the best specific molar productivity of hydrogen was 8.5 molH2.kgTVS-1.d-1 (32% H2; 68% CO2; 0% CH4, at 18 gCOD.L-1.d-1 (5400 mgCOD.L-1 and 3 h, indicating that the best productivity tends to occur at higher organic loads, as this parameter involves the "biochemical generation" of biogas, whereas the best yield tends to occur at lower and/or intermediate organic loads, as this parameter involves "biochemical consumption" of the substrate. The most significant metabolites were ethanol, acetic acid and butyric acid. Microbiological analyses revealed that the biomass contained bacilli and endospore filaments and showed no significant variations in morphology between

  4. Chain length dependent alkane/β-cyclodextrin nonamphiphilic supramolecular building blocks.

    Science.gov (United States)

    Zhou, Chengcheng; Huang, Jianbin; Yan, Yun

    2016-02-01

    In this work we report the chain length dependent behavior of the nonamphiphilic supramolecular building blocks based on the host-guest inclusion complexes of alkanes and β-cyclodextrins (β-CD). (1)H NMR, ESI-MS, and SAXS measurements verified that upon increasing the chain length of alkanes, the building blocks for vesicle formation changed from channel type 2alkane@2β-CD via channel type alkane@2β-CD to non-channel type 2alkane@2β-CD. FT-IR and TGA experiments indicated that hydrogen bonding is the extensive driving force for vesicle formation. It revealed that water molecules are involved in vesicle formation in the form of structural water. Upon changing the chain length, the average number of water molecules associated with per building block is about 16-21, depending on the chain length. PMID:26660592

  5. Insights into electron tunneling across hydrogen-bonded base-pairs in complete molecular circuits for single-stranded DNA sequencing

    Science.gov (United States)

    Lee, Myeong H.; Sankey, Otto F.

    2009-01-01

    We report a first-principles study of electron ballistic transport through a molecular junction containing deoxycytidine-monophosphate (dCMP) connected to metal electrodes. A guanidinium ion and guanine nucleobase are tethered to gold electrodes on opposite sides to form hydrogen bonds with the dCMP molecule providing an electric circuit. The circuit mimics a component of a potential device for sequencing unmodified single-stranded DNA. The molecular conductance is obtained from DFT Green's function scattering methods and is compared to estimates from the electron tunneling decay constant obtained from the complex band structure. The result is that a complete molecular dCMP circuit of 'linker((CH2)2)-guanidinium-phosphate-deoxyribose-cytosine-guanine' has a very low conductance (of the order of fS) while the hydrogen-bonded guanine-cytosine base-pair has a moderate conductance (of the order of tens to hundreds of nS). Thus, while the transverse electron transfer through base-pairing is moderately conductive, electron transfer through a complete molecular dCMP circuit is not. The gold Fermi level is found to be aligned very close to the HOMO for both the guanine-cytosine base-pair and the complete molecular dCMP circuit. Results for two different plausible geometries of the hydrogen-bonded dCMP molecule reveal that the conductance varies from fS for an extended structure to pS for a slightly compressed structure.

  6. Retention behavior of polycyclic aromatic hydrocarbons in supercritical fluid chromatography on a chemically bonded stationary phases based upon liquid-crystalline polymer

    Energy Technology Data Exchange (ETDEWEB)

    Gritti [Bordeaux I Univ., Pessac (France). INSCPB; Bordeaux I Univ., Pessac (France). CRPP; Felix, G. [Bordeaux I Univ., Pessac (France). INSCPB; Achard, M.F.; Hardouin, F. [Bordeaux I Univ., Pessac (France). CRPP

    2001-02-01

    The retention behavior of a set of polycyclic hydrocarbons in supercritical fluid chromatography have been studied on a chemically bonded stationary phase based upon a side chain liquid crystalline polymer (LCP) with carbon dioxide-based mobile phase. The effects of the mobile phase pressure, column temperature and amount of mobile phase organic modifier have been investigated in order to detect a possible structural change in the liquid crystal polymer linked to the silica support. The influence of these factors on the selectivity coefficients has also been studied. Two distinctive behaviors with temperature are noted at low pressure on the one hand and at higher pressure on the other. This change in behavior is based on the density of the supercritical CO{sub 2} and the PAH volatility rather than on any specific stationary phase structural change. Both lower mobile phase pressure and amount of mobile phase modifier are required to obtain better selectivities. Better planarity recognition is observed in SFC than in HPLC with these new bonded liquid crystal stationary phases. The bonded liquid crystal phase is only weakly affected by the addition of organic modifier in the supercritical CO{sub 2}. (orig.)

  7. SU-8- and PDMS-based hybrid fabrication technology for combination of permanently bonded flexible and rigid features on a single device

    International Nuclear Information System (INIS)

    In this article, a novel hybrid fabrication technology is presented that uses both a flexible polymer (polydimethylsiloxane-–PDMS) and a rigid polymer (SU-8). A covalent bond between the flexible and rigid polymer layers is achieved using an oxygen plasma treatment during a layer-by-layer direct spin-on process. Precise alignment of the features in each layer and a highly repeatable method are achieved by this new process. As a proof-of-concept, we successfully fabricated PDMS-based flexible microfluidic devices with SU-8-based rigid world-to-chip/chip-to-world interconnects. The bond strength between the PDMS and SU-8 layers is measured by three methods: (1) Instron® microtester to pull apart the layers; (2) voice coil actuator to test the bond between interconnects and the substrate; and (3) microfluidic pressurization test to evaluate the bond strength along the channels. The bond strength between the flexible PDMS layer and the rigid SU-8 features is very strong; the bond between these two polymers does not fail during these evaluations although the integrity of the PDMS layer itself fails during the microtester evaluation. Additionally, the layer-by-layer direct spin-on process resulted in a repeatable process and precise alignment of the features in each layer, which are necessary in order to achieve consistent performance from the fabricated devices. The rigid SU-8 interconnects fabricated onto a flexible PDMS device serve as a world-to-chip/chip-to-world interconnects for the direct connection with Tygon® tubing. Three different designs of hybrid (PDMS and SU-8 based) microfluidic devices are designed, fabricated and tested. Each variation differed in the microchannel design in order to demonstrate the versatility of the process to make devices on multiple scales and patterns. These hybrid microfluidic devices are capable of functioning without leakage up to pressures of 85.85 ±3.56 kPa. Although microfluidic channels with interconnects are shown as a

  8. Length Mutations in Human Mitochondrial DNA

    OpenAIRE

    Cann, R. L.; Wilson, A. C.

    1983-01-01

    By high-resolution, restriction mapping of mitochondrial DNAs purified from 112 human individuals, we have identified 14 length variants caused by small additions and deletions (from about 6 to 14 base pairs in length). Three of the 14 length differences are due to mutations at two locations within the D loop, whereas the remaining 11 occur at seven sites that are probably within other noncoding sequences and at junctions between coding sequences. In five of the nine regions of length polymor...

  9. Acid-base formalism in dispersion-stabilized S-H···Y (Y═O, S) hydrogen-bonding interactions.

    Science.gov (United States)

    Bhattacherjee, Aditi; Matsuda, Yoshiyuki; Fujii, Asuka; Wategaonkar, Sanjay

    2015-02-19

    The role of sulfhydryl (S-H) group as hydrogen bond donor is not as well studied as that of hydroxyl (O-H). In this work we report on the hydrogen-bonding properties of S-H donor in 1:1 complexes of H2S with diethyl ether (Et2O), dibutyl ether (Bu2O), and 1,4-dioxane (DO). The complexes were prepared in supersonic jet and investigated using infrared predissociation spectroscopy based on VUV photoionization detection. The IR spectra of all the complexes showed the presence of a broad, intensity-enhanced, and red-shifted hydrogen-bonded S-H stretching transition. The S-H stretching frequency was red-shifted by 46, 63, and 49 cm(-1) in H2S-Et2O, H2S-Bu2O, and H2S-DO complexes, respectively, suggesting that all the complexes are S-H···O bound. Computationally, two different S-H···O bound structures, namely, "coplanar" and "perpendicular", were obtained as the minimum energy structures for these complexes at the MP2/6-311++G** level, with the former being the global minimum. However, with Dunning-type basis sets (aug-cc-pVDZ and aug-cc-pVTZ) only the perpendicular structures were found to be stable at the MP2 level. The large widths of the bound S-H stretch observed in the experimental spectra (fwhm of 35 to 80 cm(-1)) were attributed to inhomogeneous broadening due to multiple conformations of the alkyl chains in the coplanar and perpendicular structures populated in the jet. The frequency shifts in the hydrogen-bonded S-H stretching mode as well as the bond dissociation energies of all S-H···Y (Y═O,S) complexes of H2S, which includes the H2S dimer and H2S-methanol (H2S-MeOH) complexes reported in our previous work (ChemPhysChem 2013, 14, 905-914), were found to scale linearly with the proton affinity of the acceptor molecule. In this regard the S-H group, like O-H, is found to conform to the widely accepted acid-base nature of hydrogen-bonding interactions. PMID:25611613

  10. Golden Sections of Interatomic Distances as Exact Ionic Radii and Additivity of Atomic and Ionic Radii in Chemical Bonds

    CERN Document Server

    Heyrovska, Raji

    2009-01-01

    The Golden ratio which appears in the geometry of a variety of creations in Nature is found to arise right in the Bohr radius of the hydrogen atom due to the opposite charges of the electron and proton. The bond length of the hydrogen molecule is the diagonal of a square on the Bohr radius and hence also has two Golden sections, which form the cationic and anionic radii of hydrogen. It is shown here that these radii account for the bond lengths of many hydrides when added to the atomic and Golden ratio based ionic radii of many other atoms.

  11. Site- and bond-percolation thresholds in Kn ,n-based lattices: Vulnerability of quantum annealers to random qubit and coupler failures on chimera topologies

    Science.gov (United States)

    Melchert, O.; Katzgraber, Helmut G.; Novotny, M. A.

    2016-04-01

    We estimate the critical thresholds of bond and site percolation on nonplanar, effectively two-dimensional graphs with chimeralike topology. The building blocks of these graphs are complete and symmetric bipartite subgraphs of size 2 n , referred to as Kn ,n graphs. For the numerical simulations we use an efficient union-find-based algorithm and employ a finite-size scaling analysis to obtain the critical properties for both bond and site percolation. We report the respective percolation thresholds for different sizes of the bipartite subgraph and verify that the associated universality class is that of standard two-dimensional percolation. For the canonical chimera graph used in the D-Wave Systems Inc. quantum annealer (n =4 ), we discuss device failure in terms of network vulnerability, i.e., we determine the critical fraction of qubits and couplers that can be absent due to random failures prior to losing large-scale connectivity throughout the device.

  12. Investigation of biopolymer-based hydrogels as green and heterogeneous catalysts in C-C bond formation

    OpenAIRE

    Kühbeck, Dennis

    2015-01-01

    The present dissertation evaluates the efficacy of different polysaccharides (e.g. chitosan, alginate and kappa-carrageenan) and proteins (e.g. gelatin, collagen, silk fibroin) as possible catalysts for a variety of C-C bond formation reactions. These biopolymers can be obtained in different forms (e.g. hydrogels, mesoporous materials). Among different forms hydrogels are one of the most interesting since they could act as biphasic and heterogeneous systems in chemical transformations and fa...

  13. Design of a Nickel-Based Bond-Coat Alloy for Thermal Barrier Coatings on Copper Substrates

    Directory of Open Access Journals (Sweden)

    Torben Fiedler

    2014-11-01

    Full Text Available To increase the lifetime of rocket combustion chambers, thermal barrier coatings (TBC may be applied on the copper chamber wall. Since standard TBC systems used in gas turbines are not suitable for rocket-engine application and fail at the interface between the substrate and bond coat, a new bond-coat material has to be designed. This bond-coat material has to be chemically compatible to the copper substrate to improve the adhesion and needs a coefficient of thermal expansion close to that of copper to reduce thermal stresses. One approach to achieve this is to modify the standard NiCrAlY alloy used in gas turbines by adding copper. In this work, the influence of copper on the microstructure of NiCrAlY-alloys is investigated with thermodynamical calculations, optical microscopy, SEM, EDX and calorimetry. Adding copper leads to the formation of a significant amount of \\(\\beta\\ and \\(\\alpha\\ Reducing the aluminum and chromium content leads furthermore to a two-phase fcc microstructure.

  14. Comparative Evaluation of Osseointegrated Dental Implants Based on Platform-Switching Concept: Influence of Diameter, Length, Thread Shape, and In-Bone Positioning Depth on Stress-Based Performance

    OpenAIRE

    Giuseppe Vairo; Gianpaolo Sannino

    2013-01-01

    This study aimed to investigate the influence of implant design (in terms of diameter, length, and thread shape), in-bone positioning depth, and bone posthealing crestal morphology on load transfer mechanisms of osseointegrated dental implants based on platform-switching concept. In order to perform an effective multiparametric comparative analysis, 11 implants different in dimensions and in thread features were analyzed by a linearly elastic 3-dimensional finite element approach, under a sta...

  15. Investigating Micro-Tensile Bond Strength of Silorane Based Composite in Enamel Surfaces Prepared by Er:YAG Laser vs. Bur-Cut

    OpenAIRE

    AR Daneshkazemi; M Modaber; AR Davari; S Ravai

    2014-01-01

    Introduction: Recently, Er:YAG laser has been used for tooth preparations and silorane-based composites have been introduced to dentistry, though investigating this type of composites has received scant attention. Therefore, the aim of this study was to compare microtensile bond strength (MTBS) of silorane- based composite (Filtek P90 3M/USA) to enamel sufaces, prepared by Er:YAG laser irradiation versus bur cut. Methods:Same sized cavities were prepared by ER:YAG laser and bur on the enam...

  16. Einstein's Length Concept

    International Nuclear Information System (INIS)

    Einstein's length measuring procedure of a rod moving with velocity υ (0 ≤ |υ| < c) is discussed. The part of this procedure, namely measuring the length of the resting (υ = 0) rod, is realizable and leads to the elongation of the moving rod. The other part of Einstein's procedure, measuring the length of the moving (υ ≠ 0) rod, is not realizable and leads to the contraction of the moving rod. As the result of this procedure the moving rod contraction concept is supposed physically unfounded. (author). 8 refs; 1 fig

  17. Modelling of dynamic contact length in rail grinding process

    Science.gov (United States)

    Zhi, Shaodan; Li, Jianyong; Zarembski, A. M.

    2014-09-01

    Rails endure frequent dynamic loads from the passing trains for supporting trains and guiding wheels. The accumulated stress concentrations will cause the plastic deformation of rail towards generating corrugations, contact fatigue cracks and also other defects, resulting in more dangerous status even the derailment risks. So the rail grinding technology has been invented with rotating grinding stones pressed on the rail with defects removal. Such rail grinding works are directed by experiences rather than scientifically guidance, lacking of flexible and scientific operating methods. With grinding control unit holding the grinding stones, the rail grinding process has the characteristics not only the surface grinding but also the running railway vehicles. First of all, it's important to analyze the contact length between the grinding stone and the rail, because the contact length is a critical parameter to measure the grinding capabilities of stones. Moreover, it's needed to build up models of railway vehicle unit bonded with the grinding stone to represent the rail grinding car. Therefore the theoretical model for contact length is developed based on the geometrical analysis. And the calculating models are improved considering the grinding car's dynamic behaviors during the grinding process. Eventually, results are obtained based on the models by taking both the operation parameters and the structure parameters into the calculation, which are suitable for revealing the process of rail grinding by combining the grinding mechanism and the railway vehicle systems.

  18. Streptococcus mutans counts in plaque adjacent to orthodontic brackets bonded with resin-modified glass ionomer cement or resin-based composite

    Directory of Open Access Journals (Sweden)

    Solange Machado Mota

    2008-03-01

    Full Text Available This study investigated the number of Streptococcus mutans CFU (colony forming units in the saliva and plaque adjacent to orthodontic brackets bonded with a glass ionomer cement - GIC (Fuji Ortho or a resin-based composite - RC (Concise. Twenty male and female patients, aged 12 to 20 years, participated in the study. Saliva was collected before and after placement of appliances. Plaque was collected from areas adjacent to brackets and saliva was again collected on the 15th, 30th, and 45th day after placement. On the 30th day, 0.4% stannous fluoride gel was applied for 4 minutes. No significant modification in the number of Streptococcus mutans CFU in saliva was observed after placement of the fixed orthodontic appliances. On the 15th day, the percentage of Streptococcus mutans CFU in plaque was statistically lower in sites adjacent to GIC-bonded brackets (mean = 0.365 than in those adjacent to RC-bonded brackets (mean = 0.935. No evidence was found of a contribution of GIC to the reduction of CFU in plaque after the 15th day. Topical application of stannous fluoride gel on the 30th day reduced the number of CFU in saliva, but not in plaque. This study suggests that the antimicrobial activity of GIC occurs only in the initial phase and is not responsible for a long-term anticariogenic property.

  19. Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation

    International Nuclear Information System (INIS)

    Highlights: • Enthalpies of solution measured for 48 solutes dissolved in mesitylene. • Enthalpies of solution measured for 81 solutes dissolved in p-xylene. • Abraham model correlations derived for enthalpies of solvation of solutes in mesitylene. • Abraham model correlations derived for enthalpies of solvation of solutes in p-xylene. • Hydrogen-bonding enthalpies reported for interactions of aromatic hydrocarbons with hydrogen-bond acidic solutes. - Abstract: Enthalpies of solution at infinite dilution of 48 organic solutes in mesitylene and 81 organic solutes in p-xylene were measured using isothermal solution calorimeter. Enthalpies of solvation for 92 organic vapors and gaseous solutes in mesitylene and for 130 gaseous compounds in p-xylene were determined from the experimental and literature data. Abraham model correlations are determined from the experimental enthalpy of solvation data. The derived correlations describe the experimental gas-to-mesitylene and gas-to-p-xylene solvation enthalpies to within average standard deviations of 1.87 kJ mol−1 and 2.08 kJ mol−1, respectively. Enthalpies of X-H⋯π (X-O, N, and C) hydrogen bond formation of proton donor solutes (alcohols, amines, chlorinated hydrocarbons etc.) with mesitylene and p-xylene were calculated based on the Abraham solvation equation. Obtained values are in good agreement with the results determined using conventional methods

  20. Effects of growing integrated layer [GIL] formation on bonding behavior between hydroxyapatite ceramics and Ti-based bulk metallic glasses via hydrothermal hot-pressing

    International Nuclear Information System (INIS)

    The authors successfully formed a bond between bioactive hydroxyapatite (HA) ceramics and titanium (Ti)-based bulk metallic glasses (Ti40Zr10Cu36Pd14: BMG) through a growing integrated layer (GIL) to develop a new type of biomaterial. The GILs were formed on the BMG surfaces by hydrothermal-electrochemical (HE) techniques. The BMG substrates were treated in a 5 mol/L NaOH solution at 90 deg. C for 10-120 min while a constant electric current of 0.5 mA/cm2 was maintained between the electrodes. Then the BMG disks with the GIL and a powder mixture of CaHPO4.2H2O and Ca(OH)2 were simultaneously treated with an autoclave for hydrothermal hot-pressing (HHP) (150 oC, 40 MPa, 2 h). Direct bonding between the HA ceramics and the BMG disks could be achieved through the above processing method. Consequently, to the best of our knowledge, this is the first demonstration of the usefulness of a series of hydrothermal techniques (HE and HHP) for direct bonding of bulk ceramics and bulk metallic materials.