Mean bond-length variations in crystals for ions bonded to oxygen
2017-01-01
Variations in mean bond length are examined in oxide and oxysalt crystals for 55 cation configurations bonded to O2−. Stepwise multiple regression analysis shows that mean bond length is correlated to bond-length distortion in 42 ion configurations at the 95% confidence level, with a mean coefficient of determination (〈R 2〉) of 0.35. Previously published correlations between mean bond length and mean coordination number of the bonded anions are found not to be of general applicability to inorganic oxide and oxysalt structures. For two of 11 ions tested for the 95% confidence level, mean bond lengths predicted using a fixed radius for O2− are significantly more accurate as those predicted using an O2− radius dependent on coordination number, and are statistically identical otherwise. As a result, the currently accepted ionic radii for O2− in different coordinations are not justified by experimental data. Previously reported correlation between mean bond length and the mean electronegativity of the cations bonded to the oxygen atoms of the coordination polyhedron is shown to be statistically insignificant; similar results are obtained with regard to ionization energy. It is shown that a priori bond lengths calculated for many ion configurations in a single structure-type leads to a high correlation between a priori and observed mean bond lengths, but a priori bond lengths calculated for a single ion configuration in many different structure-types leads to negligible correlation between a priori and observed mean bond lengths. This indicates that structure type has a major effect on mean bond length, the magnitude of which goes beyond that of the other variables analyzed here.
Pi Bond Orders and Bond Lengths
ERIC Educational Resources Information Center
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)
Metal-metal bond lengths in complexes of transition metals.
Pauling, L
1976-12-01
In complexes of the transition metals containing clusters of metal atoms the cobalt-cobalt bond lengths are almost always within 1 pm of the single-bond value 246 pm given by the enneacovalent radius of cobalt, whereas most of the observed iron-iron bond lengths are significantly larger than the single-bond value 248 pm, the mean being 264 pm, which corresponds to a half-bond. A simple discussion of the structures of these complexes based on spd hybrid orbitals, the electroneutrality principle, and the partial ionic character of bonds between unlike atoms leads to the conclusion that resonance between single bonds and no-bonds would occur for iron and its congeners but not for cobalt and its congeners, explaining the difference in the bond lengths.
Metal-metal bond lengths in complexes of transition metals*
Pauling, Linus
1976-01-01
In complexes of the transition metals containing clusters of metal atoms the cobalt-cobalt bond lengths are almost always within 1 pm of the single-bond value 246 pm given by the enneacovalent radius of cobalt, whereas most of the observed iron-iron bond lengths are significantly larger than the single-bond value 248 pm, the mean being 264 pm, which corresponds to a half-bond. A simple discussion of the structures of these complexes based on spd hybrid orbitals, the electroneutrality principle, and the partial ionic character of bonds between unlike atoms leads to the conclusion that resonance between single bonds and no-bonds would occur for iron and its congeners but not for cobalt and its congeners, explaining the difference in the bond lengths. PMID:16592368
Pauling bond strength, bond length and electron density distribution
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.
2014-01-18
A power law regression equation, = 1.46(/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, , between bonded metal M and oxygen atoms, determined at ambient conditions for oxide crystals, where r is the row number of the M atom, is similar to the regression equation R(M-O) = 1.39(ρ(rc)/r)-0.21 determined for three perovskite crystals for pressures as high as 80 GPa. The two equations are also comparable with those, = 1.43( /r)-0.21, determined for a large number of oxide crystals at ambient conditions and = 1.39(/r)-0.22, determined formore » geometry optimized hydroxyacid molecules, that connect the bond lengths to the average Pauling electrostatic bond strength, , for the M-O bonded interactions. On the basis of the correspondence between the two sets of equations connecting ρ(rc) and the Pauling bond strength s with bond length, it appears that Pauling’s simple definition of bond strength closely mimics the accumulation of the electron density between bonded pairs of atoms. The similarity of the expressions for the crystals and molecules is compelling evidence that the M-O bonded interactions for the crystals and molecules 2 containing the same bonded interactions are comparable. Similar expressions, connecting bond lengths and bond strength, have also been found to hold for fluoride, nitride and sulfide molecules and crystals. The Brown-Shannon bond valence, σ, power law expression σ = [R1/(R(M-O)]N that has found wide use in crystal chemistry, is shown to be connected to a more universal expression determined for oxides and the perovskites, = r[(1.41)/]4.76, demonstrating that the bond valence for a bonded interaction is likewise closely connected to the accumulation of the electron density between the bonded atoms. Unlike the Brown-Shannon expression, it is universal in that it holds for the M-O bonded interactions for a relatively wide range of M atoms of the
Electronegativity effects and single covalent bond lengths of molecules in the gas phase.
Lang, Peter F; Smith, Barry C
2014-06-07
This paper discusses in detail the calculation of internuclear distances of heteronuclear single bond covalent molecules in the gaseous state. It reviews briefly the effect of electronegativity in covalent bond length. A set of single bond covalent radii and electronegativity values are proposed. Covalent bond lengths calculated by an adapted form of a simple expression (which calculated internuclear separation of different Group 1 and Group 2 crystalline salts to a remarkable degree of accuracy) show very good agreement with observed values. A small number of bond lengths with double bonds as well as bond lengths in the crystalline state are calculated using the same expression and when compared with observed values also give good agreement. This work shows that covalent radii are not additive and that radii in the crystalline state are different from those in the gaseous state. The results also show that electronegativity is a major influence on covalent bond lengths and the set of electronegativity scale and covalent radii proposed in this work can be used to calculate covalent bond lengths in different environments that have not yet been experimentally measured.
Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.
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
NASA Astrophysics Data System (ADS)
Wang, Weizhou; Zhang, Yu; Ji, Baoming; Tian, Anmin
2011-06-01
The C-Hal (Hal = Cl, Br, or I) bond-length change and the corresponding vibrational frequency shift of the C-Hal stretch upon the C-Hal ⋯Y (Y is the electron donor) halogen bond formation have been determined by using density functional theory computations. Plots of the C-Hal bond-length change versus the corresponding vibrational frequency shift of the C-Hal stretch all give straight lines. The coefficients of determination range from 0.94366 to 0.99219, showing that the correlation between the C-Hal bond-length change and the corresponding frequency shift is very good in the halogen-bonded complexes. The possible effects of vibrational coupling, computational method, and anharmonicity on the bond-length change-frequency shift correlation are discussed in detail.
Extreme oxatriquinanes and a record C-O bond length
NASA Astrophysics Data System (ADS)
Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L.; Olmstead, Marilyn M.; Stoyanova, Irini V.; Tham, Fook S.; Meyer, Matthew P.; Mascal, Mark
2012-12-01
Oxatriquinanes are fused, tricyclic oxonium ions that are known to have exceptional stability compared to simple alkyl oxonium salts. C-O bonds in ethers are generally ˜1.43 Å in length, but oxatriquinane has been found to have C-O bond lengths of 1.54 Å. A search of the Cambridge Structural Database turned up no bona fide C-O bond length exceeding this value. Computational modelling of oxatriquinane alongside other alkyl oxonium ions indicated that the electronic consequences of molecular strain were primarily responsible for the observed bond elongation. We also show that substitution of the oxatriquinane ring system with alkyl groups of increasing steric demand pushes the C-O bond to unheard of distances, culminating in a tert-butyl derivative at a predicted 1.60 Å. Chemical synthesis and an X-ray crystallographic study of these compounds validated the results of the modelling work and, finally, an extraordinary 1.622 Å C-O bond was observed in 1,4,7-tri-tert-butyloxatriquinane.
Origin of the X-Hal (Hal = Cl, Br) bond-length change in the halogen-bonded complexes.
Wang, Weizhou; Hobza, Pavel
2008-05-01
The origin of the X-Hal bond-length change in the halogen bond of the X-Hal...Y type has been investigated at the MP2(full)/6-311++G(d,p) level of theory using a natural bond orbital analysis, atoms in molecules procedure, and electrostatic potential fitting methods. Our results have clearly shown that various theories explaining the nature of the hydrogen bond cannot be applied to explain the origin of the X-Hal bond-length change in the halogen bond. We provide a new explanation for this change. The elongation of the X-Hal bond length is caused by the electron-density transfer to the X-Hal sigma* antibonding orbital. For the blue-shifting halogen bond, the electron-density transfer to the X-Hal sigma* antibonding orbital is only of minor importance; it is the electrostatic attractive interaction that causes the X-Hal bond contraction.
NASA Astrophysics Data System (ADS)
McDowell, Sean A. C.
2017-04-01
An MP2 computational study of model hydrogen-bonded pyrrole⋯YZ (YZ = NH3, NCH, BF, CO, N2, OC, FB) complexes was undertaken in order to examine the variation of the Nsbnd H bond length change and its associated vibrational frequency shift. The chemical hardness of Y, as well as the YZ dipole moment, were found to be important parameters in modifying the bond length change/frequency shift. The basis set effect on the computed properties was also assessed. A perturbative model, which accurately reproduced the ab initio Nsbnd H bond length changes and frequency shifts, was useful in rationalizing the observed trends.
NASA Astrophysics Data System (ADS)
Billinghurst, Brant E.; Gough, Kathleen M.
2003-03-01
The first through third overtone spectra of ferrocene, ruthenocene, nickelocene, cobaltocene, dicyclopentadienyl magnesium and sodium cyclopentadienyl are examined with particular attention to the CH stretching of the cyclopentadienyl. Using semi-empirical correlations between CH bond length and CH stretching frequencies in each overtone region, we have determined that the type of metal atom within a metallocene complex has little effect on the CH bond length in the cyclopentadienyl. The only exception is cobaltocene where there is evidence that the Jahn-Teller effect results in several different CH bond lengths. Evidence that bis(cyclopentadienyl) magnesium is not ionic has been observed.
NASA Astrophysics Data System (ADS)
Lieou, Charles K. C.; Elbanna, Ahmed E.; Carlson, Jean M.
2013-03-01
Sacrificial bonds and hidden length in structural molecules account for the greatly increased fracture toughness of biological materials compared to synthetic materials without such structural features, by providing a molecular-scale mechanism of energy dissipation. One example of occurrence of sacrificial bonds and hidden length is in the polymeric glue connection between collagen fibrils in animal bone. In this talk, we propose a simple kinetic model that describes the breakage of sacrificial bonds and the revelation of hidden length, based on Bell's theory. We postulate a master equation governing the rates of bond breakage and formation, at the mean-field level, allowing for the number of bonds and hidden lengths to take up non-integer values between successive, discrete bond-breakage events. This enables us to predict the mechanical behavior of a quasi-one-dimensional ensemble of polymers at different stretching rates. We find that both the rupture peak heights and maximum stretching distance increase with the stretching rate. In addition, our theory naturally permits the possibility of self-healing in such biological structures.
Zhou, Han; Li, Fang; Weir, Michael D.; Xu, Hockin H.K.
2013-01-01
Objectives Antibacterial bonding agents are promising to combat bacteria and caries at tooth-restoration margins. The objectives of this study were to incorporate new quaternary ammonium methacrylates (QAMs) to bonding agent and determine the effects of alkyl chain length (CL) and quaternary amine charge density on dental plaque microcosm bacteria response for the first time. Methods Six QAMs were synthesized with CL = 3, 6, 9, 12, 16, 18. Each QAM was incorporated into Scotchbond Multi-purpose (SBMP). To determine the charge density effect, dimethylaminododecyl methacrylate (DMAHDM, CL = 16) was mixed into SBMP at mass fraction = 0%, 2.5%, 5%, 7.5%, 10%. Charge density was measured using a fluorescein dye method. Dental plaque microcosm using saliva from ten donors was tested. Bacteria were inoculated on resins. Early-attachment was tested at 4 hours. Biofilm colony-forming units (CFU) were measured at 2 days. Results Incorporating QAMs into SBMP reduced bacteria early-attachment. Microcosm biofilm CFU for CL = 16 was 4 log lower than SBMP control. Charge density of bonding agent increased with DMAHDM content. Bacteria early-attachment decreased with increasing charge density. Biofilm CFU at 10% DMAHDM was reduced by 4 log. The killing effect was similarly-strong against total microorganisms, total streptococci, and mutans streptococci. Conclusions Increasing alkyl chain length and charge density of bonding agent was shown for the first time to decrease microcosm bacteria attachment and reduce biofilm CFU by 4 orders of magnitude. Novel antibacterial resins with tailored chain length and charge density are promising for wide applications in bonding, cements, sealants and composites to inhibit biofilms and caries. PMID:23948394
Zhou, Han; Li, Fang; Weir, Michael D; Xu, Hockin H K
2013-11-01
Antibacterial bonding agents are promising to combat bacteria and caries at tooth-restoration margins. The objectives of this study were to incorporate new quaternary ammonium methacrylates (QAMs) to bonding agent and determine the effects of alkyl chain length (CL) and quaternary amine charge density on dental plaque microcosm bacteria response for the first time. Six QAMs were synthesized with CL=3, 6, 9, 12, 16, 18. Each QAM was incorporated into Scotchbond multi-purpose (SBMP). To determine the charge density effect, dimethylaminododecyl methacrylate (DMAHDM, CL=16) was mixed into SBMP at mass fraction=0%, 2.5%, 5%, 7.5%, 10%. Charge density was measured using a fluorescein dye method. Dental plaque microcosm using saliva from ten donors was tested. Bacteria were inoculated on resins. Early-attachment was tested at 4h. Biofilm colony-forming units (CFU) were measured at 2 days. Incorporating QAMs into SBMP reduced bacteria early-attachment. Microcosm biofilm CFU for CL=16 was 4 log lower than SBMP control. Charge density of bonding agent increased with DMAHDM content. Bacteria early-attachment decreased with increasing charge density. Biofilm CFU at 10% DMAHDM was reduced by 4 log. The killing effect was similarly-strong against total microorganisms, total streptococci, and mutans streptococci. Increasing alkyl chain length and charge density of bonding agent was shown for the first time to decrease microcosm bacteria attachment and reduce biofilm CFU by 4 orders of magnitude. Novel antibacterial resins with tailored chain length and charge density are promising for wide applications in bonding, cements, sealants and composites to inhibit biofilms and caries. Copyright © 2013 Elsevier Ltd. All rights reserved.
Gagné, Olivier Charles
2018-01-01
Bond-length distributions are examined for three configurations of the H+ ion, 16 configurations of the group 14–16 non-metal ions and seven configurations of the group 17 ions bonded to oxygen, for 223 coordination polyhedra and 452 bond distances for the H+ ion, 5957 coordination polyhedra and 22 784 bond distances for the group 14–16 non-metal ions, and 248 coordination polyhedra and 1394 bond distances for the group 17 non-metal ions. H⋯O and O—H + H⋯O distances correlate with O⋯O distance (R 2 = 0.94 and 0.96): H⋯O = 1.273 × O⋯O – 1.717 Å; O—H + H⋯O = 1.068 × O⋯O – 0.170 Å. These equations may be used to locate the hydrogen atom more accurately in a structure refined by X-ray diffraction. For non-metal elements that occur with lone-pair electrons, the most observed state between the n versus n+2 oxidation state is that of highest oxidation state for period 3 cations, and lowest oxidation state for period 4 and 5 cations when bonded to O2−. Observed O—X—O bond angles indicate that the period 3 non-metal ions P3+, S4+, Cl3+ and Cl5+ are lone-pair seteroactive when bonded to O2−, even though they do not form secondary bonds. There is no strong correlation between the degree of lone-pair stereoactivity and coordination number when including secondary bonds. There is no correlation between lone-pair stereoactivity and bond-valence sum at the central cation. In synthetic compounds, PO4 polymerizes via one or two bridging oxygen atoms, but not by three. Partitioning our PO4 dataset shows that multi-modality in the distribution of bond lengths is caused by the different bond-valence constraints that arise for Obr = 0, 1 and 2. For strongly bonded cations, i.e. oxyanions, the most probable cause of mean bond length variation is the effect of structure type, i.e. stress induced by the inability of a structure to follow its a priori bond lengths. For ions with stereoactive lone-pair electrons, the most probable cause of
NASA Astrophysics Data System (ADS)
Larsson, J. A.; Cremer, D.
1999-08-01
Vibrational spectra contain explicit information on the electronic structure and the bonding situation of a molecule, which can be obtained by transforming the vibrational normal modes of a molecule into appropriate internal coordinate modes, which are localized in a fragment of the molecule and which are associated to that internal coordinate that describes the molecular fragment in question. It is shown that the adiabatic internal modes derived recently (Int. J. Quant. Chem., 67 (1998) 1) are the theoretical counterparts of McKean's isolated CH stretching modes (Chem. Soc. Rev., 7 (1978) 399). Adiabatic CH stretching frequencies obtained from experimental vibrational spectra can be used to determine CH bond lengths with high accuracy. Contrary to the concept of isolated stretching frequencies a generalization to any bond of a molecule is possible as is demonstrated for the CC stretching frequencies. While normal mode frequencies do not provide a basis to determine CC bond lengths and CC bond strengths, this is possible with the help of the adiabatic CC stretching frequencies. Measured vibrational spectra are used to describe different types of CC bonds in a quantitative way. For CH bonds, it is also shown that adiabatic stretching frequency leads to the definition of an ideal dissociation energy, which contrary to the experimentally determined dissociation energy is a direct measure of the bond strength. The difference between measured and ideal dissociation energies gives information on stabilization or destabilization of the radicals formed in a dissociation process.
Pauling, L
1984-03-01
Enneacovalence of neutral atoms can be achieved for Co, Rh, and Ir by promoting some electrons from the nd orbital to the (n + 1)s and (n + 1)p orbitals and for Fe, Ru, and Os by a similar promotion together with the addition of an electron, which may be provided by an electron pair from a singly bonded carbonyl group or other group. The bond lengths and bond angles are predicted by the theory of enneacovalence to be significantly different for the different transition metals. Recently reported experimental values are shown to be in good agreement with the predicted values, providing support for the theory of enneacovalence and the theory of hybrid sp(3)d(5) bond orbitals.
NASA Astrophysics Data System (ADS)
Lindsay, Michael; Buszek, Robert; Boatz, Jerry; Fajardo, Mario
2017-06-01
This is the second in a series of papers aimed at exploring the fundamental limitations to chemical energy storage. In the previous work, we summarized the lessons learned in various high energy density materials (HEDM) programs, the different degrees of freedom in which to store energy in materials, and the fundamental limitations and orders of magnitude of the energies involved.1 That discussion focused almost exclusively on the topic of molar energy density (J/mol) from the perspective of the energy of oxidation of the elements and Fritz Zwicky's ``free atom limit.''2 In this talk, we extend the analysis by considering a different, though equally important, aspect of the energy density calculation: the volumetric density of the energetic material. Specifically, we examine how the distances between individual atoms (i.e. intra- and inter-molecular bond lengths) are coupled to (in fact, approximately inversely proportional to) the energy stored in the bonds of the molecule. This relationship further limits the chemical energy that theoretically can be stored in a material below that predicted by the ``free atom limit.'' This talk will give specific examples of the trends with different bonding motifs and the implications to the fundamental limitations of chemical energy storage.
Pauling, Linus
1984-01-01
Enneacovalence of neutral atoms can be achieved for Co, Rh, and Ir by promoting some electrons from the nd orbital to the (n + 1)s and (n + 1)p orbitals and for Fe, Ru, and Os by a similar promotion together with the addition of an electron, which may be provided by an electron pair from a singly bonded carbonyl group or other group. The bond lengths and bond angles are predicted by the theory of enneacovalence to be significantly different for the different transition metals. Recently reported experimental values are shown to be in good agreement with the predicted values, providing support for the theory of enneacovalence and the theory of hybrid sp3d5 bond orbitals. PMID:16593439
NASA Astrophysics Data System (ADS)
Kadioglu, F.; Avil, E.; Ercan, M. E.; Aydogan, T.
2018-05-01
Fiber-reinforced polymer composites are being used in an increasingly wide range of products. They are particularly popular in automotive and aerospace sectors because they offer an attractive combination of stiffness, strength and low mass. Adhesively-bonded joints of such materials are preferred by many designers due to their assembling advantages over other traditional mechanical joining systems, such as bolted and riveted joints. In this study, some experimental works have been carried out on adhesively-bonded adherends manufactured from a woven carbon fiber-reinforced polymer matrix composite (Hexply 8552S/A280-5H, produced by Hexcel), by using a film adhesive (AF163-2K produced by 3 M). The bonded specimens were prepared in the Single Lap Joint (SLJ) configuration, and tested in tensile and also in four-point bending loading. In order to assess the joint performance, three different overlap lengths, 15 mm, 25 mm and 40 mm, and two different thicknesses of the composite adherends, 2 mm and 3 mm, were used. The results shown that the parameters are controlled by the loading modes; while the overlap length increases the joint performance significantly in tensile loading, the opposite was the case for those in bending loading, which was affected mainly by the adherend thicknesses. The results were related to the mechanisms of joint failures; while the joints in the tensile failed in the adhesive layer with some exceptions, those in the bending mainly failed in the plies adjacent to the layer. The current study indicates that one of the important factors affecting the joint strength of the adherends manufactured from the laminated composites is the local failure of the plies. It is thought more focused-studies would be needed to lessen such problems, which would be possible via in-depth numerical analysis.
Bond length variation in Zn substituted NiO studied from extended X-ray absorption fine structure
NASA Astrophysics Data System (ADS)
Singh, S. D.; Poswal, A. K.; Kamal, C.; Rajput, Parasmani; Chakrabarti, Aparna; Jha, S. N.; Ganguli, Tapas
2017-06-01
Bond length behavior for Zn substituted NiO is determined through extended x-ray absorption fine structure (EXAFS) measurements performed at ambient conditions. We report bond length value of 2.11±0.01 Å for Zn-O of rock salt (RS) symmetry, when Zn is doped in RS NiO. Bond length for Zn substituted NiO RS ternary solid solutions shows relaxed behavior for Zn-O bond, while it shows un-relaxed behavior for Ni-O bond. These observations are further supported by first-principles calculations. It is also inferred that Zn sublattice remains nearly unchanged with increase in lattice parameter. On the other hand, Ni sublattice dilates for Zn compositions up to 20% to accommodate increase in the lattice parameter. However, for Zn compositions more than 20%, it does not further dilate. It has been attributed to the large disorder that is incorporated in the system at and beyond 20% of Zn incorporation in the cubic RS lattice of ternary solid solutions. For these large percentages of Zn incorporation, the Ni and the Zn atoms re-arrange themselves microscopically about the same nominal bond length rather than systematically increase in magnitude to minimize the energy of the system. This results in an increase in the Debye-Waller factor with increase in the Zn concentration rather than a systematic increase in the bond lengths.
How Is the Enamel Affected by Different Orthodontic Bonding Agents and Polishing Techniques?
Heravi, Farzin; Shafaee, Hooman; Abdollahi, Mojtaba; Rashed, Roozbeh
2015-03-01
The objective of this study was to assess the effect of new bonding techniques on enamel surface. Sixty upper central incisors were randomly divided into two equal groups. In the first group, metal brackets were bonded using TransbondXT and, in the second group, the same brackets were bonded with Maxcem Elite. The shear bond strength (SBS) of both agents to enamel was measured and the number and length of enamel cracks before bonding, after debonding and after polishing were compared. The number of visible cracks and the adhesive remnant index (ARI) scores in each group were also measured. There were significantly more enamel cracks in the Transbond XT group after debonding and polishing compared to the Maxcem Elite group. There was no significant difference in the length of enamel cracks between the two groups; but, in each group, a significant increase in the length of enamel cracks was noticeable after debonding. Polishing did not cause any statistically significant change in crack length. The SBS of Maxcem Elite was significantly lower than that of Transbond XT (95% confidence interval). Maxcem Elite offers clinically acceptable bond strength and can thus be used as a routine adhesive for orthodontic purposes since it is less likely to damage the enamel.
NASA Astrophysics Data System (ADS)
Lieou, Charles K. C.; Elbanna, Ahmed E.; Carlson, Jean M.
2013-07-01
Sacrificial bonds and hidden length in structural molecules account for the greatly increased fracture toughness of biological materials compared to synthetic materials without such structural features by providing a molecular-scale mechanism for energy dissipation. One example is in the polymeric glue connection between collagen fibrils in animal bone. In this paper we propose a simple kinetic model that describes the breakage of sacrificial bonds and the release of hidden length, based on Bell's theory. We postulate a master equation governing the rates of bond breakage and formation. This enables us to predict the mechanical behavior of a quasi-one-dimensional ensemble of polymers at different stretching rates. We find that both the rupture peak heights and maximum stretching distance increase with the stretching rate. In addition, our theory naturally permits the possibility of self-healing in such biological structures.
pKa prediction from an ab initio bond length: part 3--benzoic acids and anilines.
Harding, A P; Popelier, P L A
2011-06-21
The prediction of pK(a) from a single ab initio bond length has been extended to provide equations for benzoic acids and anilines. The HF/6-31G(d) level of theory is used for all geometry optimisations. Similarly to phenols (Part 2 of this series of publications), the meta-/para-substituted benzoic acids can be predicted from a single model constructed from one bond length. This model had an impressive RMSEP of 0.13 pK(a) units. The prediction of ortho-substituted benzoic acids required the identification of high-correlation subsets, where the compounds in the same subset have at least one of the same (e.g. halogens, hydroxy) ortho substituent. Two pK(a) equations are provided for o-halogen benzoic acids and o-hydroxybenzoic acids, where the RMSEP values are 0.19 and 0.15 pK(a) units, respectively. Interestingly, the bond length that provided the best model differed between these two high-correlation subsets. This demonstrates the importance of investigating the most predictive bond length, which is not necessarily the bond involving the acid hydrogen. Three high-correlation subsets were identified for the ortho-substituted anilines. These were o-halogen, o-nitro and o-alkyl-substituted aniline high-correlation subsets, where the RMSEP ranged from 0.23 to 0.44 pK(a) units. The RMSEP for the meta-/para-substituted aniline model was 0.54 pK(a) units. This value exceeded our threshold of 0.50 pK(a) units and was higher than both the m-/p-benzoic acids in this work and the m-/p-phenols (RMSEP = 0.43) of Part 2. Constructing two separate models for the meta- and para- substituted anilines, where RMSEP values of 0.63 and 0.33 pK(a) units were obtained respectively, revealed it was the meta-substituted anilines that caused the large RMSEP value. For unknown reasons the RMSEP value increased with the addition of a further twenty meta-substituted anilines to this model. The C-N bond always produced the best correlations with pK(a) for all the high-correlation subsets. A
Driving force for hydrophobic interaction at different length scales.
Zangi, Ronen
2011-03-17
We study by molecular dynamics simulations the driving force for the hydrophobic interaction between graphene sheets of different sizes down to the atomic scale. Similar to the prediction by Lum, Chandler, and Weeks for hard-sphere solvation [J. Phys. Chem. B 1999, 103, 4570-4577], we find the driving force to be length-scale dependent, despite the fact that our model systems do not exhibit dewetting. For small hydrophobic solutes, the association is purely entropic, while enthalpy favors dissociation. The latter is demonstrated to arise from the enhancement of hydrogen bonding between the water molecules around small hydrophobes. On the other hand, the attraction between large graphene sheets is dominated by enthalpy which mainly originates from direct solute-solute interactions. The crossover length is found to be inside the range of 0.3-1.5 nm(2) of the surface area of the hydrophobe that is eliminated in the association process. In the large-scale regime, different thermodynamic properties are scalable with this change of surface area. In particular, upon dimerization, a total and a water-induced stabilization of approximately 65 and 12 kJ/mol/nm(2) are obtained, respectively, and on average around one hydrogen bond is gained per 1 nm(2) of graphene sheet association. Furthermore, the potential of mean force between the sheets is also scalable except for interplate distances smaller than 0.64 nm which corresponds to the region around the barrier for removing the last layer of water. It turns out that, as the surface area increases, the relative height of the barrier for association decreases and the range of attraction increases. It is also shown that, around small hydrophobic solutes, the lifetime of the hydrogen bonds is longer than in the bulk, while around large hydrophobes it is the same. Nevertheless, the rearrangement of the hydrogen-bond network for both length-scale regimes is slower than in bulk water. © 2011 American Chemical Society
Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner
2018-06-12
Hydroalumination of R-P(H)-C[triple bond, length as m-dash]C-tBu with bulky H-Al[CH(SiMe3)2]2 afforded the new P-H functionalized Al/P-based frustrated Lewis pair R-P(H)-C[[double bond, length as m-dash]C(H)-tBu]-AlR2 [R = CH(SiMe3)2; FLP 7]. A weak adduct of 7 with benzonitrile (8) was detected by NMR spectroscopy, but could not be isolated. tert-Butyl isocyanide afforded a similar, but isolable adduct (9), in which the isocyanide C atom was coordinated to aluminium. The unique reactivity of 7 became evident from its reactions with the heteroatom substituted nitriles PhO-C[triple bond, length as m-dash]N, PhCH2S-C[triple bond, length as m-dash]N and H8C4N-C[triple bond, length as m-dash]N. Hydrophosphination of the C[triple bond, length as m-dash]N triple bonds afforded imines at room temperature which were coordinated to the FLP by Al-N and P-C bonds to yield AlCPCN heterocycles (10 to 12). These processes depend on substrate activation by the FLP. Diphenylcyclopropenone and its sulphur derivative reacted with 7 by addition of the P-H bond to a C-C bond of the strained C3 ring and ring opening to afford the fragment (Z)-Ph-C(H)[double bond, length as m-dash]C(Ph)-C-X-Al (X = O, S). The C-O or C-S groups were coordinated to the FLP to yield AlCPCX heterocycles (13 and 14). The thiocarbonyl derived compound 14 contains an internally stabilized phosphenium cation with a localized P[double bond, length as m-dash]C bond, a trigonal planar coordinated P atom and a short P[double bond, length as m-dash]C distance (168.9 pm). Insight into formation mechanisms, the structural and energetic properties of FLP 7 and compounds 13 and 14 was gained by quantum chemical DFT calculations.
Del Bene, Janet E; Alkorta, Ibon; Elguero, José
2015-11-11
Ab initio MP2/aug'-cc-pVTZ calculations have been carried out to investigate the properties of complexes formed between H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H, and the possible bridging molecules HN[double bond, length as m-dash]NH, FN[double bond, length as m-dash]NH, and HN[double bond, length as m-dash]CHOH. H2XP:HNNH and H2XP:FNNH complexes are stabilized by PN pnicogen bonds, except for H2(CH3)P:FNNH and H3P:FNNH which are stabilized by N-HP hydrogen bonds. H2XP:HNCHOH complexes are stabilized by PN pnicogen bonds and nonlinear O-HP hydrogen bonds. For a fixed H2XP molecule, binding energies decrease in the order HNCHOH > HNNH > FNNH, except for the binding energies of H2(CH3)P and H3P with HNNH and FNNH. Binding energies of complexes with HNCHOH and HNNH increase as the P-N1 distance decreases, but binding energies of complexes with FNNH show little dependence on this distance. The large binding energies of H2XP:HNCHOH complexes arise from a cooperative effect involving electron-pair acceptance by P to form a pnicogen bond, and electron-pair donation by P to form a hydrogen bond. The dominant charge-transfer interaction in these complexes involves electron-pair donation by N across the pnicogen bond, except for complexes in which X is one of the more electropositive substituents, CCH, CH3, and H. For these, lone-pair donation by P across the hydrogen bond dominates. AIM and NBO data for these complexes are consistent with their bonding characteristics, showing molecular graphs with bond critical points and charge-transfer interactions associated with hydrogen and pnicogen bonds. EOM-CCSD spin-spin coupling constants (1p)J(P-N) across the pnicogen bond for each series of complexes correlate with the P-N distance. In contrast, (2h)J(O-P) values for complexes H2XP:HNCHOH do not correlate with the O-P distance, a consequence of the nonlinearity of these hydrogen bonds.
Bond Length Dependence on Quantum States as Shown by Spectroscopy
ERIC Educational Resources Information Center
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…
Bent Bonds and Multiple Bonds.
ERIC Educational Resources Information Center
Robinson, Edward A.; Gillespie, Ronald J.
1980-01-01
Considers carbon-carbon multiple bonds in terms of Pauling's bent bond model, which allows direct calculation of double and triple bonds from the length of a CC single bond. Lengths of these multiple bonds are estimated from direct measurements on "bent-bond" models constructed of plastic tubing and standard kits. (CS)
Ding, San-Yuan; Cui, Xiao-Hui; Feng, Jie; Lu, Gongxuan; Wang, Wei
2017-10-31
We reported herein a facile approach for the synthesis of -C[double bond, length as m-dash]N- linked covalent organic frameworks under ambient conditions. Three known (COF-42, COF-43, and COF-LZU1) and one new (Pr-COF-42) COF materials were successfully synthesized using this method. Furthermore, this simple synthetic approach makes the large-scale synthesis of -C[double bond, length as m-dash]N- linked COFs feasible.
Nanoscopic length scale dependence of hydrogen bonded molecular associates’ dynamics in methanol
Bertrand, C. E.; Self, J. L.; Copley, J. R. D.; Faraone, A.
2017-01-01
In a recent paper [C. E. Bertrand et al., J. Chem. Phys. 145, 014502 (2016)], we have shown that the collective dynamics of methanol shows a fast relaxation process related to the standard density-fluctuation heat mode and a slow non-Fickian mode originating from the hydrogen bonded molecular associates. Here we report on the length scale dependence of this slow relaxation process. Using quasielastic neutron scattering and molecular dynamics simulations, we show that the dynamics of the slow process is affected by the structuring of the associates, which is accessible through polarized neutron diffraction experiments. Using a series of partially deuterated samples, the dynamics of the associates is investigated and is found to have a similar time scale to the lifetime of hydrogen bonding in the system. Both the structural relaxation and the dynamics of the associates are thermally activated by the breaking of hydrogen bonding. PMID:28527447
NASA Astrophysics Data System (ADS)
Kajiyama, Hiroshi; Muramatsu, Shin-Ichi; Shimada, Toshikazu; Nishino, Yoichi
1992-06-01
Extended x-ray-absorption fine-structure spectra for crystalline Si1-xGex alloys, measured at the K edge of Ge at room temperature, are analyzed with a curve-fitting method based on the spherical-wave approximation. The Ge-Ge and Ge-Si bond lengths, coordination numbers of Ge and Si atoms around a Ge atom, and Debye-Waller factors of Ge and Si atoms are obtained. It is shown that Ge-Ge and Ge-Si bonds relax completely, for all Ge concentrations of their study, while the lattice constant varies monotonically, following Vegard's law. As noted by Bragg and later by Pauling and Huggins, the Ge-Ge and Ge-Si bond lengths are close to the sum of their constituent-element atomic radii: nearly 2.45 Å for Ge-Ge bonds and 2.40 Å for Ge-Si bonds. A study on the coordination around a Ge atom in the alloys revealed that Ge and Si atoms mix randomly throughout the compositional range studied.
Influence of chain length and double bond on the aqueous behavior of choline carboxylate soaps.
Rengstl, Doris; Diat, Olivier; Klein, Regina; Kunz, Werner
2013-02-26
In preceding studies, we demonstrated that choline carboxylates ChC(m) with alkyl chain lengths of m = 12 - 18 are highly water-soluble (for m = 12, soluble up to 93 wt % soap and 0 °C). In addition, choline soaps are featured by an extraordinary lyotropic phase behavior. With decreasing water concentration, the following phases were found: micellar phase (L(1)), discontinuous cubic phase (I(1)' and I(1)"), hexagonal phase (H(1)), bicontinuous cubic phase (V(1)), and lamellar phase (L(α)). The present work is also focused on the lyotropic phase behavior of choline soaps but with shorter alkyl chains or different alkyl chain properties. We have investigated the aqueous phase behavior of choline soaps with C(8) and C(10) chain-lengths (choline octanoate and choline decanoate) and with a C(18) chain-length with a cis-double bond (choline oleate). We found that choline decanoate follows the lyotropic phase behavior of the longer-chain homologues mentioned above. Choline octanoate in water shows no discontinuous cubic phases, but an extended, isotropic micellar solution phase. In addition, choline octanoate is at the limit between a surfactant and a hydrotrope. The double bond in choline oleate leads also to a better solubility in water and a decrease of the solubilization temperature. It also influences the Gaussian curvature of the aggregates which results in a loss of discontinuous cubic phases in the binary phase diagram. The different lyotropic mesophases were identified by the penetration scan technique with polarizing light microscope and visual observations. To clarify the structural behavior small (SAXS) and wide (WAXS) angle X-ray scattering were performed. To further characterize the extended, isotropic micellar solution phase in the binary phase diagram of choline octanoate viscosity and conductivity measurements were also carried out.
NASA Astrophysics Data System (ADS)
Mishra, A.; Vibhute, V.; Ninama, S.; Parsai, N.; Jha, S. N.; Sharma, P.
2016-10-01
X-ray absorption fine structure (XAFS) at the K-edge of copper has been studied in some copper (II) complexes with substituted anilines like (2Cl, 4Br, 2NO2, 4NO2 and pure aniline) with o-PDA (orthophenylenediamine) as ligand. The X-ray absorption measurements have been performed at the recently developed BL-8 dispersive EXAFS beam line at 2.5 GeV Indus-2 Synchrotron Source at RRCAT, Indore, India. The data obtained has been processed using EXAFS data analysis program Athena.The graphical method gives the useful information about bond length and also the environment of the absorbing atom. The theoretical bond lengths of the complexes were calculated by using interactive fitting of EXAFS using fast Fourier inverse transformation (IFEFFIT) method. This method is also called as Fourier transform method. The Lytle, Sayers and Stern method and Levy's method have been used for determination of bond lengths experimentally of the studied complexes. The results of both methods have been compared with theoretical IFEFFIT method.
Bonding properties and bond activation of ylides: recent findings and outlook.
Urriolabeitia, Esteban P
2008-11-14
The interaction of phosphorus and nitrogen ylides with metallic precursors has been examined from different points of view. The first one is related to the bonding properties of the ylides. Ylides with a unique stabilizing group bond through different atoms (the Calpha or the heteroatoms); while ylides with two stabilizing groups never coordinate through the Calpha atom. In the second section we examine the cause of the stereoselective coordination of bisylides of phosphorus, nitrogen and arsenic, and of mixed bisylides. We describe here the very interesting conformational preferences found in these systems, which have been determined and characterized. The DFT study of these bisylides has allowed for the characterization of strong intramolecular PO and AsO interactions, as well as moderate CHO[double bond, length as m-dash]C hydrogen bonds as the source of these conformational preferences. The third topic is related to the amazing reactivity of phosphorus ylides in bond activation processes. Depending on the nature of the metallic precursors, ylides can behave as sources of carbenes, of phosphine derivatives, of other ylides or of orthometallated complexes through P[double bond, length as m-dash]C, P-C or C-H bond activation reactions.
Performance of quantum Monte Carlo for calculating molecular bond lengths
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cleland, Deidre M., E-mail: deidre.cleland@csiro.au; Per, Manolo C., E-mail: manolo.per@csiro.au
2016-03-28
This work investigates the accuracy of real-space quantum Monte Carlo (QMC) methods for calculating molecular geometries. We present the equilibrium bond lengths of a test set of 30 diatomic molecules calculated using variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) methods. The effect of different trial wavefunctions is investigated using single determinants constructed from Hartree-Fock (HF) and Density Functional Theory (DFT) orbitals with LDA, PBE, and B3LYP functionals, as well as small multi-configurational self-consistent field (MCSCF) multi-determinant expansions. When compared to experimental geometries, all DMC methods exhibit smaller mean-absolute deviations (MADs) than those given by HF, DFT, and MCSCF.more » The most accurate MAD of 3 ± 2 × 10{sup −3} Å is achieved using DMC with a small multi-determinant expansion. However, the more computationally efficient multi-determinant VMC method has a similar MAD of only 4.0 ± 0.9 × 10{sup −3} Å, suggesting that QMC forces calculated from the relatively simple VMC algorithm may often be sufficient for accurate molecular geometries.« less
Non-destructive testing of full-length bonded rock bolts based on HHT signal analysis
NASA Astrophysics Data System (ADS)
Shi, Z. M.; Liu, L.; Peng, M.; Liu, C. C.; Tao, F. J.; Liu, C. S.
2018-04-01
Full-length bonded rock bolts are commonly used in mining, tunneling and slope engineering because of their simple design and resistance to corrosion. However, the length of a rock bolt and grouting quality do not often meet the required design standards in practice because of the concealment and complexity of bolt construction. Non-destructive testing is preferred when testing a rock bolt's quality because of the convenience, low cost and wide detection range. In this paper, a signal analysis method for the non-destructive sound wave testing of full-length bonded rock bolts is presented, which is based on the Hilbert-Huang transform (HHT). First, we introduce the HHT analysis method to calculate the bolt length and identify defect locations based on sound wave reflection test signals, which includes decomposing the test signal via empirical mode decomposition (EMD), selecting the intrinsic mode functions (IMF) using the Pearson Correlation Index (PCI) and calculating the instantaneous phase and frequency via the Hilbert transform (HT). Second, six model tests are conducted using different grouting defects and bolt protruding lengths to verify the effectiveness of the HHT analysis method. Lastly, the influence of the bolt protruding length on the test signal, identification of multiple reflections from defects, bolt end and protruding end, and mode mixing from EMD are discussed. The HHT analysis method can identify the bolt length and grouting defect locations from signals that contain noise at multiple reflected interfaces. The reflection from the long protruding end creates an irregular test signal with many frequency peaks on the spectrum. The reflections from defects barely change the original signal because they are low energy, which cannot be adequately resolved using existing methods. The HHT analysis method can identify reflections from the long protruding end of the bolt and multiple reflections from grouting defects based on mutations in the instantaneous
Humphries, T D; Sheppard, D A; Buckley, C E
2015-06-30
For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T-deuterium bond length (T = Fe, Co, Ni) and the average electronegativity of the metal countercations. This relationship can be further employed towards aiding structural solutions and predicting physical properties of novel complex transition metal hydrides.
Push-out bond strengths of two fiber post types bonded with different dentin bonding agents.
Topcu, Fulya Toksoy; Erdemir, Ugur; Sahinkesen, Gunes; Mumcu, Emre; Yildiz, Esra; Uslan, Ibrahim
2010-05-01
The aim of this study was to evaluate the regional push-out bond strengths for two fiber-reinforced post types using three different dentin bonding agents. Sixty single-rooted extracted human first premolar teeth were sectioned below the cemento-enamel junction, and the roots were endodontically treated. Following standardized post space preparations, the roots were divided into two fiber-post groups (Glassix and Carbopost), and further divided into three subgroups of 10 specimens each for the bonding systems self-etching dentin bonding agents (Clearfil SE Bond and Optibond all-in-one), and total-etching dentin bonding agent (XP Bond). A dual-cure resin luting cement (Maxcem) was then placed in the post spaces and posts were then seated into the root canals polymerized through the cervical portion. The roots were then cut into 3-mm thick sections. Push-out tests were performed at a crosshead speed of 0.5 mm/min. The data were analyzed with multivariate ANOVA (alpha = 0.05). The morphology of interface between different dentin bonding agents from the cervical sections were analyzed with SEM. Glass fiber-reinforced posts demonstrated significantly higher push-out bond strengths than carbon fiber-reinforced posts (p < 0.001). Bond strength values decreased significantly from the cervical to the apical root canal regions (p < 0.001). Self-etching dentin adhesive Clearfil SE Bond and total-etching dentin adhesive XP Bond demonstrated similar bond strengths values and this was significantly higher compared with the Optibond all-in-one in cervical root canal region. In conclusion, in all root segments, the glass fiber-reinforced posts provided significantly increased post retention than the carbon fiber-reinforced posts, regardless of the adhesive used. (c) 2010 Wiley Periodicals, Inc.
Bond Strength and Interfacial Morphology of Different Dentin Adhesives in Primary Teeth
Vashisth, Pallavi; Mittal, Mudit; Goswami, Mousumi; Chaudhary, Seema; Dwivedi, Swati
2014-01-01
Objective: To evaluate the interfacial morphology and the bond strength produced by the three-step, two-step and single-step bonding systems in primary teeth. Materials and Methods: Occlusal surfaces of 72 extracted human deciduous teeth were ground to expose the dentin. The teeth were divided into four groups: (a) Scotchbond Multipurpose (3M, ESPE), (b) Adh Se (Vivadent), (d) OptiBond All-in-One (Kerr) and (e)Futurabond NR (VOCO, Cuxhaven, Germany). The adhesives were applied to each group following the manufacturer’s instructions. Then, teeth from each group were divided into two groups: (A) For viewing interfacial morphology (32 teeth), with 8 teeth in each group, and (B) For measurement of bond strength (40 teeth), with 10 teeth in each group. All the samples were prepared for viewing under SEM. The statistical analysis was done using SPSS version 15.0 software. Results: Observational measurement of tag length in different adhesives revealed that Scotchbond had the most widely spread values with a range from 12.20 to 89.10μm while OptiBond AIO had the narrowest range (0 to 22.50). The bond strength of Scotchbond Multipurpose was significantly higher (7.4744±1.88763) (p<0.001) as compared to Futurabond NR (3.8070±1.61345), Adhe SE (4.4478 ± 1.3820) and OptiBond-all-in-one (4.4856±1.07925). Conclusion: The three-step bonding system showed better results as compared to simplified studied bonding systems PMID:24910694
Han, Qi; Li, Bolei; Zhou, Xuedong; Ge, Yang; Wang, Suping; Li, Mingyun; Ren, Biao; Wang, Haohao; Zhang, Keke; Xu, Hockin H. K.; Peng, Xian; Feng, Mingye; Weir, Michael D.; Chen, Yu; Cheng, Lei
2017-01-01
The objectives of this study were to investigate the effects of dental adhesives containing quaternary ammonium methacrylates (QAMs) with different alkyl chain lengths (CL) on ecological caries prevention in vitro. Five QAMs were synthesized with a CL = 3, 6, 9, 12, and 16 and incorporated into adhesives. Micro-tensile bond strength and surface charge density were used to measure the physical properties of the adhesives. The proportion change in three-species biofilms consisting of Streptococcus mutans, Streptococcus sanguinis, and Streptococcus gordonii was tested using the TaqMan real-time polymerase chain reaction. Lactic acid assay, MTT [3-(4,5-dimethyl-thiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay, exopolysaccharide staining, live/dead staining, scanning electron microscopy (SEM), and transverse microradiography (TMR) were performed to study the anti-biofilm and anti-demineralization effects of the dental adhesives. The results showed that incorporating QAMs with different alkyl chain lengths into the adhesives had no obvious effect on the dentin bond strength. The adhesives containing QAMs with a longer alkyl chain developed healthier biofilms. The surface charge density, anti-biofilm, and anti-demineralization effects of the adhesives increased with a CL of the QAMs from 3 to 12, but decreased slightly with a CL from 12 to 16. In conclusion, adhesives containing QAMs with a tailored chain length are promising for preventing secondary caries in an “ecological way”. PMID:28773004
NASA Astrophysics Data System (ADS)
Gibbs, G. V.; Ross, N. L.; Cox, D. F.
2017-09-01
The bonded radius, r b(S), of the S atom, calculated for first- and second-row non-transition metal sulfide crystals and third-row transition metal sulfide molecules and crystals indicates that the radius of the sulfur atom is not fixed as traditionally assumed, but that it decreases systematically along the bond paths of the bonded atoms with decreasing bond length as observed in an earlier study of the bonded radius of the oxygen atom. When bonded to non-transition metal atoms, r b(S) decreases systematically with decreasing bond length from 1.68 Å when the S atom is bonded to the electropositive VINa atom to 1.25 Å when bonded to the more electronegative IVP atom. In the case of transition metal atoms, rb(S) likewise decreases with decreasing bond length from 1.82 Å when bonded to Cu and to 1.12 Å when bonded to Fe. As r b(S) is not fixed at a given value but varies substantially depending on the bond length and the field strength of the bonded atoms, it is apparent that sets of crystal and atomic sulfide atomic radii based on an assumed fixed radius for the sulfur atom are satisfactory in that they reproduce bond lengths, on the one hand, whereas on the other, they are unsatisfactory in that they fail to define the actual sizes of the bonded atoms determined in terms of the minima in the electron density between the atoms. As such, we urge that the crystal chemistry and the properties of sulfides be studied in terms of the bond lengths determined by adding the radii of either the atomic and crystal radii of the atoms but not in terms of existing sets of crystal and atomic radii. After all, the bond lengths were used to determine the radii that were experimentally determined, whereas the individual radii were determined on the basis of an assumed radius for the sulfur atom.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zarubin, Dmitri P., E-mail: dmitri.zarubin@mtu-net.ru
2014-04-01
Theoretical calculations of the structure and Brønsted acidity of SiOH groups in silica clusters have never addressed the question if these vary with the degree of SiOH deprotonation. In this connection, a statistical analysis is presented of Si–OH bond lengths in crystalline hydrogen silicates with well-determined structures with a special emphasis placed on effects of the silicate composition. It is found that among hydrogen silicates of large cations with low charges the Si–OH bonds are always longer than terminal Si–O bonds in the same anion and correlate in length with the anionic charge per tetrahedron. The findings are explained bymore » steric limitations on charge balancing at oxygen atoms by hydrogen bonds and/or cations. It is suggested that similar limitations and imbalances may underlie the well-known trends in the Brønsted acidity of silicic acids and silicas in aqueous media: decreased acidity with increased SiOH deprotonation and increased acidity with increased tetrahedra connectivity. - Graphical abstract: Si–OH bonds in crystalline silicates lengthen with the anionic charge per tetrahedron, which is in parallel with the well-known trend of decreased acidity of silicic acids and silicas in solution with increased degree of deprotonation. - Highlights: • Si–OH bonds in alkali hydrogen silicates are always longer than terminal Si–O bonds. • Si–OH bonds in silicates lengthen with the anionic charge per tetrahedron. • The Si–OH bond elongation results from inherent underbonding of terminal O atoms. • The longer the Si–OH bond, the less acidic the OH group is.« less
Bruña, Sonia; González-Vadillo, Ana Mª; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M Merced; Mó, Otilia; Cuadrado, Isabel
2017-09-12
The formation of a family of silicon- and siloxane-bridged multiferrocenyl derivatives carrying different functional groups attached to silicon, including Fc 2 (CH 3 ) 3 C(CH 2 ) 2 SiCH[double bond, length as m-dash]CH 2 (5), Fc 2 (CH 2 [double bond, length as m-dash]CH-O)SiCH[double bond, length as m-dash]CH 2 (6), Fc 2 (OH)SiCH[double bond, length as m-dash]CH 2 (7), Fc 2 (CH 2 [double bond, length as m-dash]CH-O)Si-O-Si(O-CH[double bond, length as m-dash]CH 2 )Fc 2 (8) and Fc 2 (CH 2 [double bond, length as m-dash]CH-O)Si-O-SiFc 3 (9) is described. Silyl vinyl ether molecules 6, 8 and 9 and the heteroleptic vinylsilane 5 resulted from the competing metathesis reaction of lithioferrocene (FcLi), CH 2 [double bond, length as m-dash]CH-OLi or (CH 3 ) 3 C(CH 2 ) 2 Li with the corresponding multifunctional chlorosilane, Cl 3 SiCH[double bond, length as m-dash]CH 2 or Cl 3 Si-O-SiCl 3 . The last two organolithium species have been likely formed in situ by fragmentation of the tetrahydrofuran solvent. Diferrocenylvinyloxyvinylsilane 6 is noteworthy since it represents a rare example of a redox-active silyl mononomer in which two different C[double bond, length as m-dash]C polymerisable groups are directly connected to silicon. The molecular structures of the silicon-containing multiferrocenyl species 5, 6, 8 and 9 have been investigated by single-crystal X-ray diffraction studies, demonstrating the capture and storage processes of two ring fragments resulting from the cleavage of cyclic THF in redox-active and stable crystalline organometallic compounds. From electrochemical studies we found that by changing the anion of the supporting electrolyte from [PF 6 ] - to [B(C 6 F 5 ) 4 ] - , the redox behaviour of tetrametallic disiloxane 8 can be switched from a poorly resolved multistep redox process to four consecutive well-separated one-electron oxidations, corresponding to the sequential oxidation of the four ferrocenyl moieties.
The covalently bound diazo group as an infrared probe for hydrogen bonding environments.
You, Min; Liu, Liyuan; Zhang, Wenkai
2017-07-26
Covalently bound diazo groups are frequently found in biomolecular substrates. The C[double bond, length as m-dash]N[double bond, length as m-dash]N asymmetric stretching vibration (ν as ) of the diazo group has a large extinction coefficient and appears in an uncongested spectral region. To evaluate the solvatochromism of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band for studying biomolecules, we recorded the infrared (IR) spectra of a diazo model compound, 2-diazo-3-oxo-butyric acid ethyl ester, in different solvents. The width of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band was linearly dependent on the Kamlet-Taft solvent parameter, which reflects the polarizability and hydrogen bond accepting ability of the solvent. Therefore, the width of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band could be used to probe these properties for a solvent. We found that the position of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band was linearly correlated with the density of hydrogen bond donor groups in the solvent. We studied the relaxation dynamics and spectral diffusion of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band of a natural amino acid, 6-diazo-5-oxo-l-norleucine, in water using nonlinear IR spectroscopy. The relaxation and spectral diffusion time constants of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band were similar to those of the N[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band. We concluded that the position and width of the C[double bond, length as m-dash]N[double bond, length as m-dash]N ν as band of the diazo group could be used to probe the hydrogen bond donating and accepting ability of a solvent, respectively. These results suggest that the diazo group could be used as a site-specific IR probe for the local hydration
Yang, X X; Li, J W; Zhou, Z F; Wang, Y; Yang, L W; Zheng, W T; Sun, Chang Q
2012-01-21
From the perspective of bond relaxation and bond vibration, we have formulated the Raman phonon relaxation of graphene, under the stimuli of the number-of-layers, the uni-axial strain, the pressure, and the temperature, in terms of the response of the length and strength of the representative bond of the entire specimen to the applied stimuli. Theoretical unification of the measurements clarifies that: (i) the opposite trends of the Raman shifts, which are due to the number-of-layers reduction, of the G-peak shift and arises from the vibration of a pair of atoms, while the D- and the 2D-peak shifts involve the z-neighbor of a specific atom; (ii) the tensile strain-induced phonon softening and phonon-band splitting arise from the asymmetric response of the C(3v) bond geometry to the C(2v) uni-axial bond elongation; (iii) the thermal softening of the phonons originates from bond expansion and weakening; and (iv) the pressure stiffening of the phonons results from bond compression and work hardening. Reproduction of the measurements has led to quantitative information about the referential frequencies from which the Raman frequencies shift as well as the length, energy, force constant, Debye temperature, compressibility and elastic modulus of the C-C bond in graphene, which is of instrumental importance in the understanding of the unusual behavior of graphene.
Repair Bond Strength of Aged Resin Composite after Different Surface and Bonding Treatments
Wendler, Michael; Belli, Renan; Panzer, Reinhard; Skibbe, Daniel; Petschelt, Anselm; Lohbauer, Ulrich
2016-01-01
The aim of this study was to compare the effect of different mechanical surface treatments and chemical bonding protocols on the tensile bond strength (TBS) of aged composite. Bar specimens were produced using a nanohybrid resin composite and aged in distilled water for 30 days. Different surface treatments (diamond bur, phosphoric acid, silane, and sandblasting with Al2O3 or CoJet Sand), as well as bonding protocols (Primer/Adhesive) were used prior to application of the repair composite. TBS of the specimens was measured and the results were analyzed using analysis of variance (ANOVA) and the Student–Newman–Keuls test (α = 0.05). Mechanically treated surfaces were characterized under SEM and by profilometry. The effect of water aging on the degree of conversion was measured by means of FTIR-ATR spectroscopy. An important increase in the degree of conversion was observed after aging. No significant differences in TBS were observed among the mechanical surface treatments, despite variations in surface roughness profiles. Phosphoric acid etching significantly improved repair bond strength values. The cohesive TBS of the material was only reached using resin bonding agents. Application of an intermediate bonding system plays a key role in achieving reliable repair bond strengths, whereas the kind of mechanical surface treatment appears to play a secondary role. PMID:28773669
DOT National Transportation Integrated Search
2014-04-03
Pretensioned concrete ties are increasingly employed in railroad high speed : and heavy haul applications. The bond between prestressing wires or strands and : concrete plays an important role in determining the transfer length of pretensioned : conc...
HYDROGEN BONDING IN THE METHANOL DIMER
USDA-ARS?s Scientific Manuscript database
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...
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).
DOE Office of Scientific and Technical Information (OSTI.GOV)
Miyabe, Kanji; Guiochon, Georges A
2005-06-01
Surface diffusion on adsorbents made of silica gels bonded to C{sub 1}, C{sub 4}, C{sub 8}, and C{sub 18} alkyl ligands was studied in reversed-phase liquid chromatography (RPLC) from the viewpoints of two extrathermodynamic relationships: enthalpy-entropy compensation (EEC) and linear free-energy relationship (LFER). First, the values of the surface diffusion coefficient (D{sub s}), normalized by the density of the alkyl ligands, were analyzed with the modified Arrhenius equation, following the four approaches proposed in earlier research. This showed that an actual EEC resulting from substantial physicochemical effects occurs for surface diffusion and suggested a mechanistic similarity of molecular migration bymore » surface diffusion, irrespective of the alkyl chain length. Second, a new model based on EEC was derived to explain the LFER between the logarithms of D{sub s} measured under different RPLC conditions. This showed that the changes of free energy, enthalpy, and entropy of surface diffusion are linearly correlated with the carbon number in the alkyl ligands of the bonded phases and that the contribution of the C{sub 18} ligand to the changes of the thermodynamic parameters corresponds to that of the C{sub 10} ligand. The new LFER model correlates the slope and intercept of the LFER to the compensation temperatures derived from the EEC analyses and to several parameters characterizing the molecular contributions to the changes in enthalpy and entropy. Finally, the new model was used to estimate D{sub s} under various RPLC conditions. The values of D{sub s} that were estimated from only two original experimental D{sub s} data were in agreement with corresponding experimental D{sub s} values, with relative errors of {approx}20%, irrespective of some RPLC conditions.« less
Bond-Slip Relationship for CFRP Sheets Externally Bonded to Concrete under Cyclic Loading.
Li, Ke; Cao, Shuangyin; Yang, Yue; Zhu, Juntao
2018-02-26
The objective of this paper was to explore the bond-slip relationship between carbon fiber-reinforced polymer (CFRP) sheets and concrete under cyclic loading through experimental and analytical approaches. Modified beam tests were performed in order to gain insight into the bond-slip relationship under static and cyclic loading. The test variables are the CFRP-to-concrete width ratio, and the bond length of the CFRP sheets. An analysis of the test results in this paper and existing test results indicated that the slope of the ascending segment of the bond-slip curve decreased with an increase in the number of load cycles, but the slip corresponding to the maximum shear stress was almost invariable as the number of load cycles increased. In addition, the rate of reduction in the slope of the ascending range of the bond-slip curve during cyclic loading decreased as the concrete strength increased, and increased as the load level or CFRP-to-concrete width ratio enhanced. However, these were not affected by variations in bond length if the residual bond length was longer than the effective bond length. A bilinear bond-slip model for CFRP sheets that are externally bonded to concrete under cyclic loading, which considered the effects of the cyclic load level, concrete strength, and CFRP-to-concrete ratio, was developed based on the existing static bond-slip model. The accuracy of this proposed model was verified by a comparison between this proposed model and test results.
[Bonding properties of four different cements to glass fiber posts after different treatments].
Li, Xiaojing; Zhao, Sanjun; Shen, Lijuan; Xu, Shuai; Sun, Jiaqi; Chen, Jihua
2014-03-01
To investigate the effect of four different cements on the bonding effectiveness of root canal dentine and fiber post before and after different treatments. A total of 216 freshly extracted sound single-root-canal mandibular premolars were randomly divided into four groups. After root canal treatment and post space preparation being conducted on the premolars, Fuji I, Fuji Cem, RelyX Unicem, RelyX ARC were used respectively to bond fiber posts and were marked with group A, B, C, and D. Microleakage, micromorphology of the bonded interfaces, and pull-out bond strength were evaluated in the immediate group, thermocycling group and thermomechanical loading group. In the immediate group, samples in group D showed the highest bond strength [(278 ± 26)N], followed by group C[ (219 ± 12) N], B[ (104 ± 23) N] and A[(73 ± 8) N]. Significant differences were found among all groups (P < 0.05) . A significant increase in bond strength was found in group A and B, whereas a decrease tendency was detected in group C and D after different treatments.Scanning electron microscope indicated that some little gaps were observed in group D after treatment, while a more intense bonding interface was found in group A and B. Microleakage scores in group A and B were lower than those in group C and D after aging treatments. Resin cement can achieve a better immediate bond strength, while resin-modified resin cement may acquire a better long-term retention.
NASA Astrophysics Data System (ADS)
Smith, P. J.; Popelier, P. L. A.
2004-02-01
The present day abundance of cheap computing power enables the use of quantum chemical ab initio data in Quantitative Structure-Activity Relationships (QSARs). Optimised bond lengths are a new such class of descriptors, which we have successfully used previously in representing electronic effects in medicinal and ecological QSARs (enzyme inhibitory activity, hydrolysis rate constants and pKas). Here we use AM1 and HF/3-21G* bond lengths in conjunction with Partial Least Squares (PLS) and a Genetic Algorithm (GA) to predict the Corticosteroid-Binding Globulin (CBG) binding activity of the classic steroid data set, and the antibacterial activity of nitrofuran derivatives. The current procedure, which does not require molecular alignment, produces good r2 and q2 values. Moreover, it highlights regions in the common steroid skeleton deemed relevant to the active regions of the steroids and nitrofuran derivatives.
Influence of metal bonding layer on strain transfer performance of FBG
NASA Astrophysics Data System (ADS)
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.
DHS Internship Summary-Crystal Assembly at Different Length Scales
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mishchenko, L
2009-08-06
I was part of a project in which in situ atomic force microscopy (AFM) was used to monitor growth and dissolution of atomic and colloidal crystals. At both length scales, the chemical environment of the system greatly altered crystal growth and dissolution. Calcium phosphate was used as a model system for atomic crystals. A dissolution-reprecipitation reaction was observed in this first system, involving the conversion of brushite (DCPD) to octacalcium phosphate (OCP). In the second system, polymeric colloidal crystals were dissolved in an ionic solvent, revealing the underlying structure of the crystal. The dissolved crystal was then regrown through anmore » evaporative step method. Recently, we have also found that colloids can be reversibly deposited in situ onto an ITO (indium tin oxide) substrate via an electrochemistry setup. The overall goal of this project was to develop an understanding of the mechanisms that control crystallization and order, so that these might be controlled during material synthesis. Controlled assembly of materials over a range of length scales from molecules to nanoparticles to colloids is critical for designing new materials. In particular, developing materials for sensor applications with tailorable properties and long range order is important. In this work, we examine two of these length scales: small molecule crystallization of calcium phosphate (whose crystal phases include DCPD, OCP, and HAP) and colloidal crystallization of Poly(methyl methacrylate) beads. Atomic Force Microscopy is ideal for this line of work because it allows for the possibility of observing non-conducting samples in fluid during growth with high resolution ({approx} 10 nm). In fact, during atomic crystal growth one can observe changes in atomic steps, and with colloidal crystals, one can monitor the individual building blocks of the crystal. Colloids and atoms crystallize under the influence of different forces acting at different length scales as seen in
Bastos, Laura Alves; Sousa, Ana Beatriz Silva; Drubi-Filho, Brahim; Panzeri Pires-de-Souza, Fernanda de Carvalho; Garcia, Lucas da Fonseca Roberti
2015-02-01
The aim of this study was to evaluate the effect of pre-etching on the bond strength of silorane-based composite specific adhesive system to dentin. Thirty human molars were randomly divided into 5 groups according to the different bonding strategies. For teeth restored with silorane-based composite (Filtek Silorane, 3M ESPE), the specific self-etching adhesive system (Adhesive System P90, 3M ESPE) was used with and without pre-etching (Pre-etching/Silorane and Silorane groups). Teeth restored with methacrylate based-composite (Filtek Z250, 3M ESPE) were hybridized with the two-step self-etching system (Clearfil SE Bond, Kuraray), with and without pre-etching (Pre-etching/Methacrylate and Methacrylate groups), or three-step adhesive system (Adper Scotchbond Multi-Purpose, 3M ESPE) (Three-step/Methacrylate group) (n = 6). The restored teeth were sectioned into stick-shaped test specimens (1.0 × 1.0 mm), and coupled to a universal test machine (0.5 mm/min) to perform microtensile testing. Pre-etching/Methacrylate group presented the highest bond strength values, with significant difference from Silorane and Three-step/Methacrylate groups (p < 0.05). However, it was not significantly different from Preetching/Silorane and Methacrylate groups. Pre-etching increased bond strength of silorane-based composite specific adhesive system to dentin.
Adams, Christopher J; Connelly, Neil G; Onganusorn, Sriwipha
2009-04-28
The complexes [(eta-C(5)Me(5))(ON)LMn(micro-CN)M(CO)(RC[triple bond, length as m-dash]CR)Tp'](+) (L = CNXyl, M = Mo; L = CNBu(t), M = Mo or W, R = Ph or Me) and trans- or cis-[(dppm){(EtO)(3)P}(OC)(2)Mn(micro-CN)M(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](+), and their linkage isomers [(eta-C(5)Me(5))(ON)LMn(micro-NC)M(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](+) and trans- or cis-[(dppm){(EtO)(3)P}(OC)(2)Mn(micro-NC)M(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](+), undergo two one-electron oxidations. The complexes [(eta-C(5)Me(5))(ON)LMn(micro-XY)M(CO)(RC[triple bond, length as m-dash]CR)Tp'](+) (XY = CN or NC) are oxidised first at the N-bound metal centre and then at the C-bound centre. For [(dppm){(EtO)(3)P}(OC)(2)Mn(micro-XY)M(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](+), the trans isomers are first oxidised at manganese whereas the cis isomers are first oxidised at M. Thus, the order of one-electron oxidation of the two series of binuclear monocations is influenced by linkage isomerisation of the cyanide bridge and cis-trans isomerisation of the Mn(CO)(2) group. IR spectroscopic changes on reaction of Ag(+) with [(eta-C(5)Me(5))(ON)(Bu(t)NC)Mn(micro-CN)W(CO)(MeC[triple bond, length as m-dash]CMe)Tp'](+) are consistent with one-electron at the N-bound tungsten centre. Likewise, trans-[(dppm){(EtO)(3)P}(OC)(2)Mn(micro-NC)M(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](+) (M = Mo or W) give the stable dications [(dppm){(EtO)(3)P}(OC)(2)Mn(micro-NC)M(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](2+). Significantly longer Mn-P bond distances in trans-[(dppm){(EtO)(3)P}(OC)(2)Mn(micro-NC)Mo(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](2+) than in trans-[(dppm){(EtO)(3)P}(OC)(2)Mn(micro-NC)Mo(CO)(PhC[triple bond, length as m-dash]CPh)Tp'](+) are consistent with one-electron oxidation first at Mn(I); the alignment of the (CN)Mn(CO)(2){P(OEt)(3)}(dppm) fragment relative to the alkyne in trans-[(dppm){(EtO)(3)P}(OC)(2)Mn
Bastos, Laura Alves; Sousa, Ana Beatriz Silva; Drubi-Filho, Brahim; Panzeri Pires-de-Souza, Fernanda de Carvalho
2015-01-01
Objectives The aim of this study was to evaluate the effect of pre-etching on the bond strength of silorane-based composite specific adhesive system to dentin. Materials and Methods Thirty human molars were randomly divided into 5 groups according to the different bonding strategies. For teeth restored with silorane-based composite (Filtek Silorane, 3M ESPE), the specific self-etching adhesive system (Adhesive System P90, 3M ESPE) was used with and without pre-etching (Pre-etching/Silorane and Silorane groups). Teeth restored with methacrylate based-composite (Filtek Z250, 3M ESPE) were hybridized with the two-step self-etching system (Clearfil SE Bond, Kuraray), with and without pre-etching (Pre-etching/Methacrylate and Methacrylate groups), or three-step adhesive system (Adper Scotchbond Multi-Purpose, 3M ESPE) (Three-step/Methacrylate group) (n = 6). The restored teeth were sectioned into stick-shaped test specimens (1.0 × 1.0 mm), and coupled to a universal test machine (0.5 mm/min) to perform microtensile testing. Results Pre-etching/Methacrylate group presented the highest bond strength values, with significant difference from Silorane and Three-step/Methacrylate groups (p < 0.05). However, it was not significantly different from Preetching/Silorane and Methacrylate groups. Conclusions Pre-etching increased bond strength of silorane-based composite specific adhesive system to dentin. PMID:25671209
Kanashiro, Lylian K; Robles-Ruíz, Julissa J; Ciamponi, Ana L; Medeiros, Igor S; Tortamano, André; Paiva, João B
2014-09-01
To determine the influence on shear bond strength and bond failure location of four cleaning methods for orthodontic bracket custom bases. In vitro laboratory study. Eighty bovine teeth were divided at random into four groups. The bracket custom bases were cleaned with different methods: group 1 with methyl methacrylate monomer, group 2 with acetone, group 3 with 50 μm aluminium oxide particles and group 4 with detergent. The brackets were indirectly bonded onto the teeth with the Sondhi Rapid-Set self-curing adhesive. The maximum required shear bond strength to debond the brackets was recorded. The bond failure location was evaluated using the Adhesive Remnant Index (ARI). One-way analysis of variance (ANOVA) analysis (P<0·05) was used to detect significant differences in the bond strength. Kaplan-Meier survival plots and log-rank test were done to compare the survival distribution between the groups. The Kruskal-Wallis test (P<0·05) was used to evaluate the differences in the ARI scores. The mean bond strengths in groups 1, 2, 3 and 4 were 23·7±5·0, 25·3±5·1, 25·6±3·7 and 25·7±4·2 MPa, respectively. There were no significant statistically differences in either the bond strength or the ARI score between the groups. The four custom base-cleaning methods presented the same efficiencies on indirect bond of the brackets; thus, practitioners can choose the method that works best for them. © 2014 British Orthodontic Society.
Waidyasekera, Kanchana; Nikaido, Toru; Weerasinghe, Dinesh; Nurrohman, Hamid; Tagami, Junji
2012-04-01
This study evaluated a dual-curing composite along with different dentin adhesive systems for 1 year under water storage, as a new bonding method of root fragments in complete vertical root fracture. Bovine root fragments were bonded with the dual-curing resin composite Clearfil DC Core Automix (DCA) and one of three adhesive systems: two-step self-etching adhesive Clearfil SE Bond (SE), one-step self-etching adhesive Tokuyama Bond Force (BF), one-step dual-curing self-etching adhesive Clearfil DC Bond (DC). Microtensile bond strength (µTBS)/ultimate tensile bond strength (UTS), FE-SEM ultramorphology of fracture modes, and adhesive dentin interface were observed after water storage for periods of up to one year. The data were analyzed with two-way ANOVA. µTBS was influenced by "dentin adhesive system" (F = 324.455, p < 0.001) and "length of water storage" (F = 8.470, p < 0.001). SE yielded significantly higher µTBS, regardless of storage period (p < 0.05) and maintained the initial µTBS without a significant change after 1 year of water storage (p > 0.05). From 24 h to 1 month, BF showed significantly higher bond strength than DC. UTS of DCA was influenced only by the curing mode of the material (F = 5.051, p = 0.027), but not by the length of water storage (F = 0.053, p > 0.05). Two-step self-etching adhesive systems and dual-curing composite core material can be considered as a suitable bonding method for complete root fractures.
Shear bond strength of orthodontic brackets bonded with different self-etching adhesives.
Scougall Vilchis, Rogelio José; Yamamoto, Seigo; Kitai, Noriyuki; Yamamoto, Kohji
2009-09-01
The purpose of this study was to compare the shear bond strength (SBS) of orthodontic brackets bonded with 4 self-etching adhesives. A total of 175 extracted premolars were randomly divided into 5 groups (n = 35). Group I was the control, in which the enamel was etched with 37% phosphoric acid, and stainless steel brackets were bonded with Transbond XT (3M Unitek, Monrovia, Calif). In the remaining 4 groups, the enamel was conditioned with the following self-etching primers and adhesives: group II, Transbond Plus and Transbond XT (3M Unitek); group III, Clearfil Mega Bond FA and Kurasper F (Kuraray Medical, Tokyo, Japan); group IV, Primers A and B, and BeautyOrtho Bond (Shofu, Kyoto, Japan); and group V, AdheSE and Heliosit Orthodontic (Ivoclar Vivadent AG, Liechtenstein). The teeth were stored in distilled water at 37 degrees C for 24 hours and debonded with a universal testing machine. The adhesive remnant index (ARI) including enamel fracture score was also evaluated. Additionally, the conditioned enamel surfaces were observed under a scanning electron microscope. The SBS values of groups I (19.0 +/- 6.7 MPa) and II (16.6 +/- 7.3 MPa) were significantly higher than those of groups III (11.0 +/- 3.9 MPa), IV (10.1 +/- 3.7 MPa), and V (11.8 +/- 3.5 MPa). Fluoride-releasing adhesives (Kurasper F and BeautyOrtho Bond) showed clinically acceptable SBS values. Significant differences were found in the ARI and enamel fracture scores between groups I and II. The 4 self-etching adhesives yielded SBS values higher than the bond strength (5.9 to 7.8 MPa) suggested for routine clinical treatment, indicating that orthodontic brackets can be successfully bonded with any of these self-etching adhesives.
Abu Alhaija, Elham S J; Abu AlReesh, Issam A; AlWahadni, Ahed M S
2010-06-01
The aims of this study were to evaluate the shear bond strength (SBS) of metal and ceramic brackets bonded to two different all-ceramic crowns, IPS Empress 2 and In-Ceram Alumina, to compare the SBS between hydrofluoric acid (HFA), phosphoric acid etched, and sandblasted, non-etched all-ceramic surfaces. Ninety-six all-ceramic crowns were fabricated resembling a maxillary left first premolar. The crowns were divided into eight groups: (1) metal brackets bonded to sandblasted 9.6 per cent HFA-etched IPS Empress 2 crowns; (2) metal brackets bonded to sandblasted 9.6 per cent HFA-etched In-Ceram crowns; (3) ceramic brackets bonded to sandblasted 9.6 per cent HFA-etched IPS Empress 2 crowns; (4) ceramic brackets bonded to sandblasted 9.6 per cent HFA-etched In-Ceram crowns; (5) metal brackets bonded to sandblasted 37 per cent phosphoric acid-etched IPS Empress 2 crowns; (6) metal brackets bonded to sandblasted 37 per cent phosphoric acid-etched In-Ceram crowns; (7) metal brackets bonded to sandblasted, non-etched IPS Empress 2 crowns; and (8) metal brackets bonded to sandblasted, non-etched In-Ceram crowns. Metal and ceramic orthodontic brackets were bonded using a conventional light polymerizing adhesive resin. An Instron universal testing machine was used to determine the SBS at a crosshead speed of 0.1 mm/minute. Comparison between groups was performed using a univariate general linear model and chi-squared tests. The highest mean SBS was found in group 3 (120.15 +/- 45.05 N) and the lowest in group 8 (57.86 +/- 26.20 N). Of all the variables studied, surface treatment was the only factor that significantly affected SBS (P < 0.001). Acid etch application to sandblasted surfaces significantly increased the SBS in groups 1, 2, 5, and 6. The SBS of metal brackets debonded from groups 1, 3, and 5 were not significantly different from those of groups 2, 4, and 6. All debonded metal brackets revealed a similar pattern of bond failure at the adhesive-restorative interface
Numan, Michael; Young, Larry J.
2015-01-01
Mother-infant bonding is a characteristic of virtually all mammals. The maternal neural system may have provided the scaffold upon which other types of social bonds in mammals have been built. For example, most mammals exhibit a polygamous mating system, but monogamy and pair bonding between mating partners occurs in ∼5% of mammalian species. In mammals, it is plausible that the neural mechanisms that promote mother-infant bonding have been modified by natural selection to establish the capacity to develop a selective bond with a mate during the evolution of monogamous mating strategies. Here we compare the details of the neural mechanisms that promote mother-infant bonding in rats and other mammals with those that underpin pair bond formation in the monogamous prairie vole. Although details remain to be resolved, remarkable similarities and a few differences between the mechanisms underlying these two types of bond formation are revealed. For example, amygdala and nucleus accumbens-ventral pallidum (NA-VP) circuits are involved in both types of bond formation, and dopamine and oxytocin action within NA appears to promote the synaptic plasticity that allows either infant or mating partner stimuli to persistently activate NA-VP attraction circuits, leading to an enduring social attraction and bonding. Further, although the medial preoptic area is essential for maternal behavior, its role in pair bonding remains to be determined. Our review concludes by examining the broader implications of this comparative analysis, and evidence is provided that the maternal care system may have also provided the basic neural foundation for other types of strong social relationships, beyond pair bonding, in mammals, including humans. PMID:26062432
Kulkarni, Girish; Mishra, Vinay K
2016-05-01
The purpose of this study was to compare the effect of enamel wetness on microshear bond strength using different adhesive systems. To evaluate microshear bond strength of three bonding agents on dry enamel; to evaluate microshear bond strength of three bonding agents on wet enamel; and to compare microshear bond strength of three different bonding agents on dry and wet enamel. Sixty extracted noncarious human premolars were selected for this study. Flat enamel surfaces of approximately 3 mm were obtained by grinding the buccal surfaces of premolars with water-cooled diamond disks. This study evaluated one etch-and-rinse adhesive system (Single Bond 2) and two self-etching adhesive systems (Clearfil SE Bond and Xeno-V). The specimens were divided into two groups (n = 30). Group I (dry) was air-dried for 30 seconds and in group II (wet) surfaces were blotted with absorbent paper to remove excess water. These groups were further divided into six subgroups (n = 10) according to the adhesives used. The resin composite, Filtek Z 250, was bonded to flat enamel surfaces that had been treated with one of the adhesives, following the manufacturer's instructions. After being stored in water at 37°C for 24 hours, bonded specimens were stressed in universal testing machine (Fig. 3) at a crosshead speed of 1 mm/min. The data were evaluated with one-way and two-way analysis of variance (ANOVA), t-test, and Tukey's Multiple Post hoc tests (a = 0.05). The two-way ANOVA and Tukey's Multiple Post hoc tests showed significant differences among adhesive systems, but wetness did not influence microshear bond strength (p = 0.1762). The one-way ANOVA and t-test showed that the all-in-one adhesive (Xeno-V) was the only material influenced by the presence of water on the enamel surface. Xeno-V showed significantly higher microshear bond strength when the enamel was kept wet. Single Bond 2 adhesive showed significantly higher microshear bond strength as compared with Xeno-V adhesive but no
Reicheneder, Claudia; Hofrichter, Bernd; Faltermeier, Andreas; Proff, Peter; Lippold, Carsten; Kirschneck, Christian
2014-11-28
We aimed to compare the shear bond strength (SBS) of three different retainer wires and three different bonding adhesives in consideration of the pretreatment process of enamel surface sandblasting. 400 extracted bovine incisors were divided into 10 groups of 20 paired specimens each. 10 specimens of each group were pretreated by enamel sandblasting. The retainer wires Bond-A-Braid™, GAC-Wildcat®-Twistflex and everStick®ORTHO were bonded to the teeth with the adhesives Transbond™-LR, Tetric-EvoFlow™ and Stick®FLOW and then debonded measuring the SBS. While sandblasting generally increased SBS for all tested combinations, the retainer wires bonded with Transbond™-LR showed the highest SBS both with and without prior sandblasting. Significantly lower SBS were found for Tetric-EvoFlow™ that were comparable to those for everStick®ORTHO. Pretreatment of enamel surfaces by sandblasting increased the SBS of all retainer-wires. Transbond™-LR showed the best results compared to Tetric-EvoFlow™ and everStick®ORTHO, while all combinations used provided sufficient bonding strengths for clinical use.
Bond Length Equalization with molecular aromaticity-A new measurement of aromaticity.
Shen, Chen-Fei; Liu, Zi-Zhong; Liu, Hong-Xia; Zhang, Hui-Qing
2018-05-08
A new method to measure the amount of aromaticity is presented through the process of Bond Length Equalization (BLE). Degree of Aromaticity (DOA), a two-dimensional intensive quantity including geometric and energetic factors, as a new measurement of aromaticity is proposed. The unique characteristic of DOA and the formation of DOA will be displayed. The calculation of the geometrical optimization, DOA, Nucleus Independent Chemical Shifts (NICS) and Ring Stretching Vibration Raman Spectroscopy Frequency (RSVRSF) for the aromatic ring molecules - G n H n m (G = C, Si, Ge, n = 3, 5-8, m = +1, -1, 0, +1, +2) were calculated using the method of Density Functional Theory (DFT). The correlation between radius angle and molecular energy is absolute quadratic in the process of BLE. As the increasing of the number of ring atoms, the value of DOA decreasing gradually, the aromaticity decreased gradually, which was a same conclusion as NICS and RSVRSF concluded. Copyright © 2018 Elsevier B.V. All rights reserved.
Numan, Michael; Young, Larry J
2016-01-01
This article is part of a Special Issue "Parental Care". Mother-infant bonding is a characteristic of virtually all mammals. The maternal neural system may have provided the scaffold upon which other types of social bonds in mammals have been built. For example, most mammals exhibit a polygamous mating system, but monogamy and pair bonding between mating partners occur in ~5% of mammalian species. In mammals, it is plausible that the neural mechanisms that promote mother-infant bonding have been modified by natural selection to establish the capacity to develop a selective bond with a mate during the evolution of monogamous mating strategies. Here we compare the details of the neural mechanisms that promote mother-infant bonding in rats and other mammals with those that underpin pair bond formation in the monogamous prairie vole. Although details remain to be resolved, remarkable similarities and a few differences between the mechanisms underlying these two types of bond formation are revealed. For example, amygdala and nucleus accumbens-ventral pallidum (NA-VP) circuits are involved in both types of bond formation, and dopamine and oxytocin actions within NA appear to promote the synaptic plasticity that allows either infant or mating partner stimuli to persistently activate NA-VP attraction circuits, leading to an enduring social attraction and bonding. Further, although the medial preoptic area is essential for maternal behavior, its role in pair bonding remains to be determined. Our review concludes by examining the broader implications of this comparative analysis, and evidence is provided that the maternal care system may have also provided the basic neural foundation for other types of strong social relationships, beyond pair bonding, in mammals, including humans. Copyright © 2015 Elsevier Inc. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Omar, M.S., E-mail: dr_m_s_omar@yahoo.com
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 thatmore » 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.« less
NASA Astrophysics Data System (ADS)
Pati, Ranjit; Karna, Shashi P.
2002-01-01
The dependence of electron transfer (ET) coupling element, VAB, on the length of rigid-rod-like systems consisting of bicyclo[1.1.1]pentane (BCP), cubane (CUB), and bicyclo[2.2.2]octane (BCO) monomers, has been investigated with the use of ab initio Hartree-Fock (HF) method employing Marcus-Hush two-state (TS) model. The value of VAB decreases exponentially with increase in the number of the cage units of the σ-bonded molecules. The calculated decay constant, β, shows good agreement with previously reported data. For molecular length⩾15 Å, the value of VAB becomes negligibly small, suggesting complete suppression of the through bond direct tunneling contribution to ET process.
Shear Bond Strengths of Different Adhesive Systems to Biodentine
Odabaş, Mesut Enes; Bani, Mehmet; Tirali, Resmiye Ebru
2013-01-01
The aim of this study was to measure the shear bond strength of different adhesive systems to Biodentine with different time intervals. Eighty specimens of Biodentine were prepared and divided into 8 groups. After 12 minutes, 40 samples were randomly selected and divided into 4 groups of 10 each: group 1: (etch-and-rinse adhesive system) Prime & Bond NT; group 2: (2-step self-etch adhesive system) Clearfil SE Bond; group 3: (1-step self-etch adhesive systems) Clearfil S3 Bond; group 4: control (no adhesive). After the application of adhesive systems, composite resin was applied over Biodentine. This procedure was repeated 24 hours after mixing additional 40 samples, respectively. Shear bond strengths were measured using a universal testing machine, and the data were subjected to 1-way analysis of variance and Scheffé post hoc test. No significant differences were found between all of the adhesive groups at the same time intervals (12 minutes and 24 hours) (P > .05). Among the two time intervals, the lowest value was obtained for group 1 (etch-and-rinse adhesive) at a 12-minute period, and the highest was obtained for group 2 (two-step self-etch adhesive) at a 24-hour period. The placement of composite resin used with self-etch adhesive systems over Biodentine showed better shear bond strength. PMID:24222742
Shear bond strengths of different adhesive systems to biodentine.
Odabaş, Mesut Enes; Bani, Mehmet; Tirali, Resmiye Ebru
2013-01-01
The aim of this study was to measure the shear bond strength of different adhesive systems to Biodentine with different time intervals. Eighty specimens of Biodentine were prepared and divided into 8 groups. After 12 minutes, 40 samples were randomly selected and divided into 4 groups of 10 each: group 1: (etch-and-rinse adhesive system) Prime & Bond NT; group 2: (2-step self-etch adhesive system) Clearfil SE Bond; group 3: (1-step self-etch adhesive systems) Clearfil S(3) Bond; group 4: control (no adhesive). After the application of adhesive systems, composite resin was applied over Biodentine. This procedure was repeated 24 hours after mixing additional 40 samples, respectively. Shear bond strengths were measured using a universal testing machine, and the data were subjected to 1-way analysis of variance and Scheffé post hoc test. No significant differences were found between all of the adhesive groups at the same time intervals (12 minutes and 24 hours) (P > .05). Among the two time intervals, the lowest value was obtained for group 1 (etch-and-rinse adhesive) at a 12-minute period, and the highest was obtained for group 2 (two-step self-etch adhesive) at a 24-hour period. The placement of composite resin used with self-etch adhesive systems over Biodentine showed better shear bond strength.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Huff, Johnathon; McLean, Michael B.; Jenkins, Mark W.
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, themore » 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.« less
Gelbrich, Thomas; Braun, Doris E.; Oberparleiter, Stefan; Schottenberger, Herwig; Griesser, Ulrich J.
2017-01-01
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 (MeOH)O–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. PMID:28670485
Alkorta, Ibon; Popelier, Paul L A
2015-02-02
Remarkably simple yet effective linear free energy relationships were discovered between a single ab initio computed bond length in the gas phase and experimental pKa values in aqueous solution. The formation of these relationships is driven by chemical features such as functional groups, meta/para substitution and tautomerism. The high structural content of the ab initio bond length makes a given data set essentially divide itself into high correlation subsets (HCSs). Surprisingly, all molecules in a given high correlation subset share the same conformation in the gas phase. Here we show that accurate pKa values can be predicted from such HCSs. This is achieved within an accuracy of 0.2 pKa units for 5 drug molecules. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Anharmonic Potential Constants and Their Dependence Upon Bond Length
DOE R&D Accomplishments Database
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)
Khanehmasjedi, Mashallah; Naseri, Mohammad Ali; Khanehmasjedi, Samaneh; Basir, Leila
2017-02-01
This study compared the shear bond strength of metallic brackets bonded with Single Bond and Assure bonding agents under dry and saliva-contamination conditions. Sixty sound premolar teeth were selected, and stainless-steel brackets were bonded on enamel surfaces with Single Bond and Assure bonding agents under dry condition or with saliva contamination. Shear bond strength values of brackets were measured in a universal testing machine. The adhesive remnant index scores were determined after debonding of the brackets under a stereomicroscope. One-way analysis of variance (ANOVA) was used to analyze bond strength. Two-by-two comparisons were made with post hoc Tukey tests (p<0.001). Frequencies of adhesive remnant index scores were analyzed by Kruskal-Wallis test. Bond strength values of brackets to tooth structure were 9.29±8.56 MPa and 21.25±8.93 MPa with the use of Assure resin bonding agent under saliva-contamination and dry conditions, respectively. These values were 10.13±6.69 MPa and 14.09±6.6 MPa, respectively, under the same conditions with the use of Single Bond adhesive. Contamination with saliva resulted in a significant decrease in the bond strength of brackets to tooth structure with the application of Assure adhesive resin (p<0.001). There were no significant differences in the adhesive remnant index scores between the study groups. Application of Single Bond and Assure bonding agents resulted in adequate bond strength of brackets to tooth structures. Contamination with saliva significantly decreased the bond strength of Assure bonding agent compared with dry conditions. Copyright © 2016. Published by Elsevier Taiwan LLC.
IR spectroscopy as a source of data on bond strengths
NASA Astrophysics Data System (ADS)
Finkelshtein, E. I.; Shamsiev, R. S.
2018-02-01
The aim of this work is the estimation of double bond strength, namely Cdbnd O bonds in ketones and aldehydes and Cdbnd C bonds in various compounds. By the breaking of these bonds one or both fragments formed are carbenes, for which experimental data on the enthalpies of formation (ΔHf298) are scarce. Thus for the estimation of ΔHf298 of the corresponding carbenes, the empirical equations were proposed based on different approximations. In addition, a quantum chemical calculations of the ΔHf298 values of carbenes were performed, and the data obtained were compared with experimental values and the results of earlier calculations. Equations for the calculation of Cdbnd O bond strengths of different ketones and aldehydes from the corresponding stretching frequencies ν(Cdbnd O) were derived. Using the proposed equations, the strengths of Cdbnd O bonds of 25 ketones and 12 conjugated aldehydes, as well as Cdbnd C bonds of 13 hydrocarbons and 7 conjugated aldehydes were estimated for the first time. Linear correlations of Cdbnd C and Cdbnd O bond strengths with the bond lengths were established, and the equations permitting the estimation of the double bond strengths and lengths with acceptable accuracy were obtained. Also, the strength of central Cdbnd C bond of stilbene was calculated for the first time. The uncertainty of the strengths of double bonds obtained may be regarded as accurate ±10-15 kJ/mol.
Buyuk, S Kutalmış; Kucukekenci, Ahmet Serkan
2018-03-01
To investigate the shear bond strength (SBS) of orthodontic metal brackets applied to different types of ceramic surfaces treated with different etching procedures and bonding agents. Monolithic CAD/CAM ceramic specimens (N = 120; n = 40 each group) of feldspathic ceramic Vita Mark II, resin nanoceramic Lava Ultimate, and hybrid ceramic Vita Enamic were fabricated (14 × 12 × 3 mm). Ceramic specimens were separated into four subgroups (n = 10) according to type of surface treatment and bonding onto the ceramic surface. Within each group, four subgroups were prepared by phosphoric acid, hydrofluoric acid, Transbond XT primer, and Clearfill Ceramic primer. Mandibular central incisor metal brackets were bonded with light-cure composite. The SBS data were analyzed using three-way analysis of variance (ANOVA) and Tukey HSD tests. The highest SBS was found in the Vita Enamic group, which is a hybrid ceramic, etched with hydrofluoric acid and applied Transbond XT Adhesive primer (7.28 ± 2.49 MPa). The lowest SBS was found in the Lava Ultimate group, which is a resin nano-ceramic etched with hydrofluoric acid and applied Clearfill ceramic primer (2.20 ± 1.21 MPa). CAD/CAM material types and bonding procedures affected bond strength ( P < .05), but the etching procedure did not ( P > .05). The use of Transbond XT as a primer bonding agent resulted in higher SBS.
Resin cementation of zirconia ceramics with different bonding agents
Tanış, Merve Çakırbay; Akay, Canan; Karakış, Duygu
2015-01-01
The aim of this study was to evaluate the effects of sandblasting and different chemical bonding agents on shear bond strength of zirconia and conventional resin cement. In this study, 35 zirconia specimens were treated as follows: Group I: control; Group II: sandblasting; Group III: sandblasting + Monobond S; Group IV: sandblasting + Monobond Plus; Group V: sandblasting + Z-Prime Plus. The specimens in each group were bonded with conventional composite resin cement Variolink II. After cementation, specimens were stored in distilled water (at 37 °C) for 24 h and shear test was performed. The highest shear bond strength values were observed in Groups IV and V. The lowest shear bond strength values were observed in Group I. Using 10-methacryloyloxy-decyl dihydrogenphosphate monomer-containing priming agents, e.g. Monobond Plus and Z-PRIME Plus, combined with sandblasting can be an effective method for resin bonding of zirconia restorations. PMID:26019653
Akhoundi, Ms Ahmad; Kamel, M Rahmati; Hashemi, Sh Mahmood; Imani, M
2011-01-01
The objective of this study was to compare the tensile bond strength of metal brackets bonding to glazed ceramic surfaces using three various surface treatments. Forty two glazed ceramic disks were assigned to three groups. In the first and second groups the specimens were etched with 9.5% hydrofluoric acid (HFA). Subsequently in first group, ceramic primer and adhesive were applied, but in second group a bonding agent alone was used. In third group, specimens were treated with 35% phosphoric acid followed by ceramic primer and adhesive application. Brackets were bonded with light cure composites. The specimens were stored in distilled water in the room temperature for 24 hours and thermocycled 500 times between 5°C and 55°C. The universal testing machine was used to test the tensile bond strength and the adhesive remenant index scores between three groups was evaluated. The data were subjected to one-way ANOVA, Tukey and Kruskal-Wallis tests respectively. The tensile bond strength was 3.69±0.52 MPa forfirst group, 2.69±0.91 MPa for second group and 3.60±0.41 MPa for third group. Group II specimens showed tensile strength values significantly different from other groups (P<0.01). In spite of limitations in laboratory studies it may be concluded that in application of Scotch bond multipurpose plus adhesive, phosphoric acid can be used instead of HFA for bonding brackets to the glazed ceramic restorations with enough tensile bond strength.
Bond Strength of Composite CFRP Reinforcing Bars in Timber
Corradi, Marco; Righetti, Luca; Borri, Antonio
2015-01-01
The use of near-surface mounted (NSM) fibre-reinforced polymer (FRP) bars is an interesting method for increasing the shear and flexural strength of existing timber members. This article examines the behaviour of carbon FRP (CFRP) bars in timber under direct pull-out conditions. The objective of this experimental program is to investigate the bond strength between composite bars and timber: bars were epoxied into small notches made into chestnut and fir wood members using a commercially-available epoxy system. Bonded lengths varied from 150 to 300 mm. Failure modes, stress and strain distributions and the bond strength of CFRP bars have been evaluated and discussed. The pull-out capacity in NSM CFRP bars at the onset of debonding increased with bonded length up to a length of 250 mm. While CFRP bar’s pull-out was achieved only for specimens with bonded lengths of 150 and 200 mm, bar tensile failure was mainly recorded for bonded lengths of 250 and 300 mm. PMID:28793423
Bond strength of different adhesives to normal and caries-affected dentins.
Xuan, Wei; Hou, Ben-xiang; Lü, Ya-lin
2010-02-05
Currently, several systems of dentin substrate-reacting adhesives are available for use in the restorative treatment against caries. However, the bond effectiveness and property of different adhesive systems to caries-affected dentin are not fully understood. The objective of this study was to evaluate the bond strength of different adhesives to both normal dentin (ND) and caries-affected dentin (CAD) and to analyze the dentin/adhesive interfacial characteristics. Twenty eight extracted human molars with coronal medium carious lesions were randomly assigned to four groups according to adhesives used. ND and CAD were bonded with etch-and-rinse adhesive Adper Single Bond 2 (SB2) or self-etching adhesives Clearfil SE Bond (CSE), Clearfil S(3) Bond (CS3), iBond GI (IB). Rectangular sticks of resin-dentin bonded interfaces 0.9 mm(2) were obtained. The specimens were subjected to microtensile bond strength (microTBS) testing at a crosshead speed of 1 mm/min. Mean microTBS was statistically analyzed with analysis of variance (ANOVA) and Student-Newman-Keuls tests. Interfacial morphologies were analyzed by Scanning Electron Microscopy (SEM). Etch-and-rinse adhesive Adper(TM) Single Bond 2 yielded high bond strength when applied to both normal and caries-affected dentin. The two-step self-etching adhesive Clearfil SE Bond generated the highest bond strength to ND among all adhesives tested but a significantly reduced strength when applied to CAD. For the one-step self-etching adhesives, Clearfil S(3) Bond and iBond GI, the bond strength was relatively low regardless of the dentin type. SEM interfacial analysis revealed that hybrid layers were thicker with poorer resin tag formation and less resin-filled lateral branches in the CAD than in the ND for all the adhesives tested. The etch-and-rinse adhesive performed more effectively to caries-affected dentin than the self-etching adhesives.
Bonding Effectiveness of Luting Composites to Different CAD/CAM Materials.
Peumans, Marleen; Valjakova, Emilija Bajraktarova; De Munck, Jan; Mishevska, Cece Bajraktarova; Van Meerbeek, Bart
To evaluate the influence of different surface treatments of six novel CAD/CAM materials on the bonding effectiveness of two luting composites. Six different CAD/CAM materials were tested: four ceramics - Vita Mark II; IPS Empress CAD and IPS e.max CAD; Celtra Duo - one hybrid ceramic, Vita Enamic, and one composite CAD/CAM block, Lava Ultimate. A total of 60 blocks (10 per material) received various mechanical surface treatments: 1. 600-grit SiC paper; 2. sandblasting with 30-μm Al2O3; 3. tribochemical silica coating (CoJet). Subsequent chemical surface treatments involved either no further treatment (control), HF acid etching (HF), silanization (S, or HF acid etching followed by silanization (HF+S). Two specimens with the same surface treatment were bonded together using two dual-curing luting composites: Clearfil Esthetic Cement (self-etching) or Panavia SA Cement (self-adhesive). After 1 week of water storage, the microtensile bond strength of the sectioned microspecimens was measured and the failure mode was evaluated. The bonding performance of the six CAD/CAM materials was significantly influenced by surface treatment (linear mixed models, p < 0.05). The luting cement had a significant influence on bond strength for Celtra Duo and Lava Ultimate (linear mixed models, p < 0.05). Mechanical surface treatment significantly influenced the bond strength for Celtra Duo (p = 0.0117), IPS e.max CAD (p = 0.0115), and Lava Ultimate (p < 0.0001). Different chemical surface treatments resulted in the highest bond strengths for the six CAD/CAM materials: Vita Mark II and IPS Empress CAD: S, HF+S; Celtra Duo: HF, HF+S; IPS e.max CAD: HF+S; Vita Enamic: HF+S, S. For Lava Ultimate, the highest bond strengths were obtained with HF, S, HF+S. Failure analysis showed a relation between bond strength and failure type: more mixed failures were observed with higher bond strengths. Mainly adhesive failures were noticed if no further surface treatment was done. The percentage of
Bonding thermoplastic polymers
Wallow, Thomas I [Fremont, CA; Hunter, Marion C [Livermore, CA; Krafcik, Karen Lee [Livermore, CA; Morales, Alfredo M [Livermore, CA; Simmons, Blake A [San Francisco, CA; Domeier, Linda A [Danville, CA
2008-06-24
We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.
Study on the Connecting Length of CFRP
NASA Astrophysics Data System (ADS)
Liu, Xiongfei; Li, Yue; Li, Zhanguo
2018-05-01
The paper studied the varying mode of shear stress in the connecting zone of CFRP. Using epoxy resin (EP) as bond material, performance of specimens with different connecting length of CFRP was tested to obtain the conclusion. CFRP-confined concrete column was tested subsequently to verify the conclusion. The results show that: (1) The binding properties of modified epoxy resin with CFRP is good; (2) As the connecting length increased, the ultimate tensile strength of CFRP increased as well in the range of the experiment parameters; (3) Tensile strength of CFRP can reach the ultimate strength when the connecting length is 90mm;(4) The connecting length of 90mm of CFRP meet the reinforcement requirements.
The Changing Nature of the Chemical Bond
NASA Astrophysics Data System (ADS)
Angel, R. J.; Ross, N. L.; Zhao, J.
2006-12-01
It is commonly assumed that the relationship between bond strength and bond length for a particular pair of atoms is a simple and single-valued one for a given coordination environment; longer bonds are weaker. This is the basis of the concept of bond valence, for example. Indeed, in strongly-bonded oxide minerals, the range of bond lengths found for a given cation-anion polyhedron is so small that it was long thought that the polyhedral bulk moduli were essentially independent of structure type and thus the environment of the polyhedron. This view is incompatible with the discovery that the response of the perovskite structure to high pressures is controlled by the equipartition of bond-valence strain between the A and B cation sites within the structure [1]. The same appears to be true, within experimental uncertainties, for all framework structures with rigid-unit modes. In perovskites, this explicitly implies that the octahedral compressibility depends not only upon the octahedral cation, but also upon the compressibility of the cation-oxygen bonds of the extra-framework (nominally dodecahedral) site. Thus the octahedral compressibility of a B cation site must change as the A- site cation is changed, whether or not the B-O bond lengths change as a result of the substitution on the A site. The strength of bonds is thus dependent upon the crystal environment and not solely upon the bond length. The observation of a plateau effect in the variation of octahedral compressibilities in perovskite solid solutions suggests that the bond-valence matching principle is followed not just globally, but on a local scale as well. Such observations should allow the change with pressure of the excess thermodynamic properties of solid solutions to be directly related to the microscopic (atomic scale) evolution of the structure. [1] Zhao, Ross, & Angel (2004). Acta Cryst. B60:263
Sharma, Sudhir; Tandon, Pradeep; Nagar, Amit; Singh, Gyan P; Singh, Alka; Chugh, Vinay K
2014-01-01
Objectives: The objective of this study is to compare the shear bond strength (SBS) of stainless steel (SS) orthodontic brackets bonded with four different orthodontic adhesives. Materials and Methods: Eighty newly extracted premolars were bonded to 0.022 SS brackets (Ormco, Scafati, Italy) and equally divided into four groups based on adhesive used: (1) Rely-a-Bond (self-cure adhesive, Reliance Orthodontic Product, Inc., Illinois, USA), (2) Transbond XT (light-cure adhesive, 3M Unitek, CA, USA), (3) Transbond Plus (sixth generation self-etch primer, 3M Unitek, CA, USA) with Transbond XT (4) Xeno V (seventh generation self-etch primer, Dentsply, Konstanz, Germany) with Xeno Ortho (light-cure adhesive, Dentsply, Konstanz, Germany) adhesive. Brackets were debonded with a universal testing machine (Model No. 3382 Instron Corp., Canton, Mass, USA). The adhesive remnant index (ARI) was recordedIn addition, the conditioned enamel surfaces were observed under a scanning electron microscope (SEM). Results: Transbond XT (15.49 MPa) attained the highest bond strength. Self-etching adhesives (Xeno V, 13.51 MPa; Transbond Plus, 11.57 MPa) showed clinically acceptable SBS values and almost clean enamel surface after debonding. The analysis of variance (F = 11.85, P < 0.0001) and Chi-square (χ2 = 18.16, P < 0.05) tests revealed significant differences among groups. The ARI score of 3 (i.e., All adhesives left on the tooth) to be the most prevalent in Transbond XT (40%), followed by Rely-a-Bond (30%), Transbond Plus with Transbond XT (15%), and Xeno V with Xeno Ortho (10%). Under SEM, enamel surfaces after debonding of the brackets appeared porous when an acid-etching process was performed on the surfaces of Rely-a-Bond and Transbond XT, whereas with self-etching primers enamel presented smooth and almost clean surfaces (Transbond Plus and Xeno V group). Conclusion: All adhesives yielded SBS values higher than the recommended bond strength (5.9-7–8 MPa), Seventh generation
Continuum in the X-Z---Y weak bonds: Z= main group elements.
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. © 2015 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Ziss, Dorian; Martín-Sánchez, Javier; Lettner, Thomas; Halilovic, Alma; Trevisi, Giovanna; Trotta, Rinaldo; Rastelli, Armando; Stangl, Julian
2017-04-01
In this paper, strain transfer efficiencies from a single crystalline piezoelectric lead magnesium niobate-lead titanate substrate to a GaAs semiconductor membrane bonded on top are investigated using state-of-the-art x-ray diffraction (XRD) techniques and finite-element-method (FEM) simulations. Two different bonding techniques are studied, namely, gold-thermo-compression and polymer-based SU8 bonding. Our results show a much higher strain-transfer for the "soft" SU8 bonding in comparison to the "hard" bonding via gold-thermo-compression. A comparison between the XRD results and FEM simulations allows us to explain this unexpected result with the presence of complex interface structures between the different layers.
Ziss, Dorian; Martín-Sánchez, Javier; Lettner, Thomas; Halilovic, Alma; Trevisi, Giovanna; Trotta, Rinaldo; Rastelli, Armando; Stangl, Julian
2017-04-01
In this paper, strain transfer efficiencies from a single crystalline piezoelectric lead magnesium niobate-lead titanate substrate to a GaAs semiconductor membrane bonded on top are investigated using state-of-the-art x-ray diffraction (XRD) techniques and finite-element-method (FEM) simulations. Two different bonding techniques are studied, namely, gold-thermo-compression and polymer-based SU8 bonding. Our results show a much higher strain-transfer for the "soft" SU8 bonding in comparison to the "hard" bonding via gold-thermo-compression. A comparison between the XRD results and FEM simulations allows us to explain this unexpected result with the presence of complex interface structures between the different layers.
Öztürk, Elif; Bolay, Şükran; Hickel, Reinhard; Ilie, Nicoleta
2013-02-01
The aim of this study was to evaluate the shear bond strength of porcelain laminate veneers to 3 different surfaces by means of enamel, dentine, and enamel-dentine complex. One hundred thirty-five extracted human maxillary central teeth were used, and the teeth were randomly divided into 9 groups (n=15). The teeth were prepared with 3 different levels for bonding surfaces of enamel (E), dentine (D), and enamel-dentine complex (E-D). Porcelain discs (IPS e.max Press, Ivoclar Vivadent) of 2mm in thickness and 4mm in diameter were luted to the tooth surfaces by using 2 light-curing (RelyX Veneer [RV], 3M ESPE; Variolink Veneer [VV], Ivoclar Vivadent) and a dual-curing (Variolink II [V2], Ivoclar Vivadent) adhesive systems according to the manufacturers' instructions. Shear bond strength test was performed in a universal testing machine at 0.5mm/min until bonding failure. Failure modes were determined under a stereomicroscope, and fracture surfaces were evaluated with a scanning electron microscope. The data were statistically analysed (SPSS 17.0) (p=0.05). Group RV-D exhibited the lowest bond strength value (5.42±6.6MPa). There was statistically no difference among RV-D, V2-D (13.78±8.8MPa) and VV-D (13.84±6.2MPa) groups (p>0.05). Group VV-E exhibited the highest bond strength value (24.76±8.8MPa). The type of tooth structure affected the shear bond strength of the porcelain laminate veneers to the 3 different types of tooth structures (enamel, dentine, and enamel-dentine complex). When dentine exposure is necessary during preparation, enough sound enamel must be protected as much as possible to maintain a good bonding; to obtain maximum bond strength, preparation margins should be on sound enamel. Copyright © 2012 Elsevier Ltd. All rights reserved.
Ziss, Dorian; Martín-Sánchez, Javier; Lettner, Thomas; Halilovic, Alma; Trevisi, Giovanna; Trotta, Rinaldo; Rastelli, Armando; Stangl, Julian
2017-01-01
In this paper, strain transfer efficiencies from a single crystalline piezoelectric lead magnesium niobate-lead titanate substrate to a GaAs semiconductor membrane bonded on top are investigated using state-of-the-art x-ray diffraction (XRD) techniques and finite-element-method (FEM) simulations. Two different bonding techniques are studied, namely, gold-thermo-compression and polymer-based SU8 bonding. Our results show a much higher strain-transfer for the “soft” SU8 bonding in comparison to the “hard” bonding via gold-thermo-compression. A comparison between the XRD results and FEM simulations allows us to explain this unexpected result with the presence of complex interface structures between the different layers. PMID:28522879
Huang, Qiting; Garoushi, Sufyan; Lin, Zhengmei; He, Jingwei; Qin, Wei; Liu, Fang; Vallittu, Pekka Kalevi; Lassila, Lippo Veli Juhana
2017-10-01
To investigate the reinforcing efficiency and light curing properties of discontinuous S2-glass fiber-particulate reinforced resin composite and to examine length distribution of discontinuous S2-glass fibers after a mixing process into resin composite. Experimental S2-glass fiber-particulate reinforced resin composites were prepared by mixing 10wt% of discontinuous S2-glass fibers, which had been manually cut into two different lengths (1.5 and 3.0mm), with various weight ratios of dimethacrylate based resin matrix and silaned BaAlSiO 2 filler particulates. The resin composite made with 25wt% of UDMA/SR833s resin system and 75wt% of silaned BaAlSiO 2 filler particulates was used as control composite which had similar composition as the commonly used resin composites. Flexural strength (FS), flexural modulus (FM) and work of fracture (WOF) were measured. Fractured specimens were observed by scanning electron microscopy. Double bond conversion (DC) and fiber length distribution were also studied. Reinforcement of resin composites with discontinuous S2-glass fibers can significantly increase the FS, FM and WOF of resin composites over the control. The fibers from the mixed resin composites showed great variation in final fiber length. The mean aspect ratio of experimental composites containing 62.5wt% of particulate fillers and 10wt% of 1.5 or 3.0mm cutting S2-glass fibers was 70 and 132, respectively. No difference was found in DC between resin composites containing S2-glass fibers with two different cutting lengths. Discontinuous S2-glass fibers can effectively reinforce the particulate-filled resin composite and thus may be potential to manufacture resin composites for high-stress bearing application. Copyright © 2017. Published by Elsevier Ltd.
Baherimoghadam, Tahreh; Akbarian, Sahar; Rasouli, Reza; Naseri, Navid
2016-01-01
To evaluate shear bond strength (SBS) of the orthodontic brackets bonded to fluorosed and nonfluorosed teeth using Light Bond with and without adhesion promoters and compare their enamel damages following debonding. In this study, 30 fluorosed (Thylstrup and Fejerskov Index = 4-5) and 30 nonfluorosed teeth were randomly distributed between two subgroups according to the bonding materials: Group 1, fluorosed teeth bonded with Light Bond; Group 2, fluorosed teeth bonded with adhesion promoters and Light Bond; Group 3, nonfluorosed teeth bonded with Light Bond; Group 4, nonfluorosed bonded with adhesion promoters and Light Bond. After bonding, the SBS of the brackets was tested with a universal testing machine. Stereomicroscopic evaluation was performed by unbiased stereology in all teeth to determine the amount of adhesive remnants and the number and length of enamel cracks before bonding and after debonding. The data were analyzed using two-way analysis of variance, Kruskal-Wallis, Wilcoxon Signed Rank, and Mann-Whitney test. While fluorosis reduced the SBS of orthodontic bracket (P = 0.017), Enhance Locus Ceruleus LC significantly increased the SBS of the orthodontic bracket in fluorosed and nonfluorosed teeth (P = 0.039). Significant increasing in the number and length of enamel crack after debonding was found in all four groups. There were no significant differences in the length of enamel crack increased after debonding among four groups (P = 0.768) while increasing in the number of enamel cracks after debonding was significantly different among the four groups (P = 0.023). Teeth in Group 2 showed the highest enamel damages among four groups following debonding. Adhesion promoters could improve the bond strength of orthodontic brackets, but conservative debonding methods for decreasing enamel damages would be necessary.
Influence of dentinal regions on bond strengths of different adhesive systems.
Ozer, F; Unlü, N; Sengun, A
2003-06-01
This in vitro study assessed comparatively the shear bond strengths of three composite resins, 3M Valux Plus (3MVP), Herculite (H), Clearfil AP-X (CAP-X), a polyacid modified composite resin Dyract (D), and a resin modified glass-ionomer materials Vitremer (V), to cervical and buccal dentine regions of extracted human molar teeth. Four different bonding systems, 3M ScotchBond Multipurpose (SB), Clearfil Liner Bond 2 (LB2), Opti Bond (OB), and Prime & Bond 2.1 (PB 2.1) were used with the manufacturer's respective composite and compomer materials. One hundred freshly extracted mandibular molar teeth were selected for this study. Flat buccal dentine surfaces were created on 50 teeth and cylindrical rods of the five materials were bonded to the dentine surfaces. For assessment of cervical bond strengths, the materials were bonded to mesial and distal enamel bordered occlusal dentinal surfaces of the remaining 50 teeth. The five groups of restorative procedures were applied as follows; Group 1: SB + 3MVP, Group 2: LB2 + CAP-X, Group 3: OB + H, Group 4: PB2.1 + D, Group 5: Vitremer primer (VP) VP + V. Each restorative procedure thus had 20 specimens (10 buccal + 10 cervical). After 24 h of water storage (37 degrees C), the specimens were tested on a Universal Testing machine in shear with a cross head speed of 0.5 mm min-1. The bond strength values were calculated in MPa and the results were evaluated statistically using Kruskal-Wallis one-way/anova and Mann-Whitney U-tests. It was found that the bond strengths of SB + 3MVP, LB2 + CAP-X and VP + V to buccal dentine surfaces were significantly stronger (P < 0.05) than those to the occluso-cervical dentine floors. When the bond strengths to the occluso-cervical dentine and buccal dentine surface were compared, there was no significant difference between the materials (P > 0.05). Vitremer was found the least successful adhesive material in terms of shear bond strength on both buccal and occluso-cervical dentine surfaces.
The effect of the length of macro synthetic fibres on their performance in concrete
NASA Astrophysics Data System (ADS)
Juhász, K. P.; Kis, V.
2017-09-01
Nowadays macro synthetic fibres are able to compete with steel fibres despite their low Youngs Modulus. This is due to their different pull-out mechanism and a larger number of individual fibres per kilo compared to steel fibres. Macro synthetic fibres bond to the concrete along their full length, usually with an embossed surface, while steel fibres are mostly anchored by their hooked ends. If the bond is defined by the length of the embossed surface, logically the longer the synthetic fibre the higher post-crack capacity. In this paper the same type of macro synthetic fibre was researched with different lengths but at the same dosage. The consistency of the fresh concrete together with the quality of the distribution of the fibres have been analysed and compared with the residual strength. After analysing these data the optimum fibre length was able to be determined.
Öztürk, Fırat; Ersöz, Mustafa; Öztürk, Seyit Ahmet; Hatunoğlu, Erdem; Malkoç, Sıddık
2016-04-01
The aim of this study was to evaluate microleakage under orthodontic ceramic brackets bonded with direct and different indirect bonding techniques and adhesives using micro-computed tomography. A total of 30 human maxillary premolars were randomly separated into five groups with six teeth in each group. In group I, teeth were bonded directly with Transbond XT (3M Unitek). In group II, group III, group IV, and group V, teeth were bonded through an indirect technique with Custom I.Q. (Reliance Orthodontic Products), Sondhi Rapid-Set (3M Unitek), RMbond (RMO), and Transbond IDB (3M Unitek), respectively, following the manufacturer's instructions. Micro-CT system model 1172 of Skyscan (Kontich, Belgium) was used to scan all samples. NRecon (Skyscan) version 1.6, CT-Analyser V.1.11 (Skyscan), and TView (SkyScan, Bvba) software programs were used for microleakage evaluation. Microleakage values between the test groups were assessed using the Kruskal-Wallis test, while the Wilcoxon signed rank test was used for within-group comparisons. The level of significance was set at P < 0.05. According to the Kruskal-Wallis analysis of variance test, there were no significant differences among the tested groups, with regard to volume and percentage (microleakage/region of interest × 100) of microleakage values (P < 0.05). The Wilcoxon signed rank test showed that coronal microleakage volume and percentage values significantly differed for RMbond and Transbond IDB groups. In the study, only ceramic brackets were used and microleakage into mini gaps did not show up on the micro-CT image because 50% silver nitrate solution could not penetrate into mini gaps which are smaller than silver nitrate particles. Use of direct and indirect bonding techniques with different adhesives did not significantly affect the amount of microleakage. © The Author 2015. Published by Oxford University Press on behalf of the European Orthodontic Society. All rights reserved. For permissions, please email
Effect of intrinsic wetness and regional difference on dentin bond strength.
Pereira, P N; Okuda, M; Sano, H; Yoshikawa, T; Burrow, M F; Tagami, J
1999-01-01
The aim of this investigation was to determine the influence of intrinsic wetness on regional bond strengths of adhesive resins to dentin. Human caries-free third molars were randomly divided into three groups for bonding: Group 1--no pulpal pressure; Group 2--pulpal pressure of 15 cm H2O; and Group 3--dentin dried overnight in a desiccator. Clearfil Liner Bond II (Kuraray) or One Step (Bisco) adhesive resins systems were applied to the flat dentin surfaces and the teeth were restored with APX resin composite (Kuraray). After 24 h in water at 37 degrees C, the specimens were sectioned into 0.7 mm thick slabs and divided into three regional subgroups according to the remaining dentin thickness and visual criteria: pulp horn, center, and periphery. The slabs were then trimmed for the micro-tensile bond test and subjected to a tensile force and crosshead of 1 mm/min. The data were analyzed with ANOVA and Fisher's PLSD test at a confidence level of 95%. The fracture modes were determined under a scanning electron microscope (JXA-840, JEOL, Japan). No significant regional difference was observed for the Group 1 and 2 specimens restored with Clearfil Liner Bond II (p > 0.05). However, bond strengths significantly decreased at the pulp horn region of the Group 1 and 2 specimens restored with One Step (p > 0.01). All bond strengths of Group 3 decreased significantly and regional differences were not evident (p > 0.05). The dentin adhesive system should be chosen according to the substrate and region to be bonded, since bond strengths can vary according to the intrinsic wetness, region, and the adhesive system.
Bond breaking in epoxy systems: A combined QM/MM approach
DOE Office of Scientific and Technical Information (OSTI.GOV)
Barr, Stephen A.; Ecker, Allison M.; Berry, Rajiv J., E-mail: Rajiv.Berry@us.af.mil
2016-06-28
A novel method to combine quantum mechanics (QM) and molecular mechanics has been developed to accurately and efficiently account for covalent bond breaking in polymer systems under high strain without the use of predetermined break locations. Use of this method will provide a better fundamental understanding of the mechano-chemical origins of fracture in thermosets. Since classical force fields cannot accurately account for bond breaking, and QM is too demanding to simulate large systems, a hybrid approach is required. In the method presented here, strain is applied to the system using a classical force field, and all bond lengths are monitored.more » When a bond is stretched past a threshold value, a zone surrounding the bond is used in a QM energy minimization to determine which, if any, bonds break. The QM results are then used to reconstitute the system to continue the classical simulation at progressively larger strain until another QM calculation is triggered. In this way, a QM calculation is only computed when and where needed, allowing for efficient simulations. A robust QM method for energy minimization has been determined, as well as appropriate values for the QM zone size and the threshold bond length. Compute times do not differ dramatically from classical molecular mechanical simulations.« less
Liu, Jian; Pedroza, Luana S; Misch, Carissa; Fernández-Serra, Maria V; Allen, Philip B
2014-07-09
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.
NASA Astrophysics Data System (ADS)
El-Sonbati, A. Z.; Diab, M. A.; Morgan, Sh. M.; Seyam, H. A.
2018-02-01
Novel dioxouranium (VI) heterochelates with neutral bidentate compounds (Ln) have been synthesized. The ligands and the heterochelates [UO2(Ln)2(O2NO)2] were confirmed and characterized by elemental analysis, 1H NMR, UV.-Vis, IR, mass spectroscopy, X-ray diffraction and thermogravimetric analysis (TGA). IR spectral data suggest that the molecules of the Schiff base are coordinated to the central uranium atom (ON donor). The nitrato groups are coordinated as bidentate ligands. The thermodynamic parameters were calculated using Coats-Redfern and Horowitz-Metzger methods. The ligands (Ln) and their complexes (1-3) showed the υ3 frequency of UO22+ has been shown to be an excellent molecular probe for studying the coordinating power of the ligands. The values of υ3 of the prepared complexes containing UO22+ were successfully used to calculate the force constant, FUO (1n 10-8N/Å) and the bond length RUO (Å) of the Usbnd O bond. A strategy based upon both theoretical and experimental investigations has been adopted. The theoretical aspects are described in terms of the well-known theory of 5d-4f transitions. Wilson's, matrix method, Badger's formula, and Jones and El-Sonbati equations were used to calculate the Usbnd O bond distances from the values of the stretching and interaction force constants. The most probable correlation between Usbnd O force constant to Usbnd O bond distance were satisfactorily discussed in term of Badger's rule and the equations suggested by Jones and El-Sonbati. The effect of Hammett's constant is also discussed.
Vector-based model of elastic bonds for simulation of granular solids.
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.
Sexton, Catherine J; López-Serrano, Joaquín; Lledós, Agustí; Duckett, Simon B
2008-10-21
Low temperature UV irradiation of solutions of (eta(5)-C(5)Me(5))Rh(CH(2)[double bond, length as m-dash]CHMe)(2) yields (eta(5)-C(5)Me(5))Rh(eta(3)-CH(2)CHCH(2))(H), which provides controlled access to the 16-electron fragment (eta(5)-C(5)Me(5))Rh(CH(2)[double bond, length as m-dash]CHMe).
Repeated bonding of fixed retainer increases the risk of enamel fracture.
Chinvipas, Netrporn; Hasegawa, Yuh; Terada, Kazuto
2014-01-01
The aim of this study was to investigate the influences of repeated bonding, using 2 different orthodontic adhesive systems, on the shear bond strength (SBS) and the enamel surface morphology. Sixty premolars were divided into 2 groups (n = 30), and either Transbond XT (T group) or Fuji Ortho LC (F group) adhesives were used. SBS was measured 24 h after bonding, using a universal testing machine. Then, the enamel surfaces were investigated and the mode of failure was described using adhesive remnant index (ARI) scores. After each debonding, 10 teeth from each group were examined by scanning electron microscopy to determine the penetration of adhesives, the length of resin tags, and the state of the enamel surface. The other teeth were subjected to two more bonding/debonding procedures. In T group, the second debonding sequences had significantly higher bond strengths than the other sequences. The length of resin tags was greatest in the second debonding sequence, although there was no significant difference. In F group, the SBS increased with further rebonding and the failure mode tended towards cohesive failure. In both groups, the ARI scores increased with rebonding. Enamel loss could have occurred with both adhesives, although the surfaces appeared unchanged to the naked eye. From this study, we suggest that enamel damage caused by repeated bonding is of concern. To prevent bond failure, we should pay attention to the adhesion method used for bondable retainers.
Effects of different preparation procedures during tooth whitening on enamel bonding.
Wilson, Dustin; Xu, Changqi; Hong, Liang; Wang, Yong
2009-04-01
The objective of this study was to assess effects of some clinically related preparation procedures during tooth whitening on enamel bonding properties. Sixty-two extracted human teeth were cleaned and divided into four groups. Forty-two of the teeth were left with their natural surface intact while 20 teeth were polished to form a flat surface. Half of the tooth served as the experimental side and received one of the two whitening products: Opalescence (10% carbamide peroxide) and Crest Whitestrips (6.5% hydrogen peroxide), for 2 weeks. Post-bleaching intervals included: 1 day, 1 week, and 2 weeks. On these days, tooth (10 mm x 1.5 mm x 1.5 mm) sections were evaluated using Raman spectroscopy, scanning electron microscopy and tensile bond strength tests. T-test, ANOVA test, and mixed model regression analysis were used to assess the differences. No significant difference existed between natural surface and polished surface teeth for all groups at both Day One and Week Two (P > 0.05). On Day One, both treated groups had significant lower bond strength than the control group (P = 0.002). After 2 weeks, no significant difference existed between any group (P = 0.381). SEM indicated that resin-enamel interfaces in bleached enamel exhibited more defects in granular formations when compared to the control. Raman results indicated a lower degree of polymerization (DP) of adhesive at the interface for treated teeth surfaces. In summary, pre-bleaching surface treatments such as polish or non-polish, had no effect on bond strength. Bleaching significantly decreased bond strength initially, but after 2 weeks, bleaching had no significant effect on bond strength. Storage time had significant effect on Opalescence treated enamel, but not on control and Whitestrip treated enamel. The decrease of bond strength may be related to interfacial defects and low DP due to oxygen release after bleaching.
Chauhan, Vikas; Kumar, Piush; Sharma, Payal; Shetty, Divya
2017-01-01
To investigate the effect of different intracoronal bleaching methods on the shear bond strength and site of failure of ceramic brackets. Sixty freshly extracted human maxillary incisors were randomly divided into four groups ( n = 15). Endodontic access cavity was prepared and root canals were filled, root fillings were removed 2mm apical to the cementoenamel junction, and a 2-mmthick layer of glass ionomer cement base was applied. Group 1 served as the control. Intracoronal bleaching was performed with 35% carbamide peroxide in group 2, sodium perborate in group 3, and 37.5% hydrogen peroxide in group 4. The teeth were immersed in artificial saliva for 4 weeks before bracket bonding. Ceramic brackets were bonded with composite resin and cured with LED light. After bonding, the shear bond strength of the brackets was tested with a universal testing machine. The site of bond failure was determined by modified ARI (Adhesive Remnant Index). The highest value of shear bond strength was measured in control group (18.67 ± 1.59 MPa), which was statistically significant from groups 2,3, and 4. There was no significant difference between groups 2 and 4. The lowest shear bond strength was measured in group 3. ARI scores were not significant from each other. Intracoronal bleaching significantly affected the shear bond strength of ceramic brackets even after 4 weeks of bleaching. Bleaching with sodium perborate affects shear bond strength more adversely than does bleaching with other agents like hydrogen peroxide and carbamide peroxide.
Abreu, Amara; Loza, Maria A; Elias, Augusto; Mukhopadhyay, Siuli; Looney, Stephen; Rueggeberg, Frederick A
2009-02-01
The ability of a resin cement to bond to a restorative alloy is critical for maximal crown retention to nonideal preparations. Surface treatment and metal type may have an important role in optimizing resin-to-metal strength. The purpose of this study was to examine the effect of surface pretreatment on the tensile strength of base and noble metals bonded using a conventional resin cement. Cylindrical plastic rods (9.5 mm in diameter), cast in base (Rexillium NBF) or noble metal (IPS d.SIGN 53), were divided into rods 10 mm in length (n=10-12). Specimens were heated in a porcelain furnace to create an oxide layer. Test specimens were further subjected to airborne-particle abrasion (50-microm Al(2)O(3) particles) alone or with the application of a metal primer (Alloy Primer). Similarly treated rod ends were joined using resin cement (RelyX ARC), thermocycled (x500, 5 degrees -55 degrees C) and stored (24 hours, 37 degrees C) before debonding using a universal testing machine. Debond strength and failure site were recorded. Rank-based ANOVA for unbalanced designs was used to test for significant interaction (alpha=.050). Each pair of treatments was compared separately for each metal (Bonferroni-adjusted significance level of .0083, overall error rate for comparisons, .05). The 2 metals were compared separately for each of the 3 treatments using an adjusted significance level of .017, maintaining an overall error rate of .05. A multinomial logit model was used to describe the effect of metal type and surface pretreatment on failure site location (alpha=.05). Interaction between metal type and surface pretreatment was significant for stress values (P=.019). Metal type did not significantly affect tensile bond strength for any of the compared surface pretreatments. Metal primer significantly improved tensile bond strength for each metal type. Most failures tended to occur as either adhesive or mixed in nature. Metal primer application significantly enhanced tensile bond
da Cunha, Sandra Ribeiro de Barros; Ramos, Pedro Augusto Minorin Mendes; Haddad, Cecília Maria Kalil; da Silva, João Luis Fernandes; Fregnani, Eduardo Rodrigues; Aranha, Ana Cecília Corrêa
2016-01-01
To evaluate the effects of three different radiation doses on the bond strengths of two different adhesive systems to enamel and dentin. Eighty human third molars were randomly divided into four groups (n = 20) according to the radiation dose (control/no radiation, 20 Gy, 40 Gy, and 70 Gy). The teeth were sagittally sectioned into three slices: one mesial and one distal section containing enamel and one middle section containing dentin. The sections were then placed in the enamel and dentin groups, which were further divided into two subgroups (n = 10) according to the adhesive used. Three restorations were performed in each tooth (one per section) using Adper Single Bond 2 (3M ESPE) or Universal Single Bond (3M ESPE) adhesive system and Filtek Z350 XT (3M ESPE) resin composite and subjected to the microshear bond test. Data were analyzed using a two-way ANOVA followed by Tukey's test. Failure modes were examined under a stereoscopic loupe. Radiotherapy did not affect the bond strengths of the adhesives to either enamel or dentin. In dentin, the Universal Single Bond adhesive system showed higher bond strength values when compared with the Adper Single Bond adhesive system. More adhesive failures were observed in the enamel for all radiation doses and adhesives. Radiotherapy did not influence the bond strength to enamel or dentin, irrespective of the adhesive or radiation dose used.
Lopes, Stella Crosara; Pagnano, Valéria Oliveira; Rollo, João Manuel Domingos de Almeida; Leal, Mônica Barbosa; Bezzon, Osvaldo Luiz
2009-01-01
The purpose of this study was to evaluate the metal-ceramic bond strength (MCBS) of 6 metal-ceramic pairs (2 Ni-Cr alloys and 1 Pd-Ag alloy with 2 dental ceramics) and correlate the MCBS values with the differences between the coefficients of linear thermal expansion (CTEs) of the metals and ceramics. Verabond (VB) Ni-Cr-Be alloy, Verabond II (VB2), Ni-Cr alloy, Pors-on 4 (P), Pd-Ag alloy, and IPS (I) and Duceram (D) ceramics were used for the MCBS test and dilatometric test. Forty-eight ceramic rings were built around metallic rods (3.0 mm in diameter and 70.0 mm in length) made from the evaluated alloys. The rods were subsequently embedded in gypsum cast in order to perform a tensile load test, which enabled calculating the CMBS. Five specimens (2.0 mm in diameter and 12.0 mm in length) of each material were made for the dilatometric test. The chromel-alumel thermocouple required for the test was welded into the metal test specimens and inserted into the ceramics. ANOVA and Tukey's test revealed significant differences (p=0.01) for the MCBS test results (MPa), with PI showing higher MCBS (67.72) than the other pairs, which did not present any significant differences. The CTE (10-6 °C-1) differences were: VBI (0.54), VBD (1.33), VB2I (-0.14), VB2D (0.63), PI (1.84) and PD (2.62). Pearson's correlation test (r=0.17) was performed to evaluate of correlation between MCBS and CTE differences. Within the limitations of this study and based on the obtained results, there was no correlation between MCBS and CTE differences for the evaluated metal-ceramic pairs. PMID:19274398
Ritsema, Melanie
2016-01-01
PURPOSE Examine factors common in the environments of children who obtain services from a WIC program to determine if differences in ecological/environmental factors can be found in the children who differ in weight, length, and weight for length. DESIGN AND METHODS Cross-sectional study of 300 children, 100 each who were stunted, normal weight for length, or overweight. Instruments used were NCATS, ARSMA II, 24-hr diet recall, and Baecke Activity Questionnaire. RESULTS Significant differences were present in children’s diet, parents’ BMI, parents’ generation in United States, parents’ activity levels, and maternal–child relationship. PRACTICE IMPLICATIONS Encourage parents to adopt family approaches to encourage normal body size in children. PMID:18638046
Chen, Xiaoyan; Sun, Congting; Wu, Sixin; Xue, Dongfeng
2017-03-29
Rare earth ions can be used to construct a variety of novel structures and are favorable to chemical bonding regulation and design. In this study, the chemical bonding paradigm between rare earth ions (Ln 3+ ) and urea molecules in an aqueous solution can be tracked by the evolution of C[double bond, length as m-dash]O, NH 2 , and CN vibration bands during the urea nucleation stage. Rare earth ions such as La 3+ , Gd 3+ , and Lu 3+ can manipulate the nucleation time of urea via regulating the nucleation-dependant N-C[double bond, length as m-dash]OH-N hydrogen-bonding between urea molecules. Two types of chemical bondings between Ln 3+ and urea molecules have been confirmed, which are Ln 3+ O[double bond, length as m-dash]C-N and Ln 3+ NH 2 -C. Compared with Ln 3+ NH 2 -C, Ln 3+ prefers to coordinate with the O[double bond, length as m-dash]C bond in urea. With a higher concentration of rare earth ions in the solution, some N-C[double bond, length as m-dash]OH-N hydrogen bonds are broken as a consequence of the incorporation of Ln 3+ into the lattice, resulting in the decreased symmetry of local urea molecules in the crystalline nuclei and the consequent Ln 3+ concentration-dependent nucleation time of urea. Moreover, using the ionic electronegativity scale of Ln 3+ , the different effects of La 3+ , Gd 3+ , and Lu 3+ on urea nucleation can be further distinguished. The present study provides basic data for unrevealing the chemical bonding regulation role of rare earth ions in the formation of hydrogen bonded materials, which may give insight into the design and fabrication of novel materials utilizing rare earth ions to adjust the chemical bonding process.
Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.
2013-02-21
The bonded radii for more than 550 bonded pairs of atoms, comprising more than 50 crystals, determined from experimental and theoretical electron density distributions, are compared with the effective ionic, ri(M), and crystal radii, rc(M), for metal atoms, M, bonded to O atoms. At odds with the fixed ionic radius of 1.40 Å, assumed for the O atom in the compilation of the ionic radii, the bonded radius for the atom, rb(O), is not fixed but displays a relatively wide range of values as the O atom is progressively polarized by the M-O bonded interactions: as such, rb(O) decreases systematicallymore » from 1.40 Å (the Pauling radius of the oxide anion) as bond lengths decrease when bonded to an electropositive atom like sodium, to 0.64 Å (Bragg’s atomic radius of the O atom) when bonded to an electronegative atom like nitrogen. Both rb(M) and rb(O) increase in tandum with the increasing coordination number of the M atom. The bonded radii of the M atoms are highly correlated with both ri(M) and rc(M), but they both depart systematically from rb(M) and become smaller as the electronegativity of the M atom increases and the M-O bond length decreases. The well-developed correlations between both sets of radii and rb(M) testifies to the relative precision of both sets of radii and the fact that both sets are highly correlated the M-O bond 1 lengths. On the other hand, the progressive departure of rb(O) from the fixed ionic radius of the O atom with the increasing electronegativity of the bonded M atom indicates that any compilation of sets of ionic radii, assuming that the radius for the oxygen atom is fixed in value, is problematical and impacts on the accuracy of the resulting sets of ionic and crystal radii thus compiled. The assumption of a fixed O atom radius not only results in a negative ionic radii for several atoms, but it also results in values of rb(M) that are much as ~ 0.6 Å larger than the ri(M) and rc(M) values, respectively, particularly for the
Pauling, L
1976-02-01
An expression is derived for the bond length of two spd orbitals with maximum values in two directions forming a given bond angle by consideration of the nonorthogonality integral of two best orbitals in these directions. This equation is equivalent to the expression derived by formulating the pair of orthogonal orbitals. Similar expressions are derived for spdf orbitals. Applications are made to icosahedral and cuboctahedral bonds and to the packing of nucleons in atomic nuclei.
NASA Astrophysics Data System (ADS)
Ghasemifard, Mahdi; Ghamari, Misagh; Okay, Cengiz
2018-01-01
In the current study, ABO3 (A = Pb, Ba, Sr and B = Ti) perovskite structures are produced by the auto-combustion route by using citric acid (CA) and nitric acid (NA) as fuel and oxidizer. The X-ray diffraction (XRD) patterns confirmed the perovskite nanostructure with cubic, tetragonal, and rhombohedral for SrTiO3, PbTiO3, and BaTiO3, respectively. Using Scherrer’s equation and XRD pattern, the average crystallite size of the samples were acquired. The effect of Ti-O bond length on the structure of the samples was evaluated. The type of structures obtained depends on Ti-O bond length which is in turn influenced by A2+ substitutions. Microstructural studies of nanostructures calcined at 850∘C confirmed the formation of polyhedral particles with a narrow size distribution. The values of optical band gaps were measured and the impact of A2+ was discussed. The optical properties such as the complex refractive index and dielectric function were calculated by IR spectroscopy and Kramers-Kronig (K-K) relations. Lead, as the element with the highest density as compared to other elements, changes the optical constants, remarkably due to altering titanium and oxygen distance in TO6 groups.
Bonding effectiveness to different chemically pre-treated dental zirconia.
Inokoshi, Masanao; Poitevin, André; De Munck, Jan; Minakuchi, Shunsuke; Van Meerbeek, Bart
2014-09-01
The objective of this study was to evaluate the effect of different chemical pre-treatments on the bond durability to dental zirconia. Fully sintered IPS e.max ZirCAD (Ivoclar Vivadent) blocks were subjected to tribochemical silica sandblasting (CoJet, 3M ESPE). The zirconia samples were additionally pre-treated using one of four zirconia primers/adhesives (Clearfil Ceramic Primer, Kuraray Noritake; Monobond Plus, Ivoclar Vivadent; Scotchbond Universal, 3M ESPE; Z-PRIME Plus, Bisco). Finally, two identically pre-treated zirconia blocks were bonded together using composite cement (RelyX Ultimate, 3M ESPE). The specimens were trimmed at the interface to a cylindrical hourglass and stored in distilled water (7 days, 37 °C), after which they were randomly tested as is or subjected to mechanical ageing involving cyclic tensile stress (10 N, 10 Hz, 10,000 cycles). Subsequently, the micro-tensile bond strength was determined, and SEM fractographic analysis performed. Weibull analysis revealed the highest Weibull scale and shape parameters for the 'Clearfil Ceramic Primer/mechanical ageing' combination. Chemical pre-treatment of CoJet (3M ESPE) sandblasted zirconia using Clearfil Ceramic Primer (Kuraray Noritake) and Monobond Plus (Ivoclar Vivadent) revealed a significantly higher bond strength than when Scotchbond Universal (3M ESPE) and Z-PRIME Plus (Bisco) were used. After ageing, Clearfil Ceramic Primer (Kuraray Noritake) revealed the most stable bond durability. Combined mechanical/chemical pre-treatment, the latter with either Clearfil Ceramic Primer (Kuraray Noritake) or Monobond Plus (Ivoclar Vivadent), resulted in the most durable bond to zirconia. As a standard procedure to durably bond zirconia to tooth tissue, the application of a combined 10-methacryloyloxydecyl dihydrogen phosphate/silane ceramic primer to zirconia is clinically highly recommended.
NASA Astrophysics Data System (ADS)
Ibrahim, Nor Nurulhuda Md.; Hussain, Patthi; Awang, Mokhtar
2015-07-01
Sialon and AISI 420 martensitic stainless steel were diffusion bonded in order to study the effect of bonding time on reaction layer's growth. Joining of these materials was conducted at 1200°C under a uniaxial pressure of 17 MPa in a vacuum ranging from 5.0 to 8.0×10-6 Torr with bonding time varied for 0.5, 2, and 3 h. Thicker reaction layer was formed in longer bonded sample since the elements from sialon could diffuse further into the steel. Sialon retained its microstructure but it was affected at the initial contact with the steel to form the new interface layer. Diffusion layer grew toward the steel and it was segregated with the parent steel as a result of the difference in properties between these regions. The segregation formed a stream-like structure and its depth decreased when the bonding time was increased. The microstructure of the steel transformed into large grain size with precipitates. Prolonging the bonding time produced more precipitates in the steel and reduced the steel thickness as well. Interdiffusions of elements occurred between the joined materials and the concentrations were decreasing toward the steel and vice versa. Silicon easily diffused into the steel because it possessed lower ionization potential compared to nitrogen. Formation of silicide and other compounds such as carbides were detected in the interface layer and steel grain boundary, respectively. These compounds were harmful due to silicide brittleness and precipitation of carbides in the grain boundary might cause intergranular corrosion cracking. Sialon retained its hardness but it dropped very low at the interface layer. The absence of crack at the joint in all samples could be contributed from the ductility characteristic of the reaction layer which compensated the residual stress that was formed upon the cooling process.
Infrared Spectroscopic Investigation on CH Bond Acidity in Cationic Alkanes
NASA Astrophysics Data System (ADS)
Matsuda, Yoshiyuki; Xie, Min; Fujii, Asuka
2016-06-01
We have demonstrated large enhancements of CH bond acidities in alcohol, ether, and amine cations through infrared predissociation spectroscopy based on the vacuum ultraviolet photoionization detection. In this study, we investigate for the cationic alkanes (pentane, hexane, and heptane) with different alkyl chain lengths. The σ electrons are ejected in the ionization of alkanes, while nonbonding electrons are ejected in ionization of alcohols, ethers, and amines. Nevertheless, the acidity enhancements of CH in these cationic alkanes have also been demonstrated by infrared spectroscopy. The correlations of their CH bond acidities with the alkyl chain lengths as well as the mechanisms of their acidity enhancements will be discussed by comparison of infrared spectra and theoretical calculations.
Pauling, Linus; Kamb, Barclay
1986-01-01
An earlier discussion [Pauling, L. (1947) J. Am. Chem. Soc. 69, 542] of observed bond lengths in elemental metals with correction for bond number and resonance energy led to a set of single-bond metallic radii with values usually somewhat less than the corresponding values obtained from molecules and complex ions. A theory of resonating covalent bonds has now been developed that permits calculation of the number of resonance structures per atom and of the effective resonance energy per bond. With this refined method of correcting the observed bond lengths for the effect of resonance energy, a new set of single-bond covalent radii, in better agreement with values from molecules and complex ions, has been constructed. PMID:16593698
Composite-composite repair bond strength: effect of different adhesion primers.
Tezvergil, A; Lassila, L V J; Vallittu, P K
2003-11-01
Recently, new products have been introduced to repair composite restorations that may be used as 'one-step' primers or monomers and silane compounds which are used separately as 'multi-step' primers. The aim of this study was to compare the shear bond strength of the new composite resin to aged composite, by using different adhesion primers. The substrates were particulate filler composite (Z250, 3M-ESPE), which was aged by boiling for 8 h and storing at 37 degrees C in water for 3 weeks. The aged substrate surfaces were wet-ground flat with 320-grit silicon carbide paper and subjected randomly (n=8) to either one-step adhesion primer: Compoconnect (CC) (Heraus Kulzer), or multi-step: Clearfil Repair (CF) (Kuraray) or an intermediate resin: Scothchbond Multi-purpose adhesive resin (3M-ESPE) according to the manufacturers' recommendations. Specimens with no surface treatment were used as control (C). New composite resin (Z250) was added to the substrate using 2 mm layer increments and light cured. The specimens were either water stored for 48 h or water stored for 24 h and then thermocycled for 6000 cycles. The shear bond strengths were measured with a crosshead speed of 1.0 mm/min using a universal testing machine. Data were analysed by two-way ANOVA and Tukey's post-hoc tests (p=0.05). All surface treatment methods showed significant difference compared to control (p<0.05). CF showed higher bond strength than CC and MP (p<0.05). Storage condition did not show a significant difference (p>0.05) in bond strength values. It was concluded that multi-step adhesion primer yielded higher bond strength compared to one-step primer or intermediate resin.
Pauling, Linus
1976-01-01
An expression is derived for the bond length of two spd orbitals with maximum values in two directions forming a given bond angle by consideration of the nonorthogonality integral of two best orbitals in these directions. This equation is equivalent to the expression derived by formulating the pair of orthogonal orbitals. Similar expressions are derived for spdf orbitals. Applications are made to icosahedral and cuboctahedral bonds and to the packing of nucleons in atomic nuclei. PMID:16578736
Saraç, Y Şinasi; Külünk, Tolga; Elekdağ-Türk, Selma; Saraç, Duygu; Türk, Tamer
2011-12-01
The aims of this study were to investigate the effects of two surface-conditioning methods on the shear bond strength (SBS) of metal brackets bonded to three different all-ceramic materials, and to evaluate the mode of failure after debonding. Twenty feldspathic, 20 fluoro-apatite, and 20 leucite-reinforced ceramic specimens were examined following two surface-conditioning methods: air-particle abrasion (APA) with 25 μm Al(2)O(3) and silica coating with 30 μm Al(2)O(3) particles modified by silica. After silane application, metal brackets were bonded with light cure composite and then stored in distilled water for 1 week and thermocycled (×1000 at 5-55°C for 30 seconds). The SBS of the brackets was measured on a universal testing machine. The ceramic surfaces were examined with a stereomicroscope to determine the amount of composite resin remaining using the adhesive remnant index. Two-way analysis of variance, Tukey's multiple comparison test, and Weibull analysis were used for evaluation of SBS. The lowest SBS was with APA for the fluoro-apatite ceramic (11.82 MPa), which was not significantly different from APA for the feldspathic ceramic (13.58 MPa). The SBS for the fluoro-apatite ceramic was significantly lower than that of leucite-reinforced ceramic with APA (14.82 MPa). The highest SBS value was obtained with silica coating of the leucite-reinforced ceramic (24.17 MPa), but this was not significantly different from the SBS for feldspathic and fluoro-apatite ceramic (23.51 and 22.18 MPa, respectively). The SBS values with silica coating showed significant differences from those of APA. For all samples, the adhesive failures were between the ceramic and composite resin. No ceramic fractures or cracks were observed. Chairside tribochemical silica coating significantly increased the mean bond strength values.
Daniel J. Yelle; Ashley M. Stirgus
2016-01-01
Studying wood adhesive bond durability is challenging because wood is highly variable and heterogeneous at all length scales. In this study, three North American diffuse-porous hardwoods (hard maple, soft maple, and basswood) and their adhesively bonded as-semblies were exposed to wet and dry cyclic tests. Then, their den-sity differences were related to bond...
Hydrogen bond asymmetric local potentials in compressed ice.
Huang, Yongli; Ma, Zengsheng; Zhang, Xi; Zhou, Guanghui; Zhou, Yichun; Sun, Chang Q
2013-10-31
A combination of the Lagrangian mechanics of oscillators vibration, molecular dynamics decomposition of volume evolution, and Raman spectroscopy of phonon relaxation has enabled us to resolve the asymmetric, local, and short-range potentials pertaining to the hydrogen bond (O:H-O) in compressed ice. Results show that both oxygen atoms in the O:H-O bond shift initially outwardly with respect to the coordination origin (H), lengthening the O-O distance by 0.0136 nm from 0.2597 to 0.2733 nm by Coulomb repulsion between electron pairs on adjacent oxygen atoms. Both oxygen atoms then move toward right along the O:H-O bond by different amounts upon being compressed, approaching identical length of 0.11 nm. The van der Waals potential VL(r) for the O:H noncovalent bond reaches a valley at -0.25 eV, and the lowest exchange VH(r) for the H-O polar-covalent bond is valued at -3.97 eV.
Lee, Ji-Yeon; Ahn, Jaechan; An, Sang In; Park, Jeong-Won
2018-02-01
The aim of this study is to compare the shear bond strengths of ceramic brackets bonded to zirconia surfaces using different zirconia primers and universal adhesive. Fifty zirconia blocks (15 × 15 × 10 mm, Zpex, Tosoh Corporation) were polished with 1,000 grit sand paper and air-abraded with 50 µm Al 2 O 3 for 10 seconds (40 psi). They were divided into 5 groups: control (CO), Metal/Zirconia primer (MZ, Ivoclar Vivadent), Z-PRIME Plus (ZP, Bisco), Zirconia Liner (ZL, Sun Medical), and Scotchbond Universal adhesive (SU, 3M ESPE). Transbond XT Primer (used for CO, MZ, ZP, and ZL) and Transbond XT Paste was used for bracket bonding (Gemini clear ceramic brackets, 3M Unitek). After 24 hours at 37°C storage, specimens underwent 2,000 thermocycles, and then, shear bond strengths were measured (1 mm/min). An adhesive remnant index (ARI) score was calculated. The data were analyzed using one-way analysis of variance and the Bonferroni test ( p = 0.05). Surface treatment with primers resulted in increased shear bond strength. The SU group showed the highest shear bond strength followed by the ZP, ZL, MZ, and CO groups, in that order. The median ARI scores were as follows: CO = 0, MZ = 0, ZP = 0, ZL = 0, and SU = 3 ( p < 0.05). Within this experiment, zirconia primer can increase the shear bond strength of bracket bonding. The highest shear bond strength is observed in SU group, even when no primer is used.
2018-01-01
Objectives The aim of this study is to compare the shear bond strengths of ceramic brackets bonded to zirconia surfaces using different zirconia primers and universal adhesive. Materials and Methods Fifty zirconia blocks (15 × 15 × 10 mm, Zpex, Tosoh Corporation) were polished with 1,000 grit sand paper and air-abraded with 50 µm Al2O3 for 10 seconds (40 psi). They were divided into 5 groups: control (CO), Metal/Zirconia primer (MZ, Ivoclar Vivadent), Z-PRIME Plus (ZP, Bisco), Zirconia Liner (ZL, Sun Medical), and Scotchbond Universal adhesive (SU, 3M ESPE). Transbond XT Primer (used for CO, MZ, ZP, and ZL) and Transbond XT Paste was used for bracket bonding (Gemini clear ceramic brackets, 3M Unitek). After 24 hours at 37°C storage, specimens underwent 2,000 thermocycles, and then, shear bond strengths were measured (1 mm/min). An adhesive remnant index (ARI) score was calculated. The data were analyzed using one-way analysis of variance and the Bonferroni test (p = 0.05). Results Surface treatment with primers resulted in increased shear bond strength. The SU group showed the highest shear bond strength followed by the ZP, ZL, MZ, and CO groups, in that order. The median ARI scores were as follows: CO = 0, MZ = 0, ZP = 0, ZL = 0, and SU = 3 (p < 0.05). Conclusions Within this experiment, zirconia primer can increase the shear bond strength of bracket bonding. The highest shear bond strength is observed in SU group, even when no primer is used. PMID:29487838
Contact and Length Dependent Effects in Single-Molecule Electronics
NASA Astrophysics Data System (ADS)
Hines, Thomas
Understanding charge transport in single molecules covalently bonded to electrodes is a fundamental goal in the field of molecular electronics. In the past decade, it has become possible to measure charge transport on the single-molecule level using the STM break junction method. Measurements on the single-molecule level shed light on charge transport phenomena which would otherwise be obfuscated by ensemble measurements of groups of molecules. This thesis will discuss three projects carried out using STM break junction. In the first project, the transition between two different charge transport mechanisms is reported in a set of molecular wires. The shortest wires show highly length dependent and temperature invariant conductance behavior, whereas the longer wires show weakly length dependent and temperature dependent behavior. This trend is consistent with a model whereby conduction occurs by coherent tunneling in the shortest wires and by incoherent hopping in the longer wires. Measurements are supported with calculations and the evolution of the molecular junction during the pulling process is investigated. The second project reports controlling the formation of single-molecule junctions by means of electrochemically reducing two axial-diazonium terminal groups on a molecule, thereby producing direct Au-C covalent bonds in-situ between the molecule and gold electrodes. Step length analysis shows that the molecular junction is significantly more stable, and can be pulled over a longer distance than a comparable junction created with amine anchoring bonds. The stability of the junction is explained by the calculated lower binding energy associated with the direct Au-C bond compared with the Au-N bond. Finally, the third project investigates the role that molecular conformation plays in the conductance of oligothiophene single-molecule junctions. Ethyl substituted oligothiophenes were measured and found to exhibit temperature dependent conductance and transition
Telomere length of the colonial coral Galaxea fascicularis at different developmental stages
NASA Astrophysics Data System (ADS)
Tsuta, H.; Hidaka, M.
2013-06-01
The ability to estimate coral age using soft tissue would be useful for population biology or aging studies on corals. In this study, we investigated whether telomere length can be used to estimate coral age. We applied single telomere length analysis to a colonial coral, Galaxea fascicularis, and estimated telomere lengths of specific coral chromosomes at different developmental stages. If the telomere shortened at each cell division, the telomere length of the coral would be longest in sperm and shortest in adult colonies. However, the mean telomere length of sperm, planula larvae, and polyps was approximately 4 kb, with no significant differences among the developmental stages. The telomerase restriction fragment (TRF) analysis also showed no significant difference in the mean TRF length among the developmental stages. Our results suggested that telomere length is maintained during developmental stages and that estimating the age of colonial coral based on telomere length may not be possible. However, our findings can be used to examine avoidance of aging and rejuvenation during regeneration and asexual reproduction in colonial corals.
Fan, Cun-Hui; Chen, Jie; Liu, Xin-Qiang; Ma, Xin
2005-08-01
To investigate the influence of different porcelain surface treatment methods on the shear bond strength of metal brackets bonded to porcelain. 80 porcelain facets were divided randomly into two groups according to different adhesive material that was used to bond metal brackets. Adhesive material were Jing-Jin enamel adhesive and light-cured composite resin. Each group was further divided into 4 subgroups according to different surface treatment methods, which were acid etching with 37% phosphoric acid (H3PO4), acid etching with 9.6% hydrofluoric acid (HF), deglazing by grinding and silanating the porcelain surface. All specimens were stored in 37 degrees C water for 24 hours and then the shear bond strength and the porcelain fracture after debonding was determined. The porcelain surfaces after HF etching, H3PO4 etching and deglazing by grinding were examined by scanning electron microscopy respectively. The shear bond strengths in the HF etching groups, the deglazing groups and the silanating groups were much greater than that in the phosphoric etching groups (P < 0.01). Adequate orthodontic bonding strength was achieved both when bonded with light-cured composite resin after deglazing by grinding and when bonded with either of these adhesives after HF etching or surface silanating. There were no differences in the rates of porcelain fractures among groups (P > 0.05). HF etching, deglazing by grinding and silanating can all increase the shear bond strength between metal bracket and porcelain. Surface silanating of porcelain is a better surface treatment when metal brackets bonded to porcelain.
Wang, Lin; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
2016-11-15
The selective activation of the C-F bonds in substituted (2,6-difluorophenyl)phenylimines (2,6-F 2 H 3 C 6 -(C[double bond, length as m-dash]NH)-n'-R-C 6 H 4 (n' = 2, R = H (1); n' = 2, R = Me (2); n' = 4, R = tBu (3))) by Fe(PMe 3 ) 4 with an auxiliary strong Lewis acid (LiBr, LiI, or ZnCl 2 ) was explored. As a result, iron(ii) halides ((H 5 C 6 -(C[double bond, length as m-dash]NH)-2-FH 3 C 6 )FeX(PMe 3 ) 3 (X = Br (8); Cl (9)) and (n-RH 4 C 6 -(C[double bond, length as m-dash]NH)-2'-FH 3 C 6 )FeX(PMe 3 ) 3 (n = 2, R = Me, X = Br (11); n = 4, R = tBu, X = I (12))) were obtained. Under similar reaction conditions, using LiBF 4 instead of LiBr or ZnCl 2 , the reaction of (2,6-difluorophenyl)phenylimine with Fe(PMe 3 ) 4 afforded an ionic complex [(2,6-F 2 H 3 C 6 -(C[double bond, length as m-dash]NH)-H 4 C 6 )Fe(PMe 3 ) 4 ](BF 4 ) (10) via the activation of a C-H bond. The method of C-F bond activation with an auxiliary strong Lewis acid is appropriate for monofluoroarylmethanimines. Without the Lewis acid, iron(ii) hydrides ((2-RH 4 C 6 -(C[double bond, length as m-dash]NH)-2'-FH 3 C 6 )FeH(PMe 3 ) 3 (R = H (13); Me (14))) were generated from the reactions of Fe(PMe 3 ) 4 with the monofluoroarylmethanimines (2-FH 4 C 6 -(C[double bond, length as m-dash]NH)-2'-RC 6 H 4 (R = H (4); Me (5))); however, in the presence of ZnCl 2 or LiBr, iron(ii) halides ((2-RH 4 C 6 -(C[double bond, length as m-dash]NH)-H 4 C 6 )FeX(PMe 3 ) 3 (R = H, X = Cl (15); R = Me, X = Br (16))) could be obtained through the activation of a C-F bond. Furthermore, a C-F bond activation with good regioselectivity in (pentafluorophenyl)arylmethanimines (F 5 C 6 -(C[double bond, length as m-dash]NH)-2,6-Y 2 C 6 H 3 (Y = F (6); H (7))) could be realized in the presence of ZnCl 2 to produce iron(ii) chlorides ((2,6-Y 2 H 3 C 6 -(C[double bond, length as m-dash]NH)-F 4 C 6 )FeCl(PMe 3 ) 3 (Y = F (17); H (18))). This series of iron(ii) halides could be used to catalyze the hydrosilylation reaction of
Shear bond strength to enamel after power bleaching activated by different sources.
Can-Karabulut, Deniz C; Karabulut, Baris
2010-01-01
The purpose of the present study was to evaluate enamel bond strength of a composite resin material after hydrogen peroxide bleaching, activated by a diode laser (LaserSmile), an ozone device (HealOzone), a light-emitting diode (BT Cool whitening system), and a quartz-Plus. Fifty extracted caries-free permanent incisors were used in this study. Thirty-eight percent hydrogen peroxidegel was applied to sound, flattened labial enamel surfaces and activated by different sources. Enamel surfaces that had received no treatment were used as control samples. Bonding agent was applied according to the manufacturer's instructions and the adhesion test was performed according to ISO/TS 11405. Statistical analysis showed significant influence of the different activation technique of hydrogen peroxide on shear bond strength to enamel (ANOVA, LSD, P < 0.05). The data in this vitro explorative study suggest the activation of hydrogen peroxide by different sources may further affect the shear bond strength of subsequent composite resin restoration to enamel. Within the limitations of this in vitro study, further studies examining the structural changes of activated hydrogen peroxide-treated enamel are needed. Due to the different activation methods; duration of light irradiation effects, longer time periods may be needed before application of adhesive restorations to enamel, compared with non-activated bleaching.
Veneer Ceramic to Y-TZP Bonding: Comparison of Different Surface Treatments.
Kirmali, Omer; Kapdan, Alper; Kustarci, Alper; Er, Kursat
2016-06-01
The purpose of this study was to evaluate the effects of various surface-treatment techniques for enhancing the bond strength between veneering ceramic and yttria-stabilized tetragonal zirconia polycrystals (Y-TZP). Pre-sintered Y-TZP specimens were divided into eight groups (n = 10) according to the surface-treatment technique used: (a) untreated (control); (b) air abrasion with aluminum oxide particles; (c) erbium, chromium:yttrium-scandium-gallium-garnet (Er,Cr:YSGG) laser irradiation at different energy intensities (1 to 6 W). All specimens were then sintered and veneered with veneering ceramic according to the manufacturer's instructions. The obtained zirconia-ceramic specimens were immersed in 37°C distilled water for 24 hours before a shear bond strength test using a universal testing device at a 1 mm/min crosshead speed. The average values were calculated. After debonding, the Y-TZP surfaces were examined under a stereomicroscope to determine their fracture pattern, and the surface topography was evaluated with scanning electron microscopy after surface treatments. The bond strength ranged from 13.24 to 20.54 MPa. All surface treatments increased the bond strength between the veneering ceramic and Y-TZP; however, the value for the 6 W irradiation group was significantly different from the values for other groups (p ˂ 0.05). The present study's findings showed that higher energy densities were needed for the laser irradiation to improve the bond strength between the veneering ceramic and zirconia. Y-TZP is commonly used as a core material in fixed restorations. The bond strength between zirconia and the veneering ceramic can be affected by various surface treatments. © 2015 by the American College of Prosthodontists.
Pullout bond strength of fiber posts luted to different depths and submitted to artificial aging.
Macedo, V C; Souza, N A Y; Faria e Silva, A L; Cotes, C; da Silva, C; Martinelli, M; Kimpara, E T
2013-01-01
The extension of fiber post cementation often does not seem to influence the fracture resistance of restorations. This study evaluated the effects of cementation depths on the retention of fiber posts submitted to artificial aging. One hundred and sixty bovine incisors were selected to assess post retention. Following endodontic treatment, the canals were flared with diamonds burs. Postholes were prepared in lengths of 5 or 10 mm, after which fiber posts were relined with composite resin and luted with RelyX ARC or RelyX Unicem. The samples were then submitted to thermal and/or mechanical cycling before testing their pullout bond strengths. Absence of cycling was used as a control. The results of each cement were submitted to two-way and post hoc Tukey tests (α=0.05). Independent of the aging protocol, a depth of 10 mm showed higher pullout bond strength than did 5 mm, except for RelyX Unicem without cycling. For RelyX ARC, thermomechanical cycling resulted in lower values than in the absence of cycling. Mechanical cycling alone promoted the highest bond strength when the posts were luted with RelyX Unicem. The effect of artificial aging on the pullout bond strength is dependent on the type of material and the depth.
Atash, Ramin; Fneiche, Ali; Cetik, Sibel; Bahrami, Babak; Balon-Perin, Alain; Orellana, Maria; Glineur, Régine
2017-01-01
Adhesives systems have a drawback when utilized for bonding orthodontic brackets: they shrink during photopolymerization creating microleakage. The aim of this study was to assess the stability of different orthodontic adhesives around brackets and enamel. Sixty noncarious mandibular premolars extracted for orthodontic reasons were randomly divided into six groups of adhesives used for bonding brackets to dental enamel: NeoBond ® Light Cure Adhesive Kit, Transbond™ Plus Self-Etching, Victory V-Slot APC PLUS ® + Transbond™ MIP, Rely-A-Bond ® Kit, Light Cure Orthodontic Adhesive Kit (OptiBond ® ), and Transbond™ MIP. Following bonding, all teeth underwent 2500 cycles of thermal cycling in baths ranging from 5°C to 55°C before being immersed in 2% methylene blue for 24 h. All samples were examined under a binocular microscope to assess the degree of microleakage at the "bracket-adhesive" and "adhesive-enamel" interfaces in the gingival and occlusal regions of the bracket. A significant difference was found at the "occlusal bracket-adhesive" interface. The highest microleakage values were found in the occlusal region, although no significant. Microleakage was observed in all groups. Group 2 had the highest microleakage values whereas Group 6 had the lowest values.
Correlation of bond strength with surface roughness using a new roughness measurement technique.
Winkler, M M; Moore, B K
1994-07-01
The correlation between shear bond strength and surface roughness was investigated using new surface measurement methods. Bonding agents and associated resin composites were applied to set amalgam after mechanically roughening its surface. Surface treatments were noe (as set against glass), 80 grit, and 600 grit abrasive paper. Surface roughness (R(a) as measured parallel and perpendicular (+) to the direction of the polishing scratches and true profile length were measured. A knife-edge was applied (rate = 2.54 mm/min) at the bonding agent/amalgam interface of each sample until failure. Coefficients of determination for mean bond strength vs either roughness (R(a), of profile length were significantly higher for measurements in parallel directions than for those measurements in (+) directions. The shear bond strength to set amalgam for a PENTA-containing adhesives system (L.D. Caulk Division) was not significantly different from that of a PENTA-free adhesive (3M Dental Products Division), even though PENTA has been reported to increase bond strength to nonprecious metals. The shear bond strength of resin composite to amalgam is correlated to surface roughness when it is measured parallel to the polishing scratches. This correlation is significantly lower when surface roughness is measured in the typical manner, perpendicular to the polishing scratches.
Poor School Bonding and Delinquency over Time: Bidirectional Effects and Sex Differences
ERIC Educational Resources Information Center
Liljeberg, Jenny Freidenfelt; Eklund, Jenny M.; Fritz, Marie Vafors; Klinteberg, Britt af
2011-01-01
The association between poor school bonding and delinquency has only been partly addressed in earlier research. Using a longitudinal design, the objective of our study was to investigate possible bidirectional effects and sex differences between adolescents' experienced school bonding and self-rated delinquency over time. A total of 788…
Huang, Aiqun; Hsu, Hsiao-Ping; Bhattacharya, Aniket; Binder, Kurt
2015-12-28
The conformations of semiflexible polymers in two dimensions confined in a strip of width D are studied by computer simulations, investigating two different models for the mechanism by which chain stiffness is realized. One model (studied by molecular dynamics) is a bead-spring model in the continuum, where stiffness is controlled by a bond angle potential allowing for arbitrary bond angles. The other model (studied by Monte Carlo) is a self-avoiding walk chain on the square lattice, where only discrete bond angles (0° and ±90°) are possible, and the bond angle potential then controls the density of kinks along the chain contour. The first model is a crude description of DNA-like biopolymers, while the second model (roughly) describes synthetic polymers like alkane chains. It is first demonstrated that in the bulk the crossover from rods to self-avoiding walks for both models is very similar, when one studies average chain linear dimensions, transverse fluctuations, etc., despite their differences in local conformations. However, in quasi-one-dimensional confinement two significant differences between both models occur: (i) The persistence length (extracted from the average cosine of the bond angle) gets renormalized for the lattice model when D gets less than the bulk persistence length, while in the continuum model it stays unchanged. (ii) The monomer density near the repulsive walls for semiflexible polymers is compatible with a power law predicted for the Kratky-Porod model in the case of the bead-spring model, while for the lattice case it tends to a nonzero constant across the strip. However, for the density of chain ends, such a constant behavior seems to occur for both models, unlike the power law observed for flexible polymers. In the regime where the bulk persistence length ℓp is comparable to D, hairpin conformations are detected, and the chain linear dimensions are discussed in terms of a crossover from the Daoud/De Gennes "string of blobs
DOT National Transportation Integrated Search
2014-12-01
In reinforced concrete systems, ensuring that a good bond between the concrete and the embedded reinforcing steel is critical to : long-term structural performance. Without good bond between the two, the system simply cannot behave as intended. The b...
Xu, Kan; He, Fan; Geng, Yi
2009-12-01
To study the influence of different opaque thickness on the bond strength of porcelain-fused-to metal (PFM) restorations. The testing sheets were made as the samples of ISO9693. With different sintering temperature and different opaque thickness on the bond strength of PFM restorations, the primary pressure of porcelain crack was measured by using three-points-bending test. Statistical analysis was carried out using a SPSS 10.0 software package. A post hoc multiple comparison test (Student-Newman-Keuls) was performed to evaluate the differences between the individual groups. In low sintering temperature group, the thin layer of opaque significantly improved the bond strength compared with thick layer of opaque (P<0.05). In high sintering temperature group, the thickness of opaque has no significant influence on the PFM bonding strength. Using the opaque, the bonding strength was better than those without opaque. The thickness of opaque has a little influence on the PFM bonding strength.
Bond characteristics of reinforcing steel embedded in geopolymer concrete
NASA Astrophysics Data System (ADS)
Kathirvel, Parthiban; Thangavelu, Manju; Gopalan, Rashmi; Raja Mohan Kaliyaperumal, Saravana
2017-07-01
The force transferring between reinforcing steel and the surrounding concrete in reinforced concrete is influenced by several factors. Whereas, the study on bond behaviour of geopolymer concrete (GPC) is lagging. In this paper, an experimental attempt has been made to evaluate the geopolymer concrete bond with reinforcing steel of different diameter and embedded length using standard pull out test. The geopolymer concrete is made of ground granulated blast furnace slag (GGBFS) as geopolymer source material (GSM). The tests were conducted to evaluate the development of bond between steel and concrete of grade M40 and M50 with 12 and 16 mm diameter reinforcing steel for geopolymer and cement concrete mixes and to develop a relation between bond strength and compressive strength. From the experimental results, it has been observed that the bond strength of the geopolymer concrete mixes was more compared to the cement concrete mixes and increases with the reduction in the diameter of the bar.
A vector-based representation of the chemical bond for the substituted torsion of biphenyl
NASA Astrophysics Data System (ADS)
Li, Jiahui; Huang, Weijie; Xu, Tianlv; Kirk, Steven R.; Jenkins, Samantha
2018-06-01
We use a new interpretation of the chemical bond within QTAIM, the bond-path framework set B = {p, q, r} with associated linkages with lengths H∗, H and the familiar bond-path length is used to describe a torsion θ, 0.0° ≤ θ < 22.0° of para-substituted biphenyl, C12H9-x, x = N(CH3)2, NH2, CH3, CHO, CN, NO2. We include consideration of the H--H bonding interactions and find that the lengths H > H∗ that we explain in terms of the most and least preferred directions of charge density accumulation. We also consider the fractional eigenvector-following path with lengths Hf and Hfθmin.
Tong, Glenna So Ming; Law, Yuen-Chi; Kui, Steven C F; Zhu, Nianyong; Leung, King Hong; Phillips, David Lee; Che, Chi-Ming
2010-06-11
The complexes [Pt(tBu(3)tpy){C[triple bond]C(C(6)H(4)C[triple bond]C)(n-1)R}](+) (n = 1: R = alkyl and aryl (Ar); n = 1-3: R = phenyl (Ph) or Ph-N(CH(3))(2)-4; n = 1 and 2, R = Ph-NH(2)-4; tBu(3)tpy = 4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine) and [Pt(Cl(3)tpy)(C[triple bond]CR)](+) (R = tert-butyl (tBu), Ph, 9,9'-dibutylfluorene, 9,9'-dibutyl-7-dimethyl-amine-fluorene; Cl(3)tpy = 4,4',4''-trichloro-2,2':6',2''-terpyridine) were prepared. The effects of substituent(s) on the terpyridine (tpy) and acetylide ligands and chain length of arylacetylide ligands on the absorption and emission spectra were examined. Resonance Raman (RR) spectra of [Pt(tBu(3)tpy)(C[triple bond]CR)](+) (R = n-butyl, Ph, and C(6)H(4)-OCH(3)-4) obtained in acetonitrile at 298 K reveal that the structural distortion of the C[triple bond]C bond in the electronic excited state obtained by 502.9 nm excitation is substantially larger than that obtained by 416 nm excitation. Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations on [Pt(H(3)tpy)(C[triple bond]CR)](+) (R = n-propyl (nPr), 2-pyridyl (Py)), [Pt(H(3)tpy){C[triple bond]C(C(6)H(4)C[triple bond]C)(n-1)Ph}](+) (n = 1-3), and [Pt(H(3)tpy){C[triple bond]C(C(6)H(4)C[triple bond]C)(n-1)C(6)H(4)-N(CH(3))(2)-4}](+)/+H(+) (n = 1-3; H(3)tpy = nonsubstituted terpyridine) at two different conformations were performed, namely, with the phenyl rings of the arylacetylide ligands coplanar ("cop") with and perpendicular ("per") to the H(3)tpy ligand. Combining the experimental data and calculated results, the two lowest energy absorption peak maxima, lambda(1) and lambda(2), of [Pt(Y(3)tpy)(C[triple bond]CR)](+) (Y = tBu or Cl, R = aryl) are attributed to (1)[pi(C[triple bond]CR)-->pi*(Y(3)tpy)] in the "cop" conformation and mixed (1)[d(pi)(Pt)-->pi*(Y(3)tpy)]/(1)[pi(C[triple bond]CR)-->pi*(Y(3)tpy)] transitions in the "per" conformation. The lowest energy absorption peak lambda(1) for [Pt(tBu(3)tpy){C[triple bond]C(C(6)H(4)C
Perineal Body Length Among Different Racial Groups in the First Stage of Labor
Tsai, Pai-Jong Stacy; Oyama, Ian A.; Hiraoka, Mark; Minaglia, Steven; Thomas, Jennifer; Kaneshiro, Bliss
2018-01-01
Objective Anatomic differences among racial groups may contribute to observed differences in the occurrence of severe perineal lacerations at the time of vaginal delivery. The purpose of this study was to identify differences in perineal body length between racial groups. Methods Perineal body length was measured in primigravid women aged 18 to 45 years who were admitted in labor. Women were classified into 1 of 6 racial groups: White, Filipino, Japanese, Chinese, Native Hawaiian, or Micronesian. The primary outcome, perineal body length, was compared using analysis of variance. Results A total of 200 women were recruited. There were no significant differences in perineal body length (P = 0.42) and severe perineal lacerations (P = 0.82) between the different racial groups. The mean (SD) perineal body length of women who had a severe laceration was 3.9 (0.5) versus 3.9 (0.6) cm in women who did not have a severe laceration (P = 0.98). Conclusion Perineal body length does not seem to differ among the different racial groups studied and therefore an unlikely cause of racial variation in rates of severe perineal lacerations. PMID:22543769
Short Carboxylic Acid–Carboxylate Hydrogen Bonds Can Have Fully Localized Protons
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lin, Jiusheng; Pozharski, Edwin; Wilson, Mark A.
Short hydrogen bonds (H-bonds) have been proposed to play key functional roles in several proteins. The location of the proton in short H-bonds is of central importance, as proton delocalization is a defining feature of low-barrier hydrogen bonds (LBHBs). Experimentally determining proton location in H-bonds is challenging. Here, bond length analysis of atomic (1.15–0.98 Å) resolution X-ray crystal structures of the human protein DJ-1 and its bacterial homologue, YajL, was used to determine the protonation states of H-bonded carboxylic acids. DJ-1 contains a buried, dimer-spanning 2.49 Å H-bond between Glu15 and Asp24 that satisfies standard donor–acceptor distance criteria for amore » LBHB. Bond length analysis indicates that the proton is localized on Asp24, excluding a LBHB at this location. However, similar analysis of the Escherichia coli homologue YajL shows both residues may be protonated at the H-bonded oxygen atoms, potentially consistent with a LBHB. A Protein Data Bank-wide screen identifies candidate carboxylic acid H-bonds in approximately 14% of proteins, which are typically short [O–O> = 2.542(2) Å]. Chemically similar H-bonds between hydroxylated residues (Ser/Thr/Tyr) and carboxylates show a trend of lengthening O–O distance with increasing H-bond donor pK a. This trend suggests that conventional electronic effects provide an adequate explanation for short, charge-assisted carboxylic acid–carboxylate H-bonds in proteins, without the need to invoke LBHBs in general. This study demonstrates that bond length analysis of atomic resolution X-ray crystal structures provides a useful experimental test of certain candidate LBHBs.« less
Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Lin, Jiusheng; Pozharski, Edwin; Wilson, Mark A
2017-01-17
Short hydrogen bonds (H-bonds) have been proposed to play key functional roles in several proteins. The location of the proton in short H-bonds is of central importance, as proton delocalization is a defining feature of low-barrier hydrogen bonds (LBHBs). Experimentally determining proton location in H-bonds is challenging. Here, bond length analysis of atomic (1.15-0.98 Å) resolution X-ray crystal structures of the human protein DJ-1 and its bacterial homologue, YajL, was used to determine the protonation states of H-bonded carboxylic acids. DJ-1 contains a buried, dimer-spanning 2.49 Å H-bond between Glu15 and Asp24 that satisfies standard donor-acceptor distance criteria for a LBHB. Bond length analysis indicates that the proton is localized on Asp24, excluding a LBHB at this location. However, similar analysis of the Escherichia coli homologue YajL shows both residues may be protonated at the H-bonded oxygen atoms, potentially consistent with a LBHB. A Protein Data Bank-wide screen identifies candidate carboxylic acid H-bonds in approximately 14% of proteins, which are typically short [⟨d O-O ⟩ = 2.542(2) Å]. Chemically similar H-bonds between hydroxylated residues (Ser/Thr/Tyr) and carboxylates show a trend of lengthening O-O distance with increasing H-bond donor pK a . This trend suggests that conventional electronic effects provide an adequate explanation for short, charge-assisted carboxylic acid-carboxylate H-bonds in proteins, without the need to invoke LBHBs in general. This study demonstrates that bond length analysis of atomic resolution X-ray crystal structures provides a useful experimental test of certain candidate LBHBs.
Gasparić, Lana Bergman; Schauperl, Zdravko; Mehulić, Ketij
2013-03-01
Aim of the study was to assess the effect of different surface treatments on the shear bond strength (SBS) of the veneering ceramics to zirconia core. In a shear test the influence of grinding and sandblasting of the zirconia surface on bonding were assessed. Statistical analysis was performed using SPSS statistical package (version 17.0, SPSS Inc., Chicago, IL, USA) and Microsoft Office Excel 2003 (Microsoft, Seattle, WA, USA). There was a significant difference between the groups considering shear bond strength (SBS) values, i.e. ground and sandblasted samples had significantly higher SBS values than only ground samples (mean difference = -190.67; df = 10, t = -6.386, p < 0.001). The results of the present study indicate that ground and sandblasted cores are superior to ground cores, allowing significantly higher surface roughness and significantly higher shear bond strength between the core and the veneering material.
In vitro analysis of shear bond strength and adhesive remnant index of different metal brackets
Henkin, Fernanda de Souza; de Macêdo, Érika de Oliveira Dias; Santos, Karoline da Silva; Schwarzbach, Marília; Samuel, Susana Maria Werner; Mundstock, Karina Santos
2016-01-01
ABSTRACT Introduction: There is a great variety of orthodontic brackets in the Brazilian market, and constantly evaluating them is critical for professionals to know their properties, so as to be able to choose which product best suits their clinical practice. Objectives: To evaluate the bond strength and the adhesive remnant index (ARI) of different brands of metal brackets. Material and Methods: A total of 105 bovine incisors were used, and brackets of different brands were bonded to teeth. Seven different bracket brands were tested (MorelliTM, American OrthodonticsTM, TP OrthodonticsTM, Abzil-3MTM, OrthometricTM, TecnidentTM and UNIDENTM). Twenty-four hours after bonding, shear bond strength test was performed; and after debonding, the ARI was determined by using an optical microscope at a 10-fold increase. Results: Mean shear bond strength values ranged from 3.845 ± 3.997 (MorelliTM) to 9.871 ± 5.106 MPa (TecnidentTM). The majority of the ARI index scores was 0 and 1. Conclusion: Among the evaluated brackets, the one with the lowest mean shear bond strength values was MorelliTM. General evaluation of groups indicated that a greater number of bond failure occurred at the enamel/adhesive interface. PMID:28125142
Scougall-Vilchis, Rogelio J; Zárate-Díaz, Chrisel; Kusakabe, Shusuke; Yamamoto, Kohji
2010-05-01
To determine the shear bond strengths (SBS) of stainless steel brackets bonded with seven light-cured orthodontic adhesives after the enamel was conditioned with the same self-etching primer. A total of 140 extracted human molars were randomly divided into seven groups (N = 20). In all the groups, the enamel was conditioned with Transbond Plus SEP (TPSEP). Stainless steel brackets were bonded with the following orthodontic adhesives: Group I, Transbond XT; Group II, Blūgloo; Group III, BeautyOrtho Bond; Group IV, Enlight; Group V, Light Bond; Group VI, Transbond CC; Group VII, Xeno Ortho. The teeth were stored in distilled water at 37 degrees C for 24 hours and debonded with a universal testing machine. The modified adhesive remnant index (ARI) was also recorded. There were no significant differences in the SBS values among the groups: I (18.0 +/- 7.4 MPa); II (18.3 +/- 5.1 MPa); III (14.8 +/- 4.3 MPa); IV (18.3 +/- 7.0 MPa); V (16.4 +/- 4.3 MPa); VI (20.3 +/- 5.3 MPa); VII (15.9 +/- 6.4 MPa), but significant differences in ARI were found. The seven orthodontic adhesives evaluated in this study can be successfully used for bonding stainless steel brackets when the enamel is conditioned with TPSEP, however, the differences among some groups might influence the clinical bond strengths. In addition, the amount of residual adhesive remaining on the teeth after debonding differed among the adhesives. Further studies are required to better understand the differences in SBS and ARI.
Differences in mother-to-infant bonding according to type of C-section: Elective versus unplanned.
Forti-Buratti, María Azul; Palanca-Maresca, Inmaculada; Fajardo-Simón, Lourdes; Olza-Fernández, Ibone; Bravo-Ortiz, María Fe; Marín-Gabriel, Miguel Ángel
2017-12-01
Aim To compare the mother-to-infant bond of mothers who gave birth by elective C-section versus urgent C-section in the first 48-72h of life and 10-12weeks after delivery. This is a cohort prospective study of women giving birth by C-section. 48-72h after delivery, sociodemographic variables were collected, Mother-to-Infant Bonding Scale and newborn's response to separation test were performed. 10-12weeks after delivery Mother-to-Infant Bonding Scale and questions about baby's feeding were completed. A total of 116 dyads were recruited, 58 in each group. No significant differences between the two C-sections in bonding, newborn response to separation or type of feeding were observed at any time points. However, those dyads presenting with an abnormal bond at time 1 had more frequently an abnormal bond at time 2 (50% versus 8.1%, p=0.000). No differences in mother-to-infant bond were found according to type of C-section. Copyright © 2017 Elsevier B.V. All rights reserved.
Viscous friction of hydrogen-bonded matter
NASA Astrophysics Data System (ADS)
Erbas, Aykut; Horinek, Dominik; Netz, Roland R.
2012-02-01
Amontons' law successfully describes friction between macroscopic solid bodies for a wide range of velocities and normal forces. For the diffusion and forced sliding of adhering or entangled macromolecules, proteins and biological complexes, temperature effects are invariably important and a similarly successful friction law at biological length and velocity scales is missing. Hydrogen bonds are key to the specific binding of bio-matter. Here we show that friction between hydrogen-bonded matter obeys in the biologically relevant low-velocity viscous regime a simple equations: the friction force is proportional to the number of hydrogen bonds, the sliding velocity, and a friction coefficient γHB. This law is deduced from atomistic molecular dynamics simulations for short peptide chains that are laterally pulled over hydroxylated substrates in the presence of water and holds for widely different peptides, surface polarities and applied normal forces. The value of γHB is extrapolated from simulations at sliding velocities in the range from v=10-2 m/s to 100 m/s by mapping on a simple stochastic model and turns out to be of the order of γHB˜10-8 kg/s. 3 hydrogen bonds act collectively.
Abu-Alhaija, Elham; Jaradat, Mohammad; Alwahadni, Ahed
2017-03-01
Molar bonding procedures need continuous improvement to be widely accepted clinically and eventually replace molar bands. The purpose of this study was to determine the effects of enamel micro-abrasion and silane coating of the base of molar tubes on shear and tensile bond strengths of orthodontic molar tubes. A total of 200 third molars were randomly allocated into five groups of 40 teeth as follows: group 1: molar tubes bonded to etched teeth (37% phosphoric acid gel; control group); group 2: molar tubes bonded to etched teeth (37% phosphoric acid) with the addition of silane to the base of molar tubes; group 3: molar tubes bonded to teeth pre-treated with 18% hydrochloric acid and pumice (micro-abrasion); group 4: molar tubes bonded to teeth pre-treated with microabrasion with the addition of silane to the base of molar tubes; group 5: molar tubes bonded to teeth pre-treated with microabrasion before conventional acid etching combined with the addition of silane to the base of molar tubes. The bond strength testing was performed using a computer control electromechanical universal testing machine. The highest mean shear and tensile bond strengths were recorded in group 5 (13.81±2.54MPa and 13.97±2.29 MPa, respectively). Micro-abrasion alone (group 3) and the combination of enamel micro-abrasion and the addition of silane (group 4) produced bond strength values comparable to the control. Enamel surface pre-treatment (micro abrasion) before conventional acid etching combined with the addition of silane to the base of the molar tube produced the highest bond strengths among all tested groups. Key words: Molar, shear strength, tensile strength, orthodontic appliances.
Roperto, Renato; Akkus, Anna; Akkus, Ozan; Lang, Lisa; Sousa-Neto, Manoel Damiao; Teich, Sorin; Porto, Thiago Soares
2016-01-01
The aim of this study was to determine the microtensile bond strength (μTBS) of ceramic and composite computer aided design-computer aided manufacturing (CAD-CAM) blocks bonded to dentin using different adhesive strategies. In this in vitro study, 30 crowns of sound freshly extracted human molars were sectioned horizontally 3 mm above the cementoenamel junction to produce flat dentin surfaces. Ceramic and composite CAD/CAM blocks, size 14, were sectioned into slices of 3 mm thick. Before bonding, CAD/CAM block surfaces were treated according to the manufacturer's instructions. Groups were created based on the adhesive strategy used: Group 1 (GI) - conventional resin cement + total-etch adhesive system, Group 2 (GII) - conventional resin cement + self-etch adhesive system, and Group 3 (GIII) - self-adhesive resin cement with no adhesive. Bonded specimens were stored in 100% humidity for 24h at 37C, and then sectioned with a slow-speed diamond saw to obtain 1 mm × 1 mm × 6 mm microsticks. Microtensile testing was then conducted using a microtensile tester. μTBS values were expressed in MPa and analyzed by one-way ANOVA with post hoc (Tukey) test at the 5% significance level. Mean values and standard deviations of μTBS (MPa) were 17.68 (±2.71) for GI/ceramic; 17.62 (±3.99) for GI/composite; 13.61 (±6.92) for GII/composite; 12.22 (±4.24) for GII/ceramic; 7.47 (±2.29) for GIII/composite; and 6.48 (±3.10) for GIII/ceramic; ANOVA indicated significant differences among the adhesive modality and block interaction (P < 0.05), and no significant differences among blocks only, except between GI and GII/ceramic. Bond strength of GIII was consistently lower (P < 0.05) than GI and GII groups, regardless the block used. Cementation of CAD/CAM restorations, either composite or ceramic, can be significantly affected by different adhesive strategies used.
Pullout Performances of Grouted Rockbolt Systems with Bond Defects
NASA Astrophysics Data System (ADS)
Xu, Chang; Li, Zihan; Wang, Shanyong; Wang, Shuren; Fu, Lei; Tang, Chunan
2018-03-01
This paper presents a numerical study on the pullout behaviour of fully grouted rockbolts with bond defects. The cohesive zone model (CZM) is adopted to model the bond-slip behaviour between the rockbolt and grout material. Tensile tests were also conducted to validate the numerical model. The results indicate that the defect length can obviously influence the load and stress distributions along the rockbolt as well as the load-displacement response of the grouted system. Moreover, a plateau in the stress distribution forms due to the bond defect. The linear limit and peak load of the load-displacement response decrease as the defect length increases. A bond defect located closer to the loaded end leads to a longer nonlinear stage in the load-displacement response. However, the peak loads measured from the specimens made with various defect locations are almost approximately the same. The peak load for a specimen with the defects equally spaced along the bolt is higher than that for a specimen with defects concentrated in a certain zone, even with the same total defect length. Therefore, the dispersed pattern of bond defects would be much safer than the concentrated pattern. For the specimen with dispersed defects, the peak load increases with an increase in the defect spacing, even if the total defect length is the same. The peak load for a grouted rockbolt system with defects increases with an increases in the bolt diameter. This work leads to a better understanding of the load transfer mechanism for grouted rockbolt systems with bond defects, and paves the way towards developing a general evaluation method for damaged rockbolt grouted systems.
Vahid Dastjerdi, Elahe; Khaloo, Negar; Mojahedi, Seyed Masoud; Azarsina, Mohadese
2015-11-01
Bleaching treatments decrease shear bond strength between orthodontic brackets and teeth; although definite results have not been reported in this regard. This study determined the effects of different bleaching protocols on the shear bond strength of orthodontic brackets to teeth. This experimental study was performed in Iran. Forty-eight extracted human premolars were randomly assigned into four groups. In the control group, no bleaching treatment was performed. In groups 2 - 4, the bleaching procedures were performed using carbamide peroxide 45%, carbamide peroxide 20% and diode laser, respectively. Two weeks later, brackets were bonded to teeth and thermocycled. The shear bond strengths of the brackets to the teeth were measured. Data was analyzed by one-way ANOVA and Dunnett post-hoc test. Shear bond strength of the brackets to the teeth were 10.54 ± 1.51, 6.37 ± 0.92, 7.67 ± 1.01 and 7.49 ± 1.19 MPa, in groups 1 - 4, respectively. Significant differences were found between control group and all other groups (P < 0.001); and also between groups 2 and 3 (P < 0.05). No significant differences were found between the other groups. The bleaching procedures using 20% carbamide peroxide and 45% carbamide peroxide and diode laser significantly decreased shear bond strength of brackets to the teeth. 45% carbamide peroxide had a more significant effect on bond strength compared to 20% carbamide peroxide. The difference in bond strength was not significant between laser group and either carbamide peroxide groups.
Goel, Amit; Singh, Atul; Gupta, Tarun
2017-01-01
Background The purpose of this study was to analyze and compare the enamel surface roughness before bonding and after debonding, to find correlation between the adhesive remnant index and its effect on enamel surface roughness and to evaluate which clean-up method is most efficient to provide a smoother enamel surface. Material and Methods 135 premolars were divided into 3 groups containing 45 premolars in each group. Group I was bonded by using moisture insensitive primer, Group II by using conventional orthodontic adhesive and Group III by using self-etching primer. Each group was divided into 3 sub-groups on the basis of type of clean-up method applied i,e scaling followed by polishing, tungsten carbide bur and Sof-Lex disc. Enamel surface roughness was measured and compared before bonding and after clean-up. Results Evaluation of pre bonding and post clean-up enamel surface roughness (Ra value) with the t test showed that Post clean-up Ra values were greater than Pre bonding Ra values in all the groups except in teeth bonded with self-etching primer cleaned with Sof-Lex disc. Reliability of ARI score taken at different time interval tested with Kruskal Wallis test suggested that all the readings were reliable. Conclusions No clean-up procedure was able to restore the enamel to its original smoothness. Self-etching primer and Sof-Lex disc clean-up method combination restored the enamel surface roughness (Ra value) closest to its pre-treatment value. Key words:Enamel surface roughness, clean-up method, adhesive remnant index. PMID:28512535
BOND STRENGTH AND MORPHOLOGY OF ENAMEL USING SELF-ETCHING ADHESIVE SYSTEMS WITH DIFFERENT ACIDITIES
Moura, Sandra Kiss; Reis, Alessandra; Pelizzaro, Arlete; Dal-Bianco, Karen; Loguercio, Alessandro Dourado; Arana-Chavez, Victor Elias; Grande, Rosa Helena Miranda
2009-01-01
Objectives: To assess the bond strength and the morphology of enamel after application of self-etching adhesive systems with different acidities. The tested hypothesis was that the performance of the self-etching adhesive systems does not vary for the studied parameters. Material and methods: Composite resin (Filtek Z250) buildups were bonded to untreated (prophylaxis) and treated (burcut or SiC-paper) enamel surfaces of third molars after application of four self-etching and two etch-and-rinse adhesive systems (n=6/condition): Clearfil SE Bond (CSE); OptiBond Solo Plus Self-Etch (OP); AdheSe (AD); Tyrian Self Priming Etching (TY), Adper Scotchbond Multi-Purpose Plus (SBMP) and Adper Single Bond (SB). After storage in water (24 h/37°C), the bonded specimens were sectioned into sticks with 0.8 mm2 cross-sectional area and the microtensile bond strength was tested at a crosshead speed of 0.5 mm/min. The mean bond strength values (MPa) were subjected to two-way ANOVA and Tukey's test (α=0.05). The etching patterns of the adhesive systems were also observed with a scanning electron microscope. Results: The main factor adhesive system was statistically significant (p<0.05). The mean bond strength values (MPa) and standard deviations were: CSE (20.5±3.5), OP (11.3±2.3), AD (11.2±2.8), TY (11.1±3.0), SBMP (21.9±4.0) and SB (24.9±3.0). Different etching patterns were observed for the self-etching primers depending on the enamel treatment and the pH of the adhesive system. Conclusion: Although there is a tendency towards using adhesive systems with simplified application procedures, this may compromise the bonding performance of some systems to enamel, even when the prismless enamel is removed. PMID:19668991
Song, Xinyu; Han, Xiaoyue; Yu, Fabiao; Zhang, Jinjin; Chen, Lingxin; Lv, Changjun
2018-01-15
Formaldehyde (FA) is an endogenously produced reactive carbonyl species (RCS) through biological metabolic processes whose concentration is closely related to human health and disease. Noninvasive and real-time detection of FA concentration in organisms is very important for revealing the physiological and pathological functions of FA. Herein, we design and synthesize a reversible fluorescent probe BOD-NH 2 for the detection of FA in living cells and in vivo. The probe is composed of two moieties: the BODIPY fluorophore and the primary amino group response unit. The probe undergoes an intracellular aldimine condensation reaction with FA and forms imine (C[double bond, length as m-dash]N) which will result in C[double bond, length as m-dash]N isomerization and rotation to turn-off the fluorescence of the probe. It is important that the probe can show a reversible response to FA. The probe BOD-NH 2 has been successfully applied for detecting and imaging FA in the cytoplasm of living cells. BOD-NH 2 is capable of detecting fluctuations in the levels of endogenous and exogenous FA in different types of living cells. The probe can be used to visualize the FA concentration in fresh hippocampus and the probe can further qualitatively evaluate the FA concentrations in ex vivo-dissected organs. Moreover, BOD-NH 2 can also be used for imaging in mice. The above applications make our new probe a potential chemical tool for the study of physiological and pathological functions of FA in cells and in vivo.
Alwahadni, Ahed
2017-01-01
Background Molar bonding procedures need continuous improvement to be widely accepted clinically and eventually replace molar bands. Material and Methods The purpose of this study was to determine the effects of enamel micro-abrasion and silane coating of the base of molar tubes on shear and tensile bond strengths of orthodontic molar tubes. A total of 200 third molars were randomly allocated into five groups of 40 teeth as follows: group 1: molar tubes bonded to etched teeth (37% phosphoric acid gel; control group); group 2: molar tubes bonded to etched teeth (37% phosphoric acid) with the addition of silane to the base of molar tubes; group 3: molar tubes bonded to teeth pre-treated with 18% hydrochloric acid and pumice (micro-abrasion); group 4: molar tubes bonded to teeth pre-treated with microabrasion with the addition of silane to the base of molar tubes; group 5: molar tubes bonded to teeth pre-treated with microabrasion before conventional acid etching combined with the addition of silane to the base of molar tubes. The bond strength testing was performed using a computer control electromechanical universal testing machine. Results The highest mean shear and tensile bond strengths were recorded in group 5 (13.81±2.54MPa and 13.97±2.29 MPa, respectively). Micro-abrasion alone (group 3) and the combination of enamel micro-abrasion and the addition of silane (group 4) produced bond strength values comparable to the control. Conclusions Enamel surface pre-treatment (micro abrasion) before conventional acid etching combined with the addition of silane to the base of the molar tube produced the highest bond strengths among all tested groups. Key words:Molar, shear strength, tensile strength, orthodontic appliances. PMID:28298990
Hu, Peiguang; Chen, Limei; Deming, Christopher P; Bonny, Lewis W; Lee, Hsiau-Wei; Chen, Shaowei
2016-10-07
Stable platinum nanoparticles were prepared by the self-assembly of 1-dodecyne and dodec-1-deuteroyne onto bare platinum colloid surfaces. The nanoparticles exhibited consistent core size and optical properties. FTIR and NMR measurements confirmed the formation of Pt-vinylidene (Pt[double bond, length as m-dash]C[double bond, length as m-dash]CH-) interfacial linkages rather than Pt-acetylide (Pt-C[triple bond, length as m-dash]C-) and platinum-hydride (Pt-H) bonds.
Periodic trends in bond dissociation energies. A theoretical study.
Mó, Otilia; Yáñez, Manuel; Eckert-Maksić, Mirjana; Maksić, Zvonimir B; Alkorta, Ibón; Elguero, José
2005-05-19
Bond dissociation energies (BDEs) of all possible A-X single bonds involving the first- and second-row atoms, from Li to Cl, where the free valences are saturated by hydrogens, have been estimated through the use of the G3-theory and at the B3LYP/6-311+G(3df,2pd)//B3LYP/6-31G(2df,p) DFT level of theory. BDEs exhibit a periodical behavior. The A-X (A = Li, Be, B, Na, Mg, Al, and Si) BDEs show a steady increase along the first and the second row of the periodic table as a function of the atomic number Z(X). For A-X bonds involving electronegative atoms (A = C, N, O, F, P, S, and Cl) the bond energies achieve a maximum around Z(X) = 5. The same behavior is observed when BDEs are plotted against the electronegativity chi(X) of the atom X. Thus, for A-X bonds (A = Li, Be, B, Na, Mg, Al, Si), the BDEs for a fixed A increases, grosso modo, as the electronegativity differences between X and A increase, with some exceptions, which reflect the differences in the relaxation energies of the radicals produced upon the bond cleavage. A similar trend, albeit less pronounced, is found for single A-X bonds, where A = C, N, O, F, P, S, and Cl. However, there is an additional feature embodied in the enhancement of the strength of the A-boron bonds due to the ability of boron to act as a strong electron acceptor. The trends in bond lengths and charge densities at the bond critical points are in line with the aforementioned behavior.
Are differences in leg length predictive of lateral patello-femoral pain?
Carlson, Mary; Wilkerson, Jerry
2007-03-01
Lateral patello-femoral pain can shorten an athletic career and generally decrease an individual's physical activity and functional level, such as preventing stair climbing and reducing the ability to rise from a chair. Leg length inequality is associated with patello-femoral pain. A leg length test that best distinguishes the difference between people who have lateral patello-femoral pain and those who do not would have clinical utility. The purpose of the present study was, first, to determine if unilateral, lateral patello-femoral pain was associated with the longer leg when inequality of leg lengths existed and, second, to determine if leg length direct measurement, indirect measurement or quadriceps angle (Q angle) could correctly classify participants according to the presence or absence of patello-femoral pain. The study used an ex post facto, two-group quasi-experimental design. A volunteer sample of 52 participants (14 males, 38 females), ranged in age from 18 to 52 years. Three methods were used to measure leg lengths: palpation meter (PALM) on anterior superior iliac spines (ASIS) while participants maintained centred weight-bearing position on a high resolution pressure mat; tape measurement from ASIS to medial malleolus (supine); tape measurement from ASIS to lateral malleolus (supine). Additionally, Q angle was measured in supine position. Patellar grind test, medial retinacular and lateral patellar palpation screened for patello-femoral pain. Logistic regression analysis determined correctness of membership in painful and non-painful patello-femoral groups. The PALM method of indirect measurement of leg length differences overall correctly classified approximately 83 % of the participants. Tape measure to medial and lateral malleoli as well as Q angle did not yield significant results. The results suggested that the PALM method of measuring leg length differences may have clinical utility in differentiating between patients who are likely to sustain
[Effects of different surface treatments on the zirconia-resin cement bond strength].
Liao, Y; Liu, X Q; Chen, L; Zhou, J F; Tan, J G
2018-02-18
To evaluate the effects of different surface treatments on the shear bond strength between zirconia and resin cement. Forty zirconia discs were randomly divided into four groups (10 discs in each group) for different surface treatments: control, no surface treatment; sandblast, applied air abrasion with aluminum oxide particles; ultraviolet (UV), the zirconia sample was placed in the UV sterilizer at the bottom of the UV lamp at 10 mm, and irradiated for 48 h; cold plasma, the discs were put in the cold plasma cabinet with the cold plasma generated from the gas of He for 30 s. Specimens of all the groups were surface treated prior to cementation with Panavia F 2.0 cement. The surface morphology and contact angle of water were measured. The shear bond strengths were tested and the failure modes were examined with a stereomicroscope. Surface morphology showed no difference between the UV/cold plasma group and the control group. Sandblasted zirconia displayed an overall heterogeneous distribution of micropores. The contact angle of the control group was 64.1°±2.0°. After sandblasting, UV irradiation and cold plasma exposure, the values significantly decreased to 48.8°±2.6°, 27.1°±3.6° and 32.0°±3.3°. The values of shear bond strength of the specimens with sandblasted (14.82±2.01) MPa were higher than those with no treatment (9.41±1.07) MPa with statistically significant difference (P<0.05). The values of shear bond strength of the specimens with UV irradiation (10.02±0.64) MPa were higher than those with no treatment (9.41±1.07) MPa, but without statistically significant difference (P>0.05). The values of cold plasma group (18.34±3.05) MPa were significantly higher than those of control group (9.41±1.07) MPa, even more than those with sandblast(14.82±2.01) MPa (P<0.05). X-ray photoelectron spectroscopy (XPS) showed increase in oxygen (O) and decrease in carbon (C) elements after UV and cold plasma treatment. The surface C/O ratio also decreased
Comparison of three different orthodontic wires for bonded lingual retainer fabrication
Uysal, Tancan; Gul, Nisa; Alan, Melike Busra; Ramoglu, Sabri Ilhan
2012-01-01
Objective We evaluated the detachment force, amount of deformation, fracture mode, and pull-out force of 3 different wires used for bonded lingual retainer fabrication. Methods We tested 0.0215-inch five-stranded wire (PentaOne, Masel; group I), 0.016 × 0.022-inch dead-soft eight-braided wire (Bond-A-Braid, Reliance; group II), and 0.0195-inch dead-soft coaxial wire (Respond, Ormco; group III). To test detachment force, deformation, and fracture mode, we embedded 94 lower incisor teeth in acrylic blocks in pairs. Retainer wires were bonded to the teeth and vertically directed force was applied to the wire. To test pull-out force, wires were embedded in composite that was placed in a hole at the center of an acrylic block. Tensile force was applied along the long axis of the wire. Results Detachment force and mode of fracture were not different between groups. Deformation was significantly higher in groups II and III than in group I (p < 0.001). Mean pull-out force was significantly higher for group I compared to groups II and III (p < 0.001). Conclusions Detachment force and fracture mode were similar for all wires, but greater deformations were seen in dead-soft wires. Wire pull-out force was significantly higher for five-stranded coaxial wire than for the other wires tested. Five-stranded coaxial wires are suggested for use in bonded lingual retainers. PMID:23112930
Assessment of post-contamination treatments affecting different bonding stages to dentin
Elkassas, Dina; Arafa, Abla
2016-01-01
Objectives: To assess the effect of cleansing treatments following saliva and blood contamination at different bonding stages to dentin. Materials and Methods: Labial surfaces of 168 permanent maxillary central incisors were ground flat exposing superficial dentin. Specimens were divided into: uncontaminated control (A), contamination after etching (B), contamination after adhesive application (C), contamination after adhesive polymerization (D). Groups were further subdivided according to cleansing treatments into: rinsing (B1, C1, D1), re-etching (B2, D3), sodium hypochlorite application (B3), ethyl alcohol application (C2), acetone application (C3), rinsing and rebonding (D2), re-etching and rebonding (D4). Composite microcylinders were bonded to treated substrates and shear loaded micro-shear bond strength (μSBS) until failure and treated surfaces were examined with scanning electron microscope. Debonded surfaces were classified as adhesive, cohesive or mixed failure. The data were analyzed using one-way ANOVA and Tukey's post hoc test. Results: The μSBS values were ranked as follow; Group B: A > B3 > B2 > B1 > B, Group C: A > C3 > C2 > C1 > C, Group D: A > D4 > D1 = D2 ≥ D3. Debonded surfaces showed adhesive failure in Group B while cohesive failure in Groups C and D. Conclusions: Cleansing treatments differ according to bonding step; re-etching then rebonding suggested if etched substrate or polymerized adhesive were contaminated while acetone application decontaminated affected unpolymerized adhesive. PMID:27403048
Influence of Different Etching Modes on Bond Strength to Enamel using Universal Adhesive Systems.
Diniz, Ana Cs; Bandeca, Matheus C; Pinheiro, Larissa M; Dos Santosh Almeida, Lauber J; Torres, Carlos Rg; Borges, Alvaro H; Pinto, Shelon Cs; Tonetto, Mateus R; De Jesus Tavarez, Rudys R; Firoozmand, Leily M
2016-10-01
The adhesive systems and the techniques currently used are designed to provide a more effective adhesion with reduction of the protocol application. The objective of this study was to evaluate the bond strength of universal adhesive systems on enamel in different etching modes (self-etch and total etch). The mesial and distal halves of 52 bovine incisors, healthy, freshly extracted, were used and divided into seven experimental groups (n = 13). The enamel was treated in accordance with the following experimental conditions: FUE-Universal System - Futurabond U (VOCO) with etching; FUWE - Futurabond U (VOCO) without etching; SB-Total Etch System - Single Bond 2 (3M); SBUE-Universal System - Single Bond Universal (3M ESPE) with etching; SBUWE - Single Bond Universal (3M ESPE) without etching; CLE-Self-etch System - Clearfil SE Bond (Kuraray) was applied with etching; CLWE - Clearfil SE Bond (Kuraray) without etching. The specimens were made using the composite spectrum TPH (Dentsply) and stored in distilled water (37 ± 1°C) for 1 month. The microshear test was performed using the universal testing machine EMIC DL 2000 with the crosshead speed of 0.5 mm/minute. The bond strength values were analyzed using statistical tests (Kruskal-Wallis test and Mann-Whitney test) with Bonferroni correction. There was no statistically significant difference between groups (p < 0.05), where FUE (36.83 ± 4.9 MPa) showed the highest bond strength values and SBUWE (18.40 ± 2.2 MPa) showed the lowest bond strength values. The analysis of adhesive interface revealed that most failures occurred between the interface composite resin and adhesive. The universal adhesive system used in dental enamel varies according to the trademark, and the previous enamel etching for universal systems and the self-etch both induced greater bond strength values. Selective enamel etching prior to the application of a universal adhesive system is a relevant strategy for better performance bonding.
Theobaldo, J D; Catelan, A; Rodrigues-Filho, U; Marchi, G M; Lima, Danl; Aguiar, Fhb
2016-01-01
To evaluate the microshear bond strength of composite resin restorations in dental blocks with or without exposure to cigarette smoke. Eighty bovine dental blocks were divided into eight groups (n=10) according to the type of adhesive (Scotchbond Multi-Purpose, 3M ESPE, St Paul, MN, USA [SBMP]; Single Bond 2, 3M ESPE [SB]; Clearfil SE Bond, Kuraray Medical Inc, Okayama, Japan [CSEB]; Single Bond Universal, 3M ESPE [SBU]) and exposure to smoke (no exposure; exposure for five days/20 cigarettes per day). The adhesive systems were applied to the tooth structure, and the blocks received a composite restoration made using a matrix of perforated pasta. Data were statistically analyzed using analysis of variance and Tukey test (α<0.05). For enamel, there was no difference between the presence or absence of cigarette smoke (p=0.1397); however, there were differences among the adhesive systems (p<0.001). CSEB showed higher values and did not differ from SBU, but both were statistically different from SB. The SBMP showed intermediate values, while SB demonstrated lower values. For dentin, specimens subjected to cigarette smoke presented bond strength values that were lower when compared with those not exposed to smoke (p<0.001). For the groups without exposure to cigarette smoke, CSEB showed higher values, differing from SBMP. SB and SBU showed intermediary values. For the groups with exposure to cigarette smoke, SBU showed values that were higher and statistically different from SB and CSEB, which presented lower values of bond strength. SBMP demonstrated an intermediate value of bond strength. The exposure of dentin to cigarette smoke influenced the bonding strength of adhesives, but no differences were noted in enamel.
An Exact Algebraic Evaluation of Path-Length Difference for Two-Source Interference
ERIC Educational Resources Information Center
Hopper, Seth; Howell, John
2006-01-01
When studying wave interference, one often wants to know the difference in path length for two waves arriving at a common point P but coming from adjacent sources. For example, in many contexts interference maxima occur where this path-length difference is an integer multiple of the wavelength. The standard approximation for the path-length…
NDT evaluation of long-term bond durability of CFRP-structural systems applied to RC highway bridges
NASA Astrophysics Data System (ADS)
Crawford, Kenneth C.
2016-06-01
The long-term durability of CFRP structural systems applied to reinforced-concrete (RC) highway bridges is a function of the system bond behavior over time. The sustained structural load performance of strengthened bridges depends on the carbon fiber-reinforced polymer (CFRP) laminates remaining 100 % bonded to concrete bridge members. Periodic testing of the CFRP-concrete bond condition is necessary to sustain load performance. The objective of this paper is to present a non-destructive testing (NDT) method designed to evaluate the bond condition and long-term durability of CFRP laminate (plate) systems applied to RC highway bridges. Using the impact-echo principle, a mobile mechanical device using light impact hammers moving along the length of a bonded CFRP plate produces unique acoustic frequencies which are a function of existing CFRP plate-concrete bond conditions. The purpose of this method is to test and locate CFRP plates de-bonded from bridge structural members to identify associated deterioration in bridge load performance. Laboratory tests of this NDT device on a CFRP plate bonded to concrete with staged voids (de-laminations) produced different frequencies for bonded and de-bonded areas of the plate. The spectra (bands) of frequencies obtained in these tests show a correlation to the CFRP-concrete bond condition and identify bonded and de-bonded areas of the plate. The results of these tests indicate that this NDT impact machine, with design improvements, can potentially provide bridge engineers a means to rapidly evaluate long lengths of CFRP laminates applied to multiple highway bridges within a national transportation infrastructure.
Predictors of length of stay in a ward for demented elderly: gender differences.
Ono, Toshiyuki; Tamai, Akira; Takeuchi, Daisuke; Tamai, Yuzuru; Iseki, Hidenori; Fukushima, Hiromi; Kasahara, Sumie
2010-09-01
In our previous studies, we found both gender differences among care recipients and predictors that influenced outcomes after discharge from a ward for demented elderly. Here, we investigate predictors that influence the length of stay for each sex. We studied the data of 390 patients with dementia who were hospitalized in a ward for demented elderly between 1 April 2000 and 31 March 2008, and treated until 31 March 2009. The patients were divided into groups classified by gender. We analyzed the gender differences of characteristics and evaluated the predictors that influenced the length of stay in the ward for demented elderly using Cox's proportional hazards model. A model using the initial scores of the Revised Hasegawa Dementia Scale (HDS-R), Assessment Scale for Symptoms of Dementia (ASSD) and Nishimura's activity of daily living scale (N-ADL), which were examined on admission, was named Model 1. In Model 1, we checked the effect of each patient's characteristics, except for complications and destinations, on their length of stay. Model 2 used the final scores of HDS-R, ASSD and N-ADL including complications and destinations. There was a clear gender difference in the length of stay. The length of stay of women was longer than that of men. It was difficult to predict the length of stay in Model 1. Age was the only predictor in women and no predictor was identified in men. In Model 2, complications and the final HDS-R and N-ADL scores were predictors of the length of stay in men. Age, complications and destinations were predictors of the length of stay in women. It was observed that there were gender differences among predictors of the length of stay. However, it was difficult to predict the length of stay on admission. Retrospectively, the length of stay was determined by physical and psychological conditions, not by the social variables in men. In women, it was supposed that the caregiver's wish to give care at home reduced the length of stay. Besides
DOE Office of Scientific and Technical Information (OSTI.GOV)
Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T. C.
Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.
Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T. C.; ...
2018-01-01
Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.
Microshear Bond Strength of Tri-Calcium Silicate-based Cements to Different Restorative Materials.
Cengiz, Esra; Ulusoy, Nuran
To evaluate the microshear bond strength of tri-calcium silicate-based materials to different restorative materials. Thirty-five disks of TheraCal LC and Biodentine were fabricated using teflon molds according to manufacturers' instructions. Then the specimens were randomly divided into 7 groups according to the materials applied: Fuji IX, Fuji II, Equia Fil, Vertise Flow, Filtek Bulk Fill Posterior Restorative, Filtek Z250 with Prime&Bond NT and with Clearfil SE Bond. All restorative materials were placed onto the disks using tygon tubes. Following a storage period, the specimens underwent microshear bond strength testing in a universal testing machine, and fracture modes were analyzed. Data were analyzed using one-way ANOVA and Tukey's post-hoc test. For all restorative materials, TheraCal LC showed significantly higher μSBS values compared to Biodentine. GIC based materials showed the lowest μSBS for TheraCal and Biodentine. For Biodentine, Filtek Z250 applied with Prime&Bond NT and Filtek Bulk Fill Posterior Restorative applied with Scotchbond Universal Adhesive exhibited the highest μSBS, while Filtek Z250 applied with Clearfil SE Bond revealed the highest bond strength to TheraCal LC. For all restorative materials tested in this study, TheraCal LC showed higher μSBS compared to Biodentine. For both TheraCal LC and Biodentine, the placement of GIC-based materials prior to composite resin restorations might decrease the bond strength. Composite resins applied with self-etching adhesives increased the bond strength of TheraCal LC; however, for Biodentine, application of etch-and-rinse adhesives may improve the adhesion of composite resins.
The influence of plain bar on bond strength of geopolymer concrete
NASA Astrophysics Data System (ADS)
Dewi, Evrianti Syntia; Ekaputri, Januarti Jaya
2017-06-01
This paper presents some results of experimental study of bond strength of plain bar embedded in geopolymer concrete. Fly ash class F was used as a raw material activated with alkali solutions. The combination of 8 Molar of sodium hydroxide (NaOH) and sodium silicate (Na2SiO3) as alkali activators was examined in the mixture with ratio of 2.5 by weight. Nine cubical specimens with a size of 150 × 150 × 150 mm were prepared to measure bond strength and slip between reinforcement and concrete. The influential factors studied for the experimental investigation were the diameter of reinforcement bar, bond area, and concrete cover to diameter (c/d) of reinforcement. The result showed that the average bond strength decreased as the diameter of plain bar and bonded length were increased from 16 mm to 19 mm. However, the 12 mm showed the different result allegedly caused by the effect of bond area and the passive confined provided by the concrete. Based on several equations used to compare the bond strength, it is clear that deformed bar of 12 mm in diameter is potential to increase the bond strength.
Vibrational states and optical transitions in hydrogen bonds
NASA Astrophysics Data System (ADS)
Johannsen, P. G.
1998-03-01
Proton energies in hydrogen bonds are mostly calculated using a double Morse potential (the DMP model). This form, however, does not reproduce the experimentally observed correlation between the proton stretching frequency and the bond length in an extended bond-length region sufficiently well. An alternative potential is proposed in the present paper. The quantum states of this non-symmetric double-well potential are calculated numerically using the Numerov (Fox-Goodwin) algorithm. It is shown that the optical spectra of hydrogen bonds in various substances can be well approximated on the basis of the transition frequencies and intensities predicted by the present model. For weakly interacting OH impurities in 0953-8984/10/10/008/img1, the overtone spectrum and line intensities are well reproduced, whereas the line broadenings and the decrease of the fundamental stretching frequencies in intermediate and strong hydrogen bonds are traced back to the influence of the reduced height of the central barrier. The model is also extrapolated to the range of symmetric hydrogen bonds, and the calculated transition frequencies are discussed with respect to most recent infra-red experiments on ice under strong compression. A possible artificial infra-red signal from strained diamond anvils is thereby noted.
Comparison of push-out bond strengths of Resilon with three different sealers.
Stiegemeier, Danielle; Baumgartner, J Craig; Ferracane, Jack
2010-02-01
The purpose of this study was to evaluate the push-out bond strengths of different obturating materials. Forty single-rooted human extracted teeth were used in this study. The teeth were instrumented and irrigated by using 5.25% NaOCl, 15% ethylenediaminetetraacetic acid, and sterile water. The teeth were then filled with Resilon/RealSeal, Resilon/RealSeal SE, Resilon/MetaSeal , or gutta-percha/Kerr EWT sealer. The roots were then sectioned into 1-mm-thick slices and subjected to vertical loading to displace the obturating material toward the coronal side of the slice. The bond strength was then calculated and subjected to statistical analysis. Slices were examined by using a stereomicroscope at 30x to determine the mode of failure. The mean push-out bond strengths were as follows: Resilon/RealSeal, 1.45 +/- 0.99 MPa; RealSeal SE, 0.88 +/- 0.49 MPa; Resilon/MetaSeal, 2.41 +/- 1.7 MPa; and gutta-percha/Kerr EWT sealer, 2.32 +/- 0.74 MPa. The push-out bond strengths of Resilon/MetaSeal and gutta-percha/Kerr EWT were significantly (P < .05) higher than either Resilon/RealSeal or Resilon/RealSeal SE. Resilon/MetaSeal and gutta-percha/Kerr EWT did not differ significantly. Copyright 2010 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.
Recrystallization texture in nickel heavily deformed by accumulative roll bonding
NASA Astrophysics Data System (ADS)
Mishin, O. V.; Zhang, Y. B.; Godfrey, A.
2017-07-01
The recrystallization behavior of Ni processed by accumulative roll bonding to a total accumulated von Mises strain of 4.8 has been examined, and analyzed with respect to heterogeneity in the deformation microstructure. The regions near the bonding interface are found to be more refined and contain particle deformation zones around fragments of the steel wire brush used to prepare the surface for bonding. Sample-scale gradients are also observed, manifested as differences between the subsurface, intermediate and central layers, where the distributions of texture components are different. These heterogeneities affect the progress of recrystallization. While the subsurface and near-interface regions typically contain lower frequencies of cube-oriented grains than anywhere else in the sample, a strong cube texture forms in the sample during recrystallization, attributed to both a high nucleation rate and fast growth rate of cube-oriented grains. The observations highlight the sensitivity of recrystallization to heterogeneity in the deformation microstructure and demonstrate the importance of characterizing this heterogeneity over several length scales.
Thermoplastic Ribbon-Ply Bonding Model
NASA Technical Reports Server (NTRS)
Hinkley, Jeffrey A.; Marchello, Joseph M.; Messier, Bernadette C.
1996-01-01
The aim of the present work was to identify key variables in rapid weldbonding of thermoplastic tow (ribbon) and their relationship to matrix polymer properties and to ribbon microstructure. Theoretical models for viscosity, establishment of ply-ply contact, instantaneous (Velcro) bonding, molecular interdiffusion (healing), void growth suppression, and gap filling were reviewed and synthesized. Consideration of the theoretical bonding mechanisms and length scales and of the experimental weld/peel data allow the prediction of such quantities as the time and pressure required to achieve good contact between a ribbon and a flat substrate, the time dependence of bond strength, pressures needed to prevent void growth from dissolved moisture and conditions for filling gaps and smoothing overlaps.
Tensile bond strength of veneering resins to PEEK: impact of different adhesives.
Stawarczyk, Bogna; Keul, Christine; Beuer, Florian; Roos, Malgorzata; Schmidlin, Patrick R
2013-01-01
This study tested tensile bond strength (TBS) between veneering resins and polyetheretherketone (PEEK) after pre-treatment with adhesive systems. Five-hundred-seventy-six PEEK disks were fabricated, air-abraded and divided into six pre-treatment groups (n=96/group): Z-Prime Plus, Ambarino P60, Monobond Plus, Visio.link, Signum PEEK Bond, and control group without pre-treatment. Each group was divided into three subgroups of different veneering resins (n=32): Sinfony, GC Gradia and VITA VM LC. After specimen preparation with a bond area of 6.6 mm(2), half of each subgroup (n=16) was tested initially, and the other half was thermo-cycled. TBS measurements were analysed by three-way and one-way ANOVA, t-test and Weibull statistics. Groups without pre-treatment and groups pre-treated by Z-Prime Plus and Ambarino P60 showed no TBS. Pre-treatment with Monobond Plus increased the TBS values. The highest TBS before and after thermo-cycling between PEEK and all tested veneering resins was observed for groups pre-treated with Visio.link and Signum PEEK Bond.
Finite Element Bond Modeling for Indented Wires in Pretensioned Concrete Crossties
DOT National Transportation Integrated Search
2016-04-12
Indented wires have been increasingly employed by : concrete crosstie manufacturers to improve the bond between : prestressing steel reinforcements and concrete, as bond can : affect several critical performance measures, including transfer : length,...
Dos Santos, Victor Hugo; Griza, Sandro; de Moraes, Rafael Ratto; Faria-E-Silva, André Luis
2014-02-01
Extensively destroyed teeth are commonly restored with composite resin before cavity preparation for indirect restorations. The longevity of the restoration can be related to the proper bonding of the resin cement to the composite. This study aimed to evaluate the microshear bond strength of two self-adhesive resin cements to composite resin. COMPOSITE DISCS WERE SUBJECT TO ONE OF SIX DIFFERENT SURFACE PRETREATMENTS: none (control), 35% phosphoric acid etching for 30 seconds (PA), application of silane (silane), PA + silane, PA + adhesive, or PA + silane + adhesive (n = 6). A silicone mold containing a cylindrical orifice (1 mm(2) diameter) was placed over the composite resin. RelyX Unicem (3M ESPE) or BisCem (Bisco Inc.) self-adhesive resin cement was inserted into the orifices and light-cured. Self-adhesive cement cylinders were submitted to shear loading. Data were analyzed by two-way ANOVA and Tukey's test (p < 0.05). Independent of the cement used, the PA + Silane + Adhesive group showed higher microshear bond strength than those of the PA and PA + Silane groups. There was no difference among the other treatments. Unicem presented higher bond strength than BisCem for all experimental conditions. Pretreatments of the composite resin surface might have an effect on the bond strength of self-adhesive resin cements to this substrate.
Marigo, Luca; D' Arcangelo, Camillo; DE Angelis, Francesco; Cordaro, Massimo; Vadini, Mirco; Lajolo, Carlo
2017-02-01
The purpose of this study was to evaluate the push-out bond strengths of four commercially available adhesive luting systems (two self-adhesive and two etch-and-rinse systems) after mechanical aging. Forty single-rooted anterior teeth were divided into four groups according to the luting cement system used: Cement-One (Group 1); One-Q-adhesive Bond + Axia Core Dual (Group 2); SmartCem® 2 (Group 3); and XP Bond® + Core-X™ Flow (Group 4). Anatomical Post was cemented in groups 1 and 2, and D.T. Light-Post Illusion was cemented in groups 3 and 4. All samples were subjected to masticatory stress simulation consisting of 300,000 cycles applied with a computer-controlled chewing simulator. Push-out bond strength values (MPa) were calculated at cervical, middle, and apical each level, and the total bond strengths were calculated as the averages of the three levels. Statistical analysis was performed with data analysis software and significance was set at P<0.05. Statistically significant differences in total bond strength were detected between the cements (Group 4: 3.28 MPa, Group 1: 2.77 MPa, Group 2: 2.36 MPa, Group 3: 1.13 MPa; P<0.05). Specifically, Group 1 exhibited a lower bond strength in the apical zone, Group 3 exhibited a higher strength in this zone, and groups 2 and 4 exhibited more homogeneous bonding strengths across the different anatomical zones. After artificial aging, etch-and-rinse luting systems exhibited more homogeneous bond strengths; nevertheless, Cement-One exhibited a total bond strength second only to Core-X Flow.
Dundar, Mine; Gungor, Mehmet Ali; Cal, Ebru; Darcan, Alev; Erdem, Adalet
2007-01-01
Because adherence of base metal alloys is important for the long-term clinical success of adhesive fixed partial dentures, it has been necessary to improve adhesion to metal substrate by using different surface treatments. This study used different surface conditioning methods and two different luting resins to evaluate the shear bond strength of base metal alloys to dentin and enamel. Sixty noncarious freshly extracted human teeth were mounted in a plastic holder filled with autopolymerized acrylic resin. After the roots were removed and 30 flat enamel and 30 flat dentin surfaces were exposed, the specimens were divided randomly into two main luting cement groups. Sixty nickel chromium (NiCr) metal specimens were fabricated and subjected to three different surface conditioning procedures: sandblasting with 50 microm aluminum oxide, tribochemical silica coating, and a combination of the two. Scanning electron mircoscopy (SEM) evaluations revealed mainly cohesive failures. Self-cure adhesive resulted in higher bond strengths to dental substrates. Higher bond strengths were achieved through a combination of sandblasting and tribochemical silica coating; however, further clinical research is required. A surface treatment that combines sandblasting with tribochemical silica coating can achieve a more effective bond for adhesive restorations with metal substrates.
Davari, Abdolrahim; Mousvinasab, Majid; Kazemi, Alireza Danesh; Rouzbeh, Reza
2013-01-01
Solvent content of a contemporary dental adhesive affect the bonding process, especially in the case of acetone based adhesives. The aim of this study was to evaluate the effect of different air-drying periods on microtensile bond strength (MTBS) of a total-etch adhesive to dentin. Prime & Bond NT (Dentsply-USA) was used with different air-drying periods (0, 2, 5, 10, 30sec) for bonding a composite resin to prepared dentin. The specimens were then subjected to a tensile force until fracture and the MTBSs of the samples were recorded. Failure modes of the fractured samples were also determined using stereomicroscope and scanning electron microscopy. Data were analyzed using ANOVA and Bonferroni tests (P = 0.05). With increasing the air-drying periods, the MTBSs were increased until the 5 second air-blowing; after that, with increasing the air-drying periods, the MTBSs decreased. Both, the most complicated failure and the strongest bond were seen in the 5 sec air-drying group. There is an optimum air-drying time for acetone based adhesives which results in the strongest bond to dentin.
2018-01-01
Objectives The aim of this in vitro study was to evaluate the bond strength of 2 universal adhesives used in different application modes to bleached enamel. Materials and Methods Extracted 160 sound human incisors were used for the study. Teeth were divided into 4 treatment groups: No treatment, 35% hydrogen peroxide, 16% carbamid peroxide, 7.5% carbamid peroxide. After bleaching treatments, groups were divided into subgroups according to the adhesive systems used and application modes (n = 10): 1) Single Bond Universal, etch and rinse mode; 2) Single Bond Universal, self-etch mode; 3) Gluma Universal, etch and rinse mode; 4) Gluma Universal, self-etch mode. After adhesive procedures nanohybrid composite resin cylinders were bonded to the enamel surfaces. All specimens were subjected to shear bond strength (SBS) test after thermocycling. Data were analyzed using a 3-way analysis of variance (ANOVA) and Tukey post hoc test. Results No significant difference were found among bleaching groups (35% hydrogen peroxide, 16% carbamid peroxide, 7.5% carbamid peroxide, and no treatment groups) in the mean SBS values. There was also no difference in SBS values between Single Bond Universal and Gluma Universal at same application modes, whereas self-etch mode showed significantly lower SBS values than etch and rinse mode (p < 0.05). Conclusions The bonding performance of the universal adhesives was enhanced with the etch and rinse mode application to bleached enamel and non-bleached enamel. PMID:29765900
Szep, Susanne; Langner, Nicole; Bayer, Silja; Börnichen, Diana; Schulz, Christoph; Gerhardt, Thomas; Schriever, Anette; Becker, Joachim; Heidemann, Detlef
2003-02-01
There are no data available on whether or to what extent hydrofluoric acid affects the marginal integrity of dentin-bonded composite restorations when it is used instead of phosphoric acid in the total-etch technique. This in vitro study examined the etching effects of phosphoric acid versus a combination of phosphoric and hydrofluoric acid by evaluation of microleakage in a composite restoration bonded with different dentin adhesive systems. Extracted teeth (n = 90) containing 2 class II preparations, mesial occlusal (MO) and distal occlusal (DO) standarized (cervical margins in dentin) were perfused with Ringer solution and etched in 1 of 2 ways: with phosphoric acid only or with phosphoric combined with hydrofluoric acid. Different dentin bonding agents were then applied (Etch & Prime 3.0, Optibond Solo, Prime & Bond NT, Scotchbond 1, Syntac Single Component, or Syntac Sprint; (n = 15 for each etching material)). The preparations were restored with a hybrid composite (Herculite XRV) and submitted to 5000 thermocycles (5 degrees C to 55 degrees C) to simulate the in vivo situation. Microleakage was assessed with 2% methylene blue diffusion for 24 hours. Dye penetration was calculated as a percentage of the total length of the gingival margins of the preparation with light microscopy at original magnification x 32. The results were analyzed with the Kruskal-Wallis multiple comparison z-value assay (alpha = .05). Differences in dye penetration were significant, both as a function of the dentin adhesive and the conditioning mode applied. In the specimen groups conditioned with phosphoric acid, Optibond Solo (54% +/- 44%) and Syntac Sprint (74% +/- 39%) demonstrated the lowest penetration values. Higher values were obtained for Prime & Bond NT (81% +/- 34%), Scotchbond 1 (83% +/- 31%), Etch & Prime 3.0 (85% +/- 33%), and Syntac Single Component (95% +/- 16%), with no significant differences (alpha=.05) between specimen groups. The best results were obtained for
Influence of Hot-Etching Surface Treatment on Zirconia/Resin Shear Bond Strength
Lv, Pin; Yang, Xin; Jiang, Ting
2015-01-01
This study was designed to evaluate the effect of hot-etching surface treatment on the shear bond strength between zirconia ceramics and two commercial resin cements. Ceramic cylinders (120 units; length: 2.5 mm; diameter: 4.7 mm) were randomly divided into 12 groups (n = 10) according to different surface treatments (blank control; airborne-particle-abrasion; hot-etching) and different resin cements (Panavia F2.0; Superbond C and B) and whether or not a thermal cycling fatigue test (5°–55° for 5000 cycles) was performed. Flat enamel surfaces, mounted in acrylic resin, were bonded to the zirconia discs (diameter: 4.7 mm). All specimens were subjected to shear bond strength testing using a universal testing machine with a crosshead speed of 1 mm/min. All data were statistically analyzed using one-way analysis of variance and multiple-comparison least significant difference tests (α = 0.05). Hot-etching treatment produced higher bond strengths than the other treatment with both resin cements. The shear bond strength of all groups significantly decreased after the thermal cycling test; except for the hot-etching group that was cemented with Panavia F2.0 (p < 0.05). Surface treatment of zirconia with hot-etching solution enhanced the surface roughness and bond strength between the zirconia and the resin cement. PMID:28793699
Ahangar Atashi, Mohammad Hossein; Sadr Haghighi, Amir Hooman; Nastarin, Parastou; Ahangar Atashi, Sina
2018-01-01
Background. Bracket base design is a factor influencing shear bond strength. High shear bond strength leads to enamel crack formation during debonding. The aim of this study was to compare enamel damage variations, including the number and length of enamel cracks after debonding of two different base designs. Methods. Eighty-eight extracted human premolars were randomly divided into2 groups (n=44). The teeth in each group were bonded by two types of brackets with different base designs: 80-gauge mesh design versus anchor pylon design with pylons for adhesive retention. The number and length of enamel cracks before bonding and after debonding were evaluated under an optical stereomicroscope ×40 in both groups. Mann-Whitney U test was used to compare the number of cracks between the two groups. ANCOVA was used for comparison of crack lengths after and before debonding in each group and between the two groups. Results. There was a significant increase in enamel crack length and numbers in each group after debonding. There was no significant difference in enamel crack numbers after debonding between the two groups, whereas the length of enamel cracks was significantly greater in anchor pylon base design after debonding. Conclusion. Bracket bases with pylon design for adhesive retention caused more iatrogenic debonding damage to enamel surface.
Gupta, Nimisha; Tripathi, Abhay Mani; Saha, Sonali; Dhinsa, Kavita; Garg, Aarti
2015-07-01
Newer development of bonding agents have gained a better understanding of factors affecting adhesion of interface between composite and dentin surface to improve longevity of restorations. The present study evaluated the influence of salivary contamination on the tensile bond strength of different generation adhesive systems (two-step etch-and-rinse, two-step self-etch and one-step self-etch) during different bonding stages to dentin where isolation is not maintained. Superficial dentin surfaces of 90 extracted human molars were randomly divided into three study Groups (Group A: Two-step etch-and-rinse adhesive system; Group B: Two-step self-etch adhesive system and Group C: One-step self-etch adhesive system) according to the different generation of adhesives used. According to treatment conditions in different bonding steps, each Group was further divided into three Subgroups containing ten teeth in each. After adhesive application, resin composite blocks were built on dentin and light cured subsequently. The teeth were then stored in water for 24 hours before sending for testing of tensile bond strength by Universal Testing Machine. The collected data were then statistically analysed using one-way ANOVA and Tukey HSD test. One-step self-etch adhesive system revealed maximum mean tensile bond strength followed in descending order by Two-step self-etch adhesive system and Two-step etch-and-rinse adhesive system both in uncontaminated and saliva contaminated conditions respectively. Unlike One-step self-etch adhesive system, saliva contamination could reduce tensile bond strength of the two-step self-etch and two-step etch-and-rinse adhesive system. Furthermore, the step of bonding procedures and the type of adhesive seems to be effective on the bond strength of adhesives contaminated with saliva.
Saladi, Hari Krishna; Bollu, Indira Priyadarshini; Burla, Devipriya; Ballullaya, Srinidhi Vishnu; Devalla, Srihari; Maroli, Sohani; Jayaprakash, Thumu
2015-01-01
Introduction The bond strength of the composite to the bleached enamel plays a very important role in the success and longevity of an aesthetic restoration. Aim The aim of this study was to compare and evaluate the effect of Aloe Vera with 10% Sodium Ascorbate on the Shear bond strength of composite resin to bleached human enamel. Materials and Methods Fifty freshly extracted human maxillary central incisors were selected and divided into 5 groups. Group I and V are unbleached and bleached controls groups respectively. Group II, III, IV served as experimental groups. The labial surfaces of groups II, III, IV, V were treated with 35% Carbamide Peroxide for 30mins. Group II specimens were subjected to delayed composite bonding. Group III and IV specimens were subjected to application of 10% Sodium Ascorbate and leaf extract of Aloe Vera following the Carbamide Peroxide bleaching respectively. Specimens were subjected to shear bond strength using universal testing machine and the results were statistically analysed using ANOVA test. Tukey (HSD) Honest Significant Difference test was used to comparatively analyse statistical differences between the groups. A p-value <0.05 is taken as statistically significant. Results The mean shear bond strength values of Group V showed significantly lower bond strengths than Groups I, II, III, IV (p-value <0.05). There was no statistically significant difference between the shear bond strength values of groups I, II, III, IV. Conclusion Treatment of the bleached enamel surface with Aloe Vera and 10% Sodium Ascorbate provided consistently better bond strength. Aloe Vera may be used as an alternative to 10% Sodium Ascorbate. PMID:26674656
Microphase separation of comb copolymers with two different lengths of side chains
NASA Astrophysics Data System (ADS)
Aliev, M. A.; Kuzminyh, N. Yu.
2009-10-01
The phase behavior of the monodisperse AB comb copolymer melt contained the macromolecules of special architecture is discussed. Each macromolecule is assumed to be composed of two comb blocks which differ in numbers of side chains and numbers of monomer units in these chains. It is shown (by analysis of the structure factor of the melt) that microphase separation at two different length scales in the melt is possible. The large and small length scales correspond to separation between comb blocks and separation between monomer units in repeating fragments of blocks, respectively. The classification diagrams indicated which length scale is favored for a given parameters of chemical structure of macromolecules are constructed.
Carotid-Femoral Pulse Wave Velocity: Impact of Different Arterial Path Length Measurements
Sugawara, Jun; Hayashi, Koichiro; Yokoi, Takashi; Tanaka, Hirofumi
2009-01-01
Background Carotid-femoral pulse wave velocity (PWV) is the most established index of arterial stiffness. Yet there is no consensus on the methodology in regard to the arterial path length measurements conducted on the body surface. Currently, it is not known to what extent the differences in the arterial path length measurements affect absolute PWV values. Methods Two hundred fifty apparently healthy adults (127 men and 123 women, 19-79 years) were studied. Carotid-femoral PWV was calculated using (1) the straight distance between carotid and femoral sites (PWVcar–fem), (2) the straight distance between suprasternal notch and femoral site minus carotid arterial length (PWV(ssn–fem)-(ssn–car)), (3) the straight distance between carotid and femoral sites minus carotid arterial length (PWV(car–fem)-(ssn–car)), and (4) the combined distance from carotid site to the umbilicus and from the umbilicus to femoral site minus carotid arterial length (PWV(ssn–umb–fem)-(ssn–car)). Results All the calculated PWV were significantly correlated with each other (r=0.966-0.995). PWV accounting for carotid arterial length were 16-31% lower than PWVcar–fem. PWVcar–fem value of 12 m/sec corresponded to 8.3 m/sec for PWV(ssn–fem)-(ssn–car), 10.0 m/sec for PWV(car–fem)-(ssn–car), and 8.9 m/sec for PWV(ssn–umb–fem)-(ssn–car). Conclusion Different body surface measurements used to estimate arterial path length would produce substantial variations in absolute PWV values. PMID:20396400
Phase behaviors of supramolecular graft copolymers with reversible bonding
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Xu; Wang, Liquan, E-mail: jlin@ecust.edu.cn, E-mail: lq-wang@ecust.edu.cn; Jiang, Tao
2013-11-14
Phase behaviors of supramolecular graft copolymers with reversible bonding interactions were examined by the random-phase approximation and real-space implemented self-consistent field theory. The studied supramolecular graft copolymers consist of two different types of mutually incompatible yet reactive homopolymers, where one homopolymer (backbone) possesses multifunctional groups that allow second homopolymers (grafts) to be placed on. The calculations carried out show that the bonding strength exerts a pronounced effect on the phase behaviors of supramolecular graft copolymers. The length ratio of backbone to graft and the positions of functional groups along the backbone are also of importance to determine the phase behaviors.more » Phase diagrams were constructed at high bonding strength to illustrate this architectural dependence. It was found that the excess unbounded homopolymers swell the phase domains and shift the phase boundaries. The results were finally compared with the available experimental observations, and a well agreement is shown. The present work could, in principle, provide a general understanding of the phase behaviors of supramolecular graft copolymers with reversible bonding.« less
Hydrogen bonding in water clusters and their ionized counterparts.
Neela, Y Indra; Mahadevi, A Subha; Sastry, G Narahari
2010-12-30
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of water clusters (H(2)O)(n), n = 2-20, represented as W1D, W2D, W2DH, and W3D. The variation in the strength of hydrogen bond as a function of the chain length is studied. In all the four cases, there is a substantial cooperative interaction, albeit in different degrees. The effect of basis set superposition error (BSSE) on the complexation energy of water clusters has been analyzed. Atoms in molecules (AIM) analysis performed to evaluate the nature of the hydrogen bonding shows a high correlation between hydrogen bond strength and the trends in complexation energy. Solvated water clusters exhibit lower complexation energies compared to corresponding gas-phase geometries on PCM (polarized continuum model) optimization. The feasibility of stripping an electron or addition of an electron increases dramatically as the cluster size increases. Although W3D caged structures are stable for neutral clusters, the helical W2DH arrangement appeared to be an optimal choice for its ionized counterparts.
Bonding resin thixotropy and viscosity influence on dentine bond strength.
Niem, Thomas; Schmidt, Alexander; Wöstmann, Bernd
2016-08-01
To investigate the influence of bonding resin thixotropy and viscosity on dentine tubule penetration, blister formation and consequently on dentine bond strength as a function of air-blowing pressure (air-bp) intensity. Two HEMA-free, acetone-based, one-bottle self-etch adhesives with similar composition except disparate silica filler contents and different bonding resin viscosities were investigated. The high-filler-containing adhesive (G-Bond) featured a lower viscous bonding resin with inherent thixotropic resin (TR) properties compared to the low-filler-containing adhesive (iBond) exhibiting a higher viscous bonding resin with non-thixotropic resin (NTR) properties. Shear bond strength tests for each adhesive with low (1.5bar; 0.15MPa; n=16) and high (3.0bar; 0.30MPa; n=16) air-bp application were performed after specimen storage in distilled water (24h; 37.0±1.0°C). Results were analysed using a Student's t-test to identify statistically significant differences (p<0.05). Fracture surfaces of TR adhesive specimens were morphologically characterised by SEM. Statistically significant bond strength differences were obtained for the thixotropic resin adhesive (high-pressure: 24.6MPa, low-pressure: 9.6MPa). While high air-bp specimens provided SEM images revealing resin-plugged dentine tubules, resin tags and only marginally blister structures, low air-bp left copious droplets and open dentine tubules. In contrast, the non-thixotropic resin adhesive showed no significant bond strength differences (high-pressure: 9.3MPa, low-pressure: 7.6MPa). A pressure-dependent distinct influence of bonding resin thixotropy and viscosity on dentine bond strength has been demonstrated. Stronger adhesion with high air-bp application is explained by improved resin fluidity and facilitated resin penetration into dentine tubules. Filler particles used in adhesive systems may induce thixotropic effects in bonding resin layers, accounting for improved free-flowing resin properties. In
Liu, Wenjia; Fu, Jing; Liao, Shuang; Su, Naichuan; Wang, Hang; Liao, Yunmao
2014-04-01
The objective of this research is to evaluate the effects of different silane coupling agents on the bond strength between Ceramco3 opaque porcelain and indirect composite resin. Five groups of Co-Cr metal alloy substrates were fabricated according to manufacturer's instruction. The surface of metal alloy with a layer of dental opaque porcelain was heated by fire. After the surface of opaque porcelain was etched, five different surface treatments, i.e. RelyX Ceramic Primer (RCP), Porcelain Bond Activator and SE Bond Primer (mixed with a proportion of 1:1) (PBA), Shofu Porcelain Primer (SPP), SE bond primer (SEP), and no primer treatment (as a control group), were used to combine P60 and opaque porcelain along with resin cement. Shear bond strength of specimens was tested in a universal testing machine. The failure modes of specimens in all groups were observed and classified into four types. Selected specimens were subjected to scanning electron microscope and energy disperse spectroscopy to reveal the relief of the fracture surface and to confirm the failure mode of different types. The experimental results showed that the values of the tested items in all the tested groups were higher than that in the control group. Group PBA exhibited the highest value [(37.52 +/- 2.14) MPa] and this suggested a fact that all of the specimens in group PBA revealed combined failures (failure occurred in metal-porcelain combined surface and within opaque porcelain). Group SPP and RCP showed higher values than SEP (P < 0.05) and most specimens of SPP and RCP performed combined failures (failure occurred in bond surface and within opaque porcelain or composite resin) while all the specimens in group SEP and control group revealed adhesive failures. Conclusions could be drawn that silane coupling agents could reinforce the bond strength of dental composite resin to metal-opaque porcelain substrate. The bond strength between dental composite resin and dental opaque porcelain could
Linear finite-difference bond graph model of an ionic polymer actuator
NASA Astrophysics Data System (ADS)
Bentefrit, M.; Grondel, S.; Soyer, C.; Fannir, A.; Cattan, E.; Madden, J. D.; Nguyen, T. M. G.; Plesse, C.; Vidal, F.
2017-09-01
With the recent growing interest for soft actuation, many new types of ionic polymers working in air have been developed. Due to the interrelated mechanical, electrical, and chemical properties which greatly influence the characteristics of such actuators, their behavior is complex and difficult to understand, predict and optimize. In light of this challenge, an original linear multiphysics finite difference bond graph model was derived to characterize this ionic actuation. This finite difference scheme was divided into two coupled subparts, each related to a specific physical, electrochemical or mechanical domain, and then converted into a bond graph model as this language is particularly suited for systems from multiple energy domains. Simulations were then conducted and a good agreement with the experimental results was obtained. Furthermore, an analysis of the power efficiency of such actuators as a function of space and time was proposed and allowed to evaluate their performance.
[Bond strengths of absorbable polylactic acid root canal post with three different adhesives].
Pan, Hui; Cheng, Can; Hu, Jia; Liu, He; Sun, Zhi-hui
2015-12-18
To find absorbable adhesives with suitable bonding properties for the absorbable polylactic acid root canal post. To test and compare the bond strengths of absorbable polylactic acid root canal post with three different adhesives. The absorbable polylactic acid root canal posts were used to restore the extracted teeth, using 3 different adhesives: cyanoacrylates, fibrin sealant and glass ionomer cement. The teeth were prepared into slices for micro-push-out test. The bond strength was statistically analyzed using ANOVA. The specimens were examined using microscope and the failure mode was divided into four categories: cohesive failure between absorbable polylactic acid root canal posts and adhesives, cohesive failure between dentin and adhesives, failure within the adhesives and failure within the absorbable polylactic acid root canal posts. The bond strength of cyanoacrylates [(16.83 ± 6.97) MPa] and glass ionomer cement [(12.10 ± 5.09) MPa] were significantly higher than fibrin sealant [(1.17 ± 0.50) MPa], P<0.001. There was no significant difference between cyanoacrylates and glass ionomer cement (P=0.156). In the group of cyanoacrylates, the cohesive failure between the absorbable polylactic acid root canal posts and the adhesives was 25.0%, the cohesive failure between the dentin and the adhesives was 16.7%, the failure within the adhesives was 33.3%, and the failure within the absorbable polylactic acid root canal posts was 25.0%. In the group of fibrin sealant, the cohesive failure between the absorbable polylactic acid root canal posts and the adhesives was 66.7%, the cohesive failure between the dentin and the adhesives was 22.2%, the failure within the adhesives was 11.1%. In the group of glass ionomer cement, the cohesive failure between the absorbable polylactic acid root canal posts and the adhesives was 87.5%, the failure within the adhesives was 12.5%. The major failure mode in fibrin sealant and glass ionomer cement was the cohesive failure
Minnesota wolf ear lengths as possible indicators of taxonomic differences
Mech, L. David
2011-01-01
Genetic findings suggest that 2 types of wolves, Canis lupus (Gray Wolf) and C. lycaon (Eastern Wolf), and/or their hybrids occupy Minnesota (MN), and this study examines adult wolf ear lengths as a possible distinguisher between these two. Photographic evidence suggested that the Eastern Wolf possesses proportionately longer ears than Gray Wolves. Ear lengths from 22 northwestern MN wolves from the early 1970s and 22 Alaskan wolves were used to represent Gray Wolves, and the greatest length of the sample (12.8 cm) was used as the least length to demarcate Eastern Wolf from Gray Wolf influence in the samples. Twenty-three percent of 112 adult wolves from Algonquin Park in eastern Ontario and 30% of 106 recent adult wolves in northeastern MN possessed ears >12.8 cm. The northeastern MN sample differed significantly from that of current and past northwestern MN wolves. Ear-lengths of wolves in the eastern half of the northeastern MN wolf population were significantly longer than those in the western half of that study area, even though the mean distance between the 2 areas was only 40 km, and the mean length of my 2004–2009 sample was significantly longer than that of 1999–2003. These findings support the hypothesis that Eastern Wolves tend to possess longer ears than do Gray Wolves and suggest a dynamic hybridization process is still underway in MN.
Kondo length in bosonic lattices
NASA Astrophysics Data System (ADS)
Giuliano, Domenico; Sodano, Pasquale; Trombettoni, Andrea
2017-09-01
Motivated by the fact that the low-energy properties of the Kondo model can be effectively simulated in spin chains, we study the realization of the effect with bond impurities in ultracold bosonic lattices at half filling. After presenting a discussion of the effective theory and of the mapping of the bosonic chain onto a lattice spin Hamiltonian, we provide estimates for the Kondo length as a function of the parameters of the bosonic model. We point out that the Kondo length can be extracted from the integrated real-space correlation functions, which are experimentally accessible quantities in experiments with cold atoms.
Molecularly Tuning the Radicaloid N-H···O═C Hydrogen Bond.
Lu, Norman; Chung, Wei-Cheng; Ley, Rebecca M; Lin, Kwan-Yu; Francisco, Joseph S; Negishi, Ei-Ichi
2016-03-03
Substituent effects on the open shell N-H···O═C hydrogen-bond has never been reported. This study examines how 12 functional groups composed of electron donating groups (EDG), halogen atoms and electron withdrawing groups (EWG) affect the N-H···O═C hydrogen-bond properties in a six-membered cyclic model system of O═C(Y)-CH═C(X)N-H. It is found that group effects on this open shell H-bonding system are significant and have predictive trends when X = H and Y is varied. When Y is an EDG, the N-H···O═C hydrogen-bond is strengthened; and when Y is an EWG, the bond is weakened; whereas the variation in electronic properties of X group do not exhibit a significant impact upon the hydrogen bond strength. The structural impact of the stronger N-H···O═C hydrogen-bond are (1) shorter H and O distance, r(H···O) and (2) a longer N-H bond length, r(NH). The stronger N-H···O═C hydrogen-bond also acts to pull the H and O in toward one another which has an effect on the bond angles. Our findings show that there is a linear relationship between hydrogen-bond angle and N-H···O═C hydrogen-bond energy in this unusual H-bonding system. In addition, there is a linear correlation of the r(H···O) and the hydrogen bond energy. A short r(H···O) distance corresponds to a large hydrogen bond energy when Y is varied. The observed trends and findings have been validated using three different methods (UB3LYP, M06-2X, and UMP2) with two different basis sets.
Tugut, Faik; Coskun, Mehmet Emre; Dogan, Derya Ozdemir; Kirmali, Omer; Akin, Hakan
2016-06-01
The bond strength of soft denture liner to a recently introduced denture base resin after thermocycling has not been compared to traditional denture base materials. The objective of this study was to investigate the effects of thermocycling on the tensile bond strength of soft denture liners to two chemically different denture base resins, polymethyl methacrylate (PMMA) and urethane dimethacrylate (UDMA). A total of 48 PMMA and UDMA tensile test specimens were fabricated by attaching two different soft denture liners (Molloplast-B, Permaflex) according to the manufacturers' instructions and assigned to two groups. Half of the specimens for each group were stored in water for 1 week, and the other half were thermocycled (5000 cycles) between baths of 5°C and 55°C. Specimens were mounted on a universal testing machine with a 5 mm/min crosshead speed. The data were analyzed with three-way ANOVA and post hoc Tukey-Kramer multiple comparisons tests (α = 0.05). The highest bond strength was measured in the specimens from the UDMA/Molloplast groups, and the lowest was seen in the PMMA/Permaflex group. No significant difference in bond strength was detected in PMMA/Permaflex groups after thermocycling (p = 0.082), whereas other groups exhibited significant differences after thermocycling (p < 0.05). Thermocycling decreased the bond strength values in both the PMMA and UDMA groups. Regardless of types of soft liners, PMMA specimens presented lower bond strength values than UDMA specimens, both before and after thermocycling. © 2015 by the American College of Prosthodontists.
Quantifying adsorption-induced deformation of nanoporous materials on different length scales
Morak, Roland; Braxmeier, Stephan; Ludescher, Lukas; Hüsing, Nicola; Reichenauer, Gudrung
2017-01-01
A new in situ setup combining small-angle neutron scattering (SANS) and dilatometry was used to measure water-adsorption-induced deformation of a monolithic silica sample with hierarchical porosity. The sample exhibits a disordered framework consisting of macropores and struts containing two-dimensional hexagonally ordered cylindrical mesopores. The use of an H2O/D2O water mixture with zero scattering length density as an adsorptive allows a quantitative determination of the pore lattice strain from the shift of the corresponding diffraction peak. This radial strut deformation is compared with the simultaneously measured macroscopic length change of the sample with dilatometry, and differences between the two quantities are discussed on the basis of the deformation mechanisms effective at the different length scales. It is demonstrated that the SANS data also provide a facile way to quantitatively determine the adsorption isotherm of the material by evaluating the incoherent scattering contribution of H2O at large scattering vectors. PMID:29021735
Influence of different adhesive systems on the pull-out bond strength of glass fiber posts.
da Silva, Luciana Mendonça; Andrade, Andréa Mello de; Machuca, Melissa Fernanda Garcia; da Silva, Paulo Maurício Batista; da Silva, Ricardo Virgolino C; Veronezi, Maria Cecília
2008-01-01
This in vitro study evaluated the tensile bond strength of glass fiber posts (Reforpost - Angelus-Brazil) cemented to root dentin with a resin cement (RelyX ARC - 3M/ESPE) associated with two different adhesive systems (Adper Single Bond - 3M/ESPE and Adper Scotchbond Multi Purpose (MP) Plus - 3M/ESPE), using the pull-out test. Twenty single-rooted human teeth with standardized root canals were randomly assigned to 2 groups (n=10): G1- etching with 37% phosphoric acid gel (3M/ESPE) + Adper Single Bond + #1 post (Reforpost - Angelus) + four #1 accessory posts (Reforpin - Angelus) + resin cement; G2- etching with 37% phosphoric acid gel + Adper Scotchbond MP Plus + #1 post + four #1 accessory posts + resin cement. The specimens were stored in distilled water at 37 degrees C for 7 days and submitted to the pull-out test in a universal testing machine (EMIC) at a crosshead speed of 0.5 mm/min. The mean values of bond strength (kgf) and standard deviation were: G1- 29.163 +/- 7.123; G2- 37.752 +/-13.054. Statistical analysis (Student's t-test; a=0.05 showed no statistically significant difference (p<0.05) between the groups. Adhesive bonding failures between resin cement and root canal dentin surface were observed in both groups, with non-polymerized resin cement in the apical portion of the post space when Single Bond was used (G1). The type of adhesive system employed on the fiber post cementation did not influence the pull-out bond strength.
Social bonds and rank acquisition in raven nonbreeder aggregations
Braun, Anna; Bugnyar, Thomas
2012-01-01
Complex social life has been characterized as cognitively challenging and recently, social relationships such as long-term social bonds and alliances have been identified as key elements for brain evolution. Whereas good evidence is available to support the link between social relations and cognition in mammals, it remains unsatisfying for birds. Here we investigated the role of avian social bonds in a nonbreeder aggregation of ravens, Corvus corax, in the Austrian Alps. We individually marked 138 wild ravens, representing approximately half of a population that uses the area of a local zoo for foraging. For 2 years, we observed the dynamics of group composition and the birds' agonistic and affiliative interactions. We identified two levels of organization: the formation of an unrelated local group and the individuals' engagement in social bonds of different length and reciprocity pattern. Whereas belonging to the local group had no significant effect on conflicts won during foraging, the individual bonding type did. Birds that engaged in affiliative relationships were more successful when competing for food than those without such bonds. Bonded birds did suffer from aggression by other bonded birds and, probably as a consequence, most of the ravens' social relations were not stable over time. These results support the idea that social bonding and selective cooperation and competition are prominent features in nonbreeding ravens. Proximately, bonding may qualify as a social manoeuvre that facilitates access to resources; ultimately it might function to assess the quality of a partner in these long-term monogamous birds. PMID:23264693
Manalo, Marlon N; Kong, Xiangming; LiWang, Andy
2007-04-01
Hydrogen-bond lengths of nucleic acids are (1) longer in DNA than in RNA, and (2) sequence dependent. The physicochemical basis for these variations in hydrogen-bond lengths is unknown, however. Here, the notion that hydration plays a significant role in nucleic acid hydrogen-bond lengths is tested. Watson-Crick N1...N3 hydrogen-bond lengths of several DNA and RNA duplexes are gauged using imino 1J(NH) measurements, and ethanol is used as a cosolvent to lower water activity. We find that 1J(NH) values of DNA and RNA become less negative with added ethanol, which suggests that mild dehydration reduces hydrogen-bond lengths even as the overall thermal stabilities of these duplexes decrease. The 1J(NH) of DNA are increased in 8 mol% ethanol to those of RNA in water, which suggests that the greater hydration of DNA plays a significant role in its longer hydrogen bonds. The data also suggest that ethanol-induced dehydration is greater for the more hydrated G:C base pairs and thereby results in greater hydrogen-bond shortening than for the less hydrated A:T/U base pairs of DNA and RNA.
Seganfredo, Ana Carolina Gaspar; Torres, Mariana; Salum, Giovanni Abrahão; Blaya, Carolina; Acosta, Jandira; Eizirik, Cláudio; Manfro, Gisele Gus
2009-12-01
The aim of this study is to evaluate the association between childhood trauma and the quality of parental bonding in panic disorder compared to non-clinical controls. 123 patients and 123 paired controls were evaluated with the Mini International Neuropsychiatric Interview, the Childhood Trauma Questionnaire and the Parental Bonding Instrument. The Parental Bonding Instrument and the Childhood Trauma Questionnaire were highly correlated. Panic disorder patients presented higher rates of emotional abuse (OR = 2.54, p = 0.001), mother overprotection (OR = 1.98, p = 0.024) and father overprotection (OR = 1.84, p = 0.041) as compared to controls. Among men with panic disorder, only mother overprotection remained independently associated with panic disorder (OR = 3.28, p = 0.032). On the other hand, higher father overprotection (OR = 2.2, p = 0.017) and less father warmth (OR = 0.48, p = 0.039) were independently associated with panic disorder among female patients. Higher rates of different types of trauma, especially emotional abuse, are described in panic disorder patients as compared to controls. The differences regarding gender and parental bonding could be explained in the light of the psychodynamic theory.
Claire, J; Williams, P T
2001-03-01
Gallium and indium-containing alloys have demonstrated an ability to wet and bond to many types of materials including enamel. The purpose of this study was to evaluate and compare the bond strengths of a gallium-and-indium-containing alloy and a dental amalgam to human enamel surfaces. A flat enamel bonding surface was created by slicing recently extracted human molars with a 180-grit diamond wheel. Cylinders of amalgam or a gallium-indium alloy were bonded to the as-cut surfaces or to as-cut surfaces that had been pumiced, air-abraded or acid-etched for various times. Before testing, samples were stored under different conditions (100% humidity, immersed in water, thermocycled). The shear-bond strength was determined using a crosshead speed of 0.1 mm x min(-1). Sample size was 10. Data was subjected to ANOVA and a post-hoc Tukey's test. The bond strength of amalgam to enamel was zero. The bond strength of the gallium-indium alloy ranged between 6.5 MPa (10s etch with 10% phosphoric acid) and 4.2 MPa (pumiced enamel). Acid-etching significantly increased the bond strength (P>0.0001) The bond strength was not significantly affected by the type of mechanical surface preparation, storage conditions, thermocycling, etching times or acid concentrations. Bonding, particularly chemical bonding, suggests a greater potential for better wetting and therefore better sealing of a cavity. Since microleakage of restorations is one of the principal causes of restoration failure, materials that can bond may in turn posses enhanced resistance to microleakage and ultimately, resistance to restoration failure. The gallium-indium alloy evaluated in this study may be such an alloy.
On the nature of the {SO2-4}/{Ag(111) } and {SO2-4}/{Au(111) } surface bonding
NASA Astrophysics Data System (ADS)
Patrito, E. M.; Olivera, P. Paredes; Sellers, Harrell
1997-05-01
The nature of sulfate-Ag(111) and sulfate-Au(111) surface bonding has been investigated at the SCF + MP2 level of theory. Convergence of binding energy with cluster size is investigated and, unlike neutral adsorbates, large clusters are required in order to obtain reliable binding energies. In the most stable adsorption mode, sulfate binds to the surface via three oxygen atoms (C 3v symmetry) with a binding energy of 159.3 kcal/mol on Ag(111) and 143.9 kcal/mol on Au(111). The geometry of adsorbed sulfate was optimized at the SCF level. While the bond length between sulfur and the oxygens coordinated to the surface increases, the sulfur-uncoordinated oxygen bond length decreases. This weakening and strengthening of the bonds, respectively, is consistent with bond order conservation in adsorbates on metal surfaces. Although a charge transfer of 0.4 electrons towards the metal is observed, the adsorbate remains very much sulfate-like. The molecular orbital analysis indicates that there is also some charge back-donation towards unoccupied orbitals of sulfate. This results in an increased electron density around sulfur as revealed in the electron density difference maps. Analysis of the Laplacian of the charge density of free sulfate provides a suitable framework to understand the nature of the different charge transfer processes and allows us to establish some similarities with the CO- and SO 2-metal bondings.
Measurements of the microwave spectrum, Re-H bond length, and Re quadrupole coupling for HRe(CO)5
NASA Astrophysics Data System (ADS)
Kukolich, Stephen G.; Sickafoose, Shane M.
1993-11-01
Rotational transition frequencies for rhenium pentacarbonyl hydride were measured in the 4-10 GHz range using a Flygare-Balle type microwave spectrometer. The rotational constants and Re nuclear quadrupole coupling constants for the four isotopomers, (1) H187Re(CO)5, (2) H185Re(CO)5, (3) D187Re(CO)5, and (4) D185Re(CO)5, were obtained from the spectra. For the most common isotopomer, B(1)=818.5464(2) MHz and eq Q(187Re)=-900.13(3) MHz. The Re-H bond length (r0) determined by fitting the rotational constants is 1.80(1) Å. Although the Re atom is located at a site of near-octahedral symmetry, the quadrupole coupling is large due to the large Re nuclear moments. A 2.7% increase in Re quadrupole coupling was observed for D-substituted isotopomers, giving a rather large isotope effect on the quadrupole coupling. The Cax-Re-Ceq angle is 96(1)°, when all Re-C-O angles are constrained to 180°.
Xinyu, Luo; Xiangfeng, Meng
2017-02-01
This research estimated shear bond durability of zirconia and different substrates cemented by two self-adhesive resin cements (Clearfil SA Luting and RelyX U100) before and after aging conditioning. Machined zirconia ceramic discs were cemented with four kinds of core material (cobalt-chromium alloy, flowable composite resin core material, packable composite resin, and dentin) with two self-adhesive resin cements (Clearfil SA Luting and RelyX U100). All specimens were divided into eight test groups, and each test group was divided into two subgroups. Each subgroup was subjected to shear test before and after 10 000 thermal cycles. All factors (core materials, cements, and thermal cycle) significantly influenced bond durability of zirconia ceramic (P<0.00 1). After 10 000 thermal cycles, significant decrease was not observed in shear bond strength of cobalt-chromium alloy luted with Clearfil SA Luting (P>0.05); observed shear bond strength was significantly higher than those of other substrates (P<0.05). Significantly higher shear bond strength was noted in Clearfil SA Luting luted with cobalt-chromium alloy, flowable composite resin core material, and packable composite resin than that of RelyX U100 (P<0.05). However, significant difference was not observed in shear bond strength of dentin luted with Clearfil SA Luting and RelyX U100 (P>0.05). Different core materials and self-adhesive resin cements can significantly affect bond durability of zirconia ceramic. .
Kapoor, Saumya; Balakrishnan, Dhanasekar
2017-01-01
Background For success of any indirect metal restoration, a strong bond between cement and the intaglio surface of metal is imperative. The aim of this study is to evaluate and compare the effect of different surface treatment on the tensile and shear bond strength of different cements with nickel–chromium alloy. Material and Methods 120 premolars were sectioned horizontally parallel to the occlusal surface to expose the dentin. Wax patterns were fabricated for individual tooth followed by casting them in nickel chromium alloy. 60 samples were tested for tensile bond strength, and the remaining 60 for shear bond strength. The samples were divided into three groups (of 20 samples each) as per the following surface treatment: oxidation only, oxidation and sandblasting, or oxidation, sandblasting followed by application of alloy primer. Each group was subdivided into 2 subgroups of 10 samples each, according to the bonding cement i.e RM-GIC and resin cement. Samples were subjected to thermocycling procedure followed by evaluation of bond strength. Results Two-way analyses of variance (ANOVA) was performed to compare the means of tensile and shear bond strength across type of surface treatment and cement, followed by post hoc parametric analysis. For all tests ‘p’ value of less than 0.05 was considered statistically significant. Conclusions The surface treatment of oxidation and sandblasting followed by application of alloy primer offered the maximum tensile and shear bond strength for both RM GIC and resin cement. Resin cement exhibited greater tensile and shear bond strength than RM-GIC for all the three surface treatment methods. Key words:Resin cement, resin modified glass ionomer cement, oxidation, sandblasting, alloy primer, tensile bond strength, shear bond strength, universal testing machine. PMID:28828160
Evaluation of microtensile bond strength of different fissure sealants to bovine enamel.
Sen Tunc, E; Bayrak, S; Tuloglu, N; Ertas, E
2012-03-01
The aim of this study was to evaluate the microtensile bond strength (μTBS) of a new fissure sealant and compare it with conventional sealants which are applied to enamel alone, and also with self-etch and etch-and-rinse adhesives. Enamel specimens were prepared and randomly distributed into three groups according to fissure sealant (Aegis, Helioseal F, Helioseal Clear). Each group was then subdivided according to adhesive system (Clearfil S3, Single Bond, no adhesive). A universal testing machine was used to measure μTBS, and data were analysed using one-way ANOVA and Tukey's tests. μTBS values for all Aegis subgroups were significantly lower than for comparable Helioseal F and Helioseal Clear subgroups (p < 0.05). No differences were observed in μTBS of Helioseal F and Helioseal Clear (p > 0.05). In the Helioseal Clear group, μTBS values for Single Bond were significantly higher than for Clearfil S3 (p < 0.05). However, no significant differences were found between the μTBS values of the adhesive subgroups in the Aegis or Helioseal F groups (p > 0.05). Sealant μTBS values may be affected by material content. The addition of an adhesive may improve μTBS values of sealant to enamel. © 2012 Australian Dental Association.
Al Jabbari, Youssef S; Al Taweel, Sara M; Al Rifaiy, Mohammed; Alqahtani, Mohammed Q; Koutsoukis, Theodoros; Zinelis, Spiros
2014-07-01
To evaluate the combined effects of material type, surface treatment, and thermocycling on the bond strength of orthodontic brackets to materials used for the fabrication of provisional crowns. Four materials were included in this study (ProTemp, Trim Plus, Trim II, and Superpont C+B). Sixty cylindrical specimens (1 × 3 cm) were prepared from each material and equally divided into three groups. The first group was ground with silica carbide paper, the second was polished with pumice, and the last group was sandblasted with 50-µm aluminum oxide particles. Stainless-steel maxillary central incisor brackets (Victory Series, 3M) were bonded to the provisional material specimens with Transbond XT light-cured composite resin, and half of the specimens from each group were thermocycled 500 times in 5°C and 55°C water baths. Then the brackets were debonded with shear testing, and the results were statistically analyzed by three-way analysis of variance and Tukey's multiple-comparison tests at α = 0.05. Adhesive Remnant Index (ARI) was also identified. Before and after thermocycling, ProTemp materials showed the highest shear bond strength with orthodontic brackets (10.3 and 13.1 MPa, respectively). The statistical analysis indicated an interaction among the three independent variables (P < .05) and statistically significant differences in bond strength among provisional materials (P < .001), surface treatments (P < .001), and thermocycling (P < .05). According to the ARI, most groups demonstrated adhesive failure. The provisional material type, surface treatment, and artificial aging have a significant effect on bond strength. Sandblasting treatment exerts a beneficial effect on shear bond strength.
Turk, Tamer; Elekdag-Turk, Selma; Isci, Devrim
2007-01-01
To evaluate the effect of a self-etching primer on shear bond strengths (SBS) at the different debond times of 5, 15, 30, and 60 minutes and 24 hours. Brackets were bonded to human premolars with different etching protocols. In the control group (conventional method [CM]) teeth were etched with 37% phosphoric acid. In the study group, a self-etching primer (SEP; Transbond Plus Self Etching Primer; 3M Unitek, Monrovia, Calif) was applied as recommended by the manufacturer. Brackets were bonded with light-cure adhesive paste (Transbond XT; 3M Unitek) and light-cured for 20 seconds in both groups. The shear bond test was performed at the different debond times of 5, 15, 30 and 60 minutes and 24 hours. Lowest SBS was attained with a debond time of 5 minutes for the CM group (9.51 MPa) and the SEP group (8.97 MPa). Highest SBS was obtained with a debond time of 24 hours for the CM group (16.82 MPa) and the SEP group (19.11 MPa). Statistically significant differences between the two groups were not observed for debond times of 5, 15, 30, or 60 minutes. However, the SBS values obtained at 24 hours were significantly different (P < .001). Adequate SBS was obtained with self-etching primer during the first 60 minutes (5, 15, 30 and 60 minutes) when compared with the conventional method. It is reliable to load the bracket 5 minutes after bonding using self-etching primer (Transbond Plus) with the light-cure adhesive (Transbond XT).
Mortazavi, Vajihesadat; Fathi, Mohammadhosein; Ataei, Ebrahim; Khodaeian, Niloufar; Askari, Navid
2012-01-01
In this laboratory study shear bond strengths of three filled and one unfilled adhesive systems to enamel and dentine were compared. Forty-eight extracted intact noncarious human mandibular molars were randomly assigned to two groups of 24 one for bonding to enamel and the other for bonding to dentine. Buccal and lingual surfaces of each tooth were randomly assigned for application of each one of filled (Prime & Bond NT (PBNT), Optibond Solo Plus (OBSP), and Clearfil SE Bond (CSEB)) and unfilled (Single Bond (SB)) adhesive systems (n = 12). A universal resin composite was placed into the translucent plastic cylinders (3 mm in diameter and 2 mm in length) and seated against the enamel and dentine surfaces and polymerized for 40 seconds. Shear bond strength was determined using a universal testing machine, and the results were statistically analyzed using two-way ANOVA, one-way ANOVA, t-test, and Tukey HSD post hoc test with a 5% level of significance.There were no statistically significant differences in bond strength between the adhesive systems in enamel, but CSEB and SB exhibited significantly higher and lower bond strength to dentine, respectively, than the other tested adhesive systems while there were no statistically significant differences between PBNT and OBSP. PMID:23209471
Tensile bond strength of an aged resin composite repaired with different protocols.
Celik, Esra Uzer; Ergücü, Zeynep; Türkün, L Sebnem; Ercan, Utku Kürșat
2011-08-01
To evaluate the effect of different surface treatments and bonding procedures on the tensile bond strength (TBS) of resin composites repaired 6 months after polymerization. Resin composite sticks were aged in distilled water at 37°C for 6 months. They were divided into 12 groups (n = 10) according to the combination of surface treatment/bonding procedures [none, only bur treatment, XP Bond (XPB/Dentsply/DeTrey) with/without bur, AdheSE (A-SE/Ivoclar/Vivadent) with/without bur, Composite Primer (CP/GC) with/without bur, CP after bur and acid-etching, XPB after acid etching and CP with bur, A-SE after bur and CP]. The ultimate tensile bond strength (UTS) of the resin composites was tested in intact but aged specimens. Tensile bond strengths were tested with a universal testing machine (Shimadzu). Data were analyzed using one-way ANOVA and Duncan Multiple Comparisons tests (p < 0.05). All repaired groups showed significantly higher TBS than the group without any sureface treatment (p < 0.05). Four groups resulted in TBS similar to those of intact resin composite UTS: A-SE, A-SE with bur, A-SE after CP with bur, and XPB after acid etching+CP with bur. Bur treatment, silane primer or etch-and-rinse adhesive application alone were not successful in the repair process of aged resin composite, whereas self-etching adhesive alone showed similar performance to the intact specimens. Combined procedures generally showed better performance: A-SE with bur, A-SE after CP with bur, and XPB after acid etching +CP with bur showed TBS similar to those of the intact specimens. It was concluded that bur roughening of the surfaces and rebonding procedures were essential for repairing aged resin composites.
Papasozomenou, Panayiota; Athanasiadis, Apostolos P; Zafrakas, Menelaos; Panteris, Eleftherios; Loufopoulos, Aristoteles; Assimakopoulos, Efstratios; Tarlatzis, Basil C
2016-03-01
To compare normal ranges of ultrasonographically measured fetal nasal bone length in the second trimester between different ethnic groups. A prospective, non-interventional study in order to establish normal ranges of fetal nasal bone length in the second trimester in a Greek population was conducted in 1220 singleton fetuses between 18 completed weeks and 23 weeks and 6 days of gestation. A literature search followed in order to identify similar studies in different population groups. Fetal nasal bone length mean values and percentiles from different population groups were compared. Analysis of measurements in the Greek population showed a linear association, i.e., increasing nasal bone length with increasing gestational age from 5.73 mm at 18 weeks to 7.63 mm at 23 weeks. Eleven studies establishing normal ranges of fetal nasal bone length in the second trimester were identified. Comparison of fetal nasal bone length mean values between the 12 population groups showed statistically significant differences (P<0.0001). Normal ranges of fetal nasal bone length in the second trimester vary significantly between different ethnic groups. Hence, distinct ethnic nomograms of fetal nasal bone length in the second trimester should be used in a given population rather than an international model.
Takamizawa, Toshiki; Barkmeier, Wayne W; Tsujimoto, Akimasa; Berry, Thomas P; Watanabe, Hedehiko; Erickson, Robert L; Latta, Mark A; Miyazaki, Masashi
2016-02-01
The purpose of this study was to determine the dentin bonding ability of three new universal adhesive systems under different etching modes using fatigue testing. Prime & Bond elect [PE] (DENTSPLY Caulk), Scotchbond Universal [SU] (3M ESPE), and All Bond Universal [AU] (Bisco) were used in this study. A conventional single-step self-etch adhesive, Clearfil Bond SE ONE [CS] (Kuraray Noritake Dental) was also included as a control. Shear bond strengths (SBS) and shear fatigue strength (SFS) to human dentin were obtained in the total-etch mode and self-etch modes. For each test condition, 15 specimens were prepared for the SBS and 30 specimens for SFS. SEM was used to examine representative de-bonded specimens, treated dentin surfaces and the resin/dentin interface for each test condition. Among the universal adhesives, PE in total-etch mode showed significantly higher SBS and SFS values than in self-etch mode. SU and AU did not show any significant difference in SBS and SFS between the total-etch mode and self-etch mode. However, the single-step self-etch adhesive CS showed significantly lower SBS and SFS values in the etch-and-rinse mode when compared to the self-etch mode. Examining the ratio of SFS/SBS, for PE and AU, the etch-and-rinse mode groups showed higher ratios than the self-etch mode groups. The influence of different etching modes on dentin bond quality of universal adhesives was dependent on the adhesive material. However, for the universal adhesives, using the total-etch mode did not have a negative impact on dentin bond quality. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
Hydrogen bonded C-H···Y (Y = O, S, Hal) molecular complexes: A natural bond orbital analysis
NASA Astrophysics Data System (ADS)
Isaev, A. N.
2016-03-01
Hydrogen bonded C-H···Y complexes formed by H2O, H2S molecules, hydrogen halides, and halogen-ions with methane, halogen substituted methane as well as with the C2H2 and NCH molecules were studied at the MP2/aug-cc-pVDZ level. The structure of NBOs corresponding to lone pair of acceptor Y, n Y, and vacant anti-σ-bond C-H of proton donor was analyzed and estimates of second order perturbation energy E(2) characterizing donor-acceptor n Y → σ C-H * charge-transfer interaction were obtained. Computational results for complexes of methane and its halogen substituted derivatives show that for each set of analogous structures, the EnY→σ*C-H (2) energy tends to grow with an increase in the s-component percentage in the lone pair NBO of acceptor Y. Calculations for different C···Y distances show that the equilibrium geometries of complexes lie in the region where the E(2) energy is highest and it changes symbatically with the length of the covalent E-H bond when the R(C···Y) distance is varied. The performed analysis allows us to divide the hydrogen bonded complexes into two groups, depending on the pattern of overlapping for NBOs of the hydrogen bridge.
Adhesive-bonded scarf and stepped-lap joints
NASA Technical Reports Server (NTRS)
Hart-Smith, L. J.
1973-01-01
Continuum mechanics solutions are derived for the static load-carrying capacity of scarf and stepped-lap adhesive-bonded joints. The analyses account for adhesive plasticity and adherend stiffness imbalance and thermal mismatch. The scarf joint solutions include a simple algebraic formula which serves as a close lower bound, within a small fraction of a per cent of the true answer for most practical geometries and materials. Digital computer programs were developed and, for the stepped-lap joints, the critical adherend and adhesive stresses are computed for each step. The scarf joint solutions exhibit grossly different behavior from that for double-lap joints for long overlaps inasmuch as that the potential bond shear strength continues to increase with indefinitely long overlaps on the scarf joints. The stepped-lap joint solutions exhibit some characteristics of both the scarf and double-lap joints. The stepped-lap computer program handles arbitrary (different) step lengths and thickness and the solutions obtained have clarified potentially weak design details and the remedies. The program has been used effectively to optimize the joint proportions.
Çokakoğlu, Serpil; Nalçacı, Ruhi; Üşümez, Serdar; Malkoç, Sıddık
2016-04-01
The purpose of this study was to investigate the demineralization around brackets and shear bond strength (SBS) of brackets bonded to Er:YAG laser-irradiated enamel at different power settings with various adhesive systems combinations. A total of 108 premolar teeth were used in this study. Teeth were assigned into three groups according to the etching procedure, then each group divided into three subgroups based on the application of different adhesive systems. There were a total of nine groups as follows. Group 1: Acid + Transbond XT Primer; group 2: Er:YAG (100 mJ, 10 Hz) etching + Transbond XT Primer; group 3: Er:YAG (200 mJ, 10 Hz) etching + Transbond XT Primer; group 4: Transbond Plus self-etching primer (SEP); group 5: Er:YAG (100 mJ, 10 Hz) etching + Transbond Plus SEP; group 6: Er:YAG (200 mJ, 10 Hz) etching + Transbond Plus SEP; group 7: Clearfil Protect Bond; group 8: Er:YAG (100 mJ, 10 Hz) etching + Clearfil Protect Bond; group 9: Er:YAG (200 mJ, 10 Hz) etching + Clearfil Protect Bond. Brackets were bonded with Transbond XT Adhesive Paste in all groups. Teeth to be evaluated for demineralization and SBS were exposed to pH and thermal cyclings, respectively. Then, demineralization samples were scanned with micro-CT to determine lesion depth values. For SBS test, a universal testing machine was used and adhesive remnant was index scored after debonding. Data were analyzed statistically. No significant differences were found among the lesion depth values of the various groups, except for G7 and G8, in which the lowest values were recorded. The lowest SBS values were in G7, whereas the highest were in G9. The differences between the other groups were not significant. Er:YAG laser did not have a positive effect on prevention of enamel demineralization. When two step self-etch adhesive is preferred for bonding brackets, laser etching at 1 W (100 mJ, 10 Hz) is suggested to improve SBS of brackets.
Dietary intakes among South Asian adults differ by length of residence in the USA
Talegawkar, Sameera A.; Kandula, Namratha R.; Gadgil, Meghana D.; Desai, Dipika; Kanaya, Alka M.
2015-01-01
Objective To examine whether nutrient and food intakes among South Asian adult immigrants differ by length of residence in the USA. Design Cross-sectional analysis to examine differences in nutrient and food intakes by length of residence in the USA. Dietary data were collected using an interviewer-administered, culturally appropriate FFQ, while self-reported length of residence was assessed using a questionnaire and modelled as tertiles. Setting The Mediators of Atherosclerosis in South Asians Living in America (MASALA) study. Subjects Eight hundred and seventy-four South Asians (mean age = 55 (SD 9) years; 47 % women; range of length of residence in the USA = 2–58 years), part of the baseline examination of the MASALA study. Results Intakes of fat, including saturated and trans fats, dietary cholesterol and n-6 fatty acids, were directly associated with length of residence, while intakes of energy, carbohydrate, glycaemic index and load, protein, dietary fibre, folate and K were inversely associated with length of residence (P trend <0·05). A longer length of residence in the USA was also associated with higher intakes of alcoholic beverages, mixed dishes including pizza and pasta, fats and oils, and lower intakes of beans and lentils, breads, grains and flour products, milk and dairy products, rice, starchy vegetables and sugar, candy and jam (P for differences across groups < 0·05). Conclusions Length of residence in the USA influences diet and nutrient intakes among South Asian adult immigrants and should be considered when investigating and planning dietary interventions to mitigate chronic disease risk. PMID:25990446
Dietary intakes among South Asian adults differ by length of residence in the USA.
Talegawkar, Sameera A; Kandula, Namratha R; Gadgil, Meghana D; Desai, Dipika; Kanaya, Alka M
2016-02-01
To examine whether nutrient and food intakes among South Asian adult immigrants differ by length of residence in the USA. Cross-sectional analysis to examine differences in nutrient and food intakes by length of residence in the USA. Dietary data were collected using an interviewer-administered, culturally appropriate FFQ, while self-reported length of residence was assessed using a questionnaire and modelled as tertiles. The Mediators of Atherosclerosis in South Asians Living in America (MASALA) study. Eight hundred and seventy-four South Asians (mean age=55 (sd 9) years; 47 % women; range of length of residence in the USA=2-58 years), part of the baseline examination of the MASALA study. Intakes of fat, including saturated and trans fats, dietary cholesterol and n-6 fatty acids, were directly associated with length of residence, while intakes of energy, carbohydrate, glycaemic index and load, protein, dietary fibre, folate and K were inversely associated with length of residence (P trend <0·05). A longer length of residence in the USA was also associated with higher intakes of alcoholic beverages, mixed dishes including pizza and pasta, fats and oils, and lower intakes of beans and lentils, breads, grains and flour products, milk and dairy products, rice, starchy vegetables and sugar, candy and jam (P for differences across groups <0·05). Length of residence in the USA influences diet and nutrient intakes among South Asian adult immigrants and should be considered when investigating and planning dietary interventions to mitigate chronic disease risk.
Effects of silicon coating on bond strength of two different titanium ceramic to titanium.
Ozcan, Isil; Uysal, Hakan
2005-08-01
This study investigated the effect of silicon coating (SiO2) by magnetron sputtering on bond strength of two different titanium ceramics to titanium. Sixty cast titanium specimens were prepared following the protocol ISO 9693. Titanium specimens were divided into two test and control groups with 15 specimens in each. Test groups were silicon coated by the magnetron sputtering technique. Two titanium ceramics (Triceram and Duceratin) were applied on both test (coated) and control (uncoated) metal specimens. The titanium-ceramic specimens were subjected to a three point flexural test. The groups were compared for their bond strength. SEM and SEM/EDS analyses were performed on the delaminated titanium surfaces to ascertain bond failure. The mean bond strength of Ti-Duceratin, Ti-Triceram, Si-coated Ti-Duceratin and Si-coated Ti-Triceram were 17.22+/-2.43, 23.31+/-3.18, 23.21+/-3.81 and 24.91+/-3.70 MPa, respectively. While the improvement in bond strength was 30% for Duceratin, it was statistically insignificant for Triceram. An adhesive mode of failure was observed in the Duceratin control group. In the silicoated Duceratin specimen, the bonded ceramic boundaries were wider but less than in the silicoated Triceram specimen. In the coated Triceram specimen, the ceramic retained areas were frequent and the failure mode was generally cohesive. Silicon coating was significantly effective in both preventing titanium oxide layer formation and in improving bond strength for Duceratin. However, it was of less value for Triceram.
Lesellier, E
2012-03-09
The chromatographic efficiency, in terms of plate number per second, was dramatically improved by the introduction of sub-two microns particles with ultra-high pressure liquid chromatography (UHPLC). On the other hand, the recent development of superficially porous particles, called core-shell or fused-core particles, appears to allow the achievement of the same efficiency performances at higher speed without high pressure drops. CO₂-based mobile phases exhibiting much lower viscosities than aqueous based mobile phases allow better theoretical efficiencies, even with 3-5 μm particles, but with relative low pressure drops. They also allow much higher flow rates or much longer columns while using conventional instruments capable to operate below 400 bar. Moreover, the use of superficially porous particles in SFC could enhance the chromatographic performances even more. The kinetic behavior of ODS phases bonded on these particles was studied, with varied flow rates, outlet (and obviously inlet) pressures, temperatures, by using a homologous series (alkylbenzenes) with 10% modifier (methanol or acetonitrile) in the carbon dioxide mobile phase. Results were also compared with classical fully porous particles, having different sizes, from 2.5 to 5 μm. Superior efficiency (N) and reduced h were obtained with these new ODS-bonded particles in regards to classical ones, showing their great interest for use in SFC. However, surprising behavior were noticed, i.e. the increase of the theoretical plate number vs. the increase of the chain length of the compounds. This behavior, opposite to the one classically reported vs. the retention factor, was not depending on the outlet pressure, but on the flow rate and the temperature changes. The lower radial trans-column diffusion on this particle types could explain these results. This diffusion reduction with these ODS-bonded superficially porous particles seems to decrease with the increase of the residence time of compounds
da Silva, Melissa Aline; Di Nicolo, Rebeca; Barcellos, Daphne Camara; Batista, Graziela Ribeiro; Pucci, Cesar Rogerio; Rocha Gomes Torres, Carlos; Borges, Alessandra Bühler
2013-01-01
The aim of this study was to compare the microtensile bond strength of three adhesive systems, using different methods of dentin preparation. A hundred and eight bovine teeth were used. The dentin from buccal face was exposed and prepared with three different methods, divided in 3 groups: Group 1 (DT)- diamond tip on a high-speed handpiece; Group 2 (CVD)-CVD tip on a ultrasonic handpiece; Group 3 (LA)-Er: YAG laser. The teeth were divided into 3 subgroups, according adhesive systems used: Subgroup 1-Adper Single Bond Plus/3M ESPE (SB) total-etch adhesive; Subgroup 2-Adper Scotchbond SE/3M ESPE (AS) selfetching adhesive; Subgroup 3-Clearfil SE Bond/Kuraray (CS) selfetching adhesive. Blocks of composite (Filtek Z250-3M ESPE) 4 mm high were built up and specimens were stored in deionized water for 24 hours at 37°C. Serial mesiodistal and buccolingual cuts were made and stick-like specimens were obtained, with transversal section of 1.0 mm(2). The samples were submitted to microtensile test at 1 mm/min and load of 10 kg in a universal testing machine. Data (MPa) were subjected to ANOVA and Tukey's tests (p < 0.05). Surface treatment with Diamond or CVD tips associated with Clearfil SE Bond adhesive produced significantly lower bond strength values compared to other groups. Surface treatment with Er: YAG laser associated with Single Bond Plus or Clearfil SE Bond adhesives and surface treatment with CVD tip associated with Adper Scotchbond SE adhesive produced significantly lower bond strength values compared to surface treatment with diamond or CVD tips associated with Single Bond Plus or Adper Scotchbond SE adhesives. Interactions between laser and the CVD tip technologies and the different adhesive systems can produce a satisfactory bonding strength result, so that these associations may be beneficial and enhance the clinical outcomes.
Patel, Sarthak K; Lavasanifar, Afsaneh; Choi, Phillip
2010-03-01
Molecular dynamics simulation was used to study the potential of using a block copolymer containing three poly(epsilon-caprolactone) (PCL) blocks of equal length connected to one end of a poly(ethylene oxide) (PEO) block, designated as PEO-b-3PCL, to encapsulate two classes of hydrophobic drugs with distinctively different molecular structures. In particular, the first class of drugs consisted of two cucurbitacin drugs (CuB and CuI) that contain multiple hydrogen bond donors and acceptors evenly distributed on their molecules while the other class of drugs (fenofibrate and nimodipine) contain essentially only clustered hydrogen bond acceptors. In the case of cucurbitacin drugs, the results showed that PEO-b-3PCL lowered the Flory-Huggins interaction parameters (chi) considerably (i.e., increased the drug solubility) compared to the linear di-block copolymer PEO-b-PCL with the same PCL/PEO (w/w) ratio of 1.0. However, the opposite effect was observed for fenofibrate and nimodipine. Analysis of the intermolecular interactions indicates that the number of hydrogen bonds formed between the three PCL blocks and cucurbitacin drugs is significantly higher than that of the linear di-block copolymer. On the other hand, owing to the absence of hydrogen bond donors and the clustering of the hydrogen bond acceptors on the fenofibrate and nimodipine molecules, this significantly reduces the number of hydrogen bonds formed in the multi-PCL block environment, leading to unfavourable chi values. The findings of the present work suggest that multi-hydrophobic block architecture could potentially increase the drug loading for hydrophobic drugs with structures containing evenly distributed multiple hydrogen bond donors and acceptors. (c) 2009 Elsevier Ltd. All rights reserved.
Lai, Jian-Ping; Lai, Saien; Tuluc, Florin; Tansky, Morris F.; Kilpatrick, Laurie E.; Leeman, Susan E.; Douglas, Steven D.
2008-01-01
The neurokinin-1 receptor (NK1R) has two naturally occurring forms that differ in the length of the carboxyl terminus: a full-length receptor consisting of 407 aa and a truncated receptor consisting of 311 aa. We examined whether there are differential signaling properties attributable to the carboxyl terminus of this receptor by using stably transfected human embryonic kidney (HEK293) cell lines that express either full-length or truncated NK1R. Substance P (SP) specifically triggered intracellular calcium increase in HEK293 cells expressing full-length NK1R but had no effect in the cells expressing the truncated NK1R. In addition, in cells expressing full-length NK1R, SP activated NF-κB and IL-8 mRNA expression, but in cells expressing the truncated NK1R, SP did not activate NF-κB, and it decreased IL-8 mRNA expression. In cells expressing full-length NK1R, SP stimulated phosphorylation of PKCδ but inhibited phosphorylation of PKCδ in cells expressing truncated NK1R. There are also differences in the timing of SP-induced ERK activation in cells expressing the two different forms of the receptor. Full-length NK1R activation of ERK was rapid (peak within 1–2 min), whereas truncated NK1R-mediated activation was slower (peak at 20–30 min). Thus, the carboxyl terminus of NK1R is the structural basis for differences in the functional properties of the full-length and truncated NK1R. These differences may provide important information toward the design of new NK1R receptor antagonists. PMID:18713853
Bond-strength inversion in (In,Ga)As semiconductor alloys
NASA Astrophysics Data System (ADS)
Eckner, Stefanie; Ritter, Konrad; Schöppe, Philipp; Haubold, Erik; Eckner, Erich; Rensberg, Jura; Röder, Robert; Ridgway, Mark C.; Schnohr, Claudia S.
2018-05-01
The atomic-scale structure and vibrational properties of semiconductor alloys are determined by the energy required for stretching and bending the individual bonds. Using temperature-dependent extended x-ray absorption fine-structure spectroscopy, we have determined the element-specific In-As and Ga-As effective bond-stretching force constants in (In,Ga)As as a function of the alloy composition. The results reveal a striking inversion of the bond strength where the originally stiffer bond in the parent materials becomes the softer bond in the alloy and vice versa. Our findings clearly demonstrate that changes of both the individual bond length and the surrounding matrix affect the bond-stretching force constants. We thus show that the previously used common assumptions about the element-specific force constants in semiconductor alloys do not reproduce the composition dependence determined experimentally for (In,Ga)As.
Ozmen, Bilal; Koyuturk, Alp Erdin; Tokay, Ugur; Cortcu, Murat; Sari, Mustafa Erhan
2015-10-16
The purpose of this in vitro study was to evaluate the dentin shear bond strength of 4 self-etching adhesives having a different pH on primary and permanent teeth dentin. The occlusal enamel was removed from 60 freshly extracted third molar and 60 primary second molar human teeth, which were randomly separated into 4 groups (n = 15). Four adhesive systems were applied: G-Bond (GC Corporation, Tokyo, Japan, pH: 1.5), Futura Bond M (Voco, Cuxhaver, Germany, pH: 1.4), Adper Prompt L-Pop (3M/ESPE, St Paul, MN, USA, pH: 0.8), and Clearfil S(3) Bond (Kuraray Medical, Tokyo, Japan, pH: 2.7) according to the manufacturer's instructions. After the application of dentin bonding agents, a composite resin material (Z250 Restorative A2, 3M ESPE, St. Paul, MN, USA) for permanent teeth and a compomer resin material (Dyract Extra A2, Dentsply, Konstanz, Germany) for primary teeth was applied onto the prepared dentin surfaces. The data were obtained by using a universal test machine at a crosshead speed of 1 mm/min. The mean values were compared using Tukey's multiple comparison test. Although there was no difference between adhesives on the permanent teeth, Clearfil S3 adhesive showed higher bond (18.07 ± 0.58 MPa) (P>0.05). Lower bond strength values were obtained from primary teeth and especially G-Bond adhesive (9.36 ± 0.48 MPa) (P<0.05). Self-etching adhesives with different pH and solvent types can be used successfully for permanent teeth dentin but adhesives with low pH did not provide greater shear bond strength values.
DOT National Transportation Integrated Search
2014-12-01
In reinforced concrete systems, ensuring that a good bond between the : concrete and the embedded reinforcing steel is critical to long-term structural : performance. Without good bond between the two, the system simply cannot : behave as intended. :...
Bond–Slip Relationship for CFRP Sheets Externally Bonded to Concrete under Cyclic Loading
Li, Ke; Cao, Shuangyin; Yang, Yue; Zhu, Juntao
2018-01-01
The objective of this paper was to explore the bond–slip relationship between carbon fiber-reinforced polymer (CFRP) sheets and concrete under cyclic loading through experimental and analytical approaches. Modified beam tests were performed in order to gain insight into the bond–slip relationship under static and cyclic loading. The test variables are the CFRP-to-concrete width ratio, and the bond length of the CFRP sheets. An analysis of the test results in this paper and existing test results indicated that the slope of the ascending segment of the bond–slip curve decreased with an increase in the number of load cycles, but the slip corresponding to the maximum shear stress was almost invariable as the number of load cycles increased. In addition, the rate of reduction in the slope of the ascending range of the bond–slip curve during cyclic loading decreased as the concrete strength increased, and increased as the load level or CFRP-to-concrete width ratio enhanced. However, these were not affected by variations in bond length if the residual bond length was longer than the effective bond length. A bilinear bond–slip model for CFRP sheets that are externally bonded to concrete under cyclic loading, which considered the effects of the cyclic load level, concrete strength, and CFRP-to-concrete ratio, was developed based on the existing static bond–slip model. The accuracy of this proposed model was verified by a comparison between this proposed model and test results. PMID:29495383
Using Excel To Study The Relation Between Protein Dihedral Angle Omega And Backbone Length
NASA Astrophysics Data System (ADS)
Shew, Christopher; Evans, Samari; Tao, Xiuping
How to involve the uninitiated undergraduate students in computational biophysics research? We made use of Microsoft Excel to carry out calculations of bond lengths, bond angles and dihedral angles of proteins. Specifically, we studied protein backbone dihedral angle omega by examining how its distribution varies with the length of the backbone length. It turns out Excel is a respectable tool for this task. An ordinary current-day desktop or laptop can handle the calculations for midsized proteins in just seconds. Care has to be taken to enter the formulas for the spreadsheet column after column to minimize the computing load. Supported in part by NSF Grant #1238795.
Bond strength of self-etch adhesives after saliva contamination at different application steps.
Cobanoglu, N; Unlu, N; Ozer, F F; Blatz, M B
2013-01-01
This study evaluated and compared the effect of saliva contamination and possible decontamination methods on bond strengths of two self-etching adhesive systems (Clearfil SE Bond [CSE], Optibond Solo Plus SE [OSE]). Flat occlusal dentin surfaces were created on 180 extracted human molar teeth. The two bonding systems and corresponding composite resins (Clearfil AP-X, Kerr Point 4) were bonded to the dentin under six surface conditions (n=15/group): group 1 (control): primer/bonding/composite; group 2: saliva/drying/primer/bonding/composite; group 3: primer/saliva/rinsing/drying/primer/bonding/composite; group 4: primer/saliva/rinsing/drying/bonding/composite; group 5: primer/bonding (cured)/saliva/rinsing/drying/primer/bonding/composite; group 6: primer/bonding (cured)/saliva/removing contaminated layer with a bur/rinsing/drying/primer/bonding/composite. Shear bond strength was tested after specimens were stored in distilled water at 37°C for 24 hours. One-way analysis of variance and Tukey post hoc tests were used for statistical analyses. For CSE, groups 2, 3, and 4 and for OSE, groups 6, 2, and 4 showed significantly lower bond strengths than the control group (p<0.05). CSE groups 5 and 6 and OSE groups 3 and 5 revealed bond strengths similar to the control. When saliva contamination occurred after light polymerization of the bonding agent, repeating the bonding procedure recovered the bonding capacity of both self-etch adhesives. However, saliva contamination before or after primer application negatively affected their bond strength.
The bonding of FeN2, FeCO, and Fe2N2 - Model systems for side-on bonding of CO and N2
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Pettersson, Lars G. M.; Siegbahn, Per E. M.
1987-01-01
Qualitative calculations are performed to elucidate the nature of the side-on interaction of both N2 and CO with a single Fe atom. The systems are found to be quite similar, with bonding leading to an increase in the CO or N2 bond length and a decrease in the vibrational frequency. The CO or N2 stretching modes lead to a large dipole derivative along the metal-ligand bond axis. The populations show an almost identical, large donation from the Fe 3d orbitals into the CO or N2 Pi-asterisk. The larger system Fe2N2 is then considered, with the N2 bridging the Fe2, both parallel and perpendicular to the Fe2 bond axis for two different Fe-Fe distances. For FeN2, the shift in the observed N2 frequency is smaller than observed for the alpha state of N2/Fe(111). The shift in the N2 vibrational frequency increases when the N2 interacts with two Fe atoms, either at the Fe-Fe nearest neighbor distance or at the first layer Fe-Fe distance, when the side-on N2 axis is oriented perpendicular to an Fe-Fe bond.
Chen, Xiang
2013-09-01
A benzamide molecule is used as a "reader" molecule to form hydrogen bonds with five single DNA bases, i.e., four normal single DNA bases A,T,C,G and one for 5methylC. The whole molecule is then attached to the gold surface so that a meta-molecule junction is formed. We calculate the transmission function and conductance for the five metal-molecule systems, with the implementation of density functional theory-based non-equilibrium Green function method. Our results show that each DNA base exhibits a unique conductance and most of them are on the pS level. The distinguishable conductance of each DNA base provides a way for the fast sequencing of DNA. We also investigate the dependence of conductivity of such a metal-molecule system on the hydrogen bond length between the "reader" molecule and DNA base, which shows that conductance follows an exponential decay as the hydrogen bond length increases, i.e., the conductivity is highly sensitive to the change in hydrogen bond length.
Krest, Courtney M.; Silakov, Alexey; Rittle, Jonathan; ...
2015-08-03
Cytochrome P450 (P450) and chloroperoxidase (CPO) are thiolate-ligated haem proteins that catalyse the activation of carbon hydrogen bonds. The principal intermediate in these reactions is a ferryl radical species called compound I. P450 compound I (P450-I) is significantly more reactive than CPO-I, which only cleaves activated C–H bonds. In this paper, to provide insight into the differing reactivities of these intermediates, we examined CPO-I and P450-I using variable-temperature Mössbauer and X-ray absorption spectroscopies. These measurements indicate that the Fe–S bond is significantly shorter in P450-I than in CPO-I. This difference in Fe–S bond lengths can be understood in terms ofmore » variations in the hydrogen-bonding patterns within the ‘cys-pocket’ (a portion of the proximal helix that encircles the thiolate ligand). Weaker hydrogen bonding in P450-I results in a shorter Fe–S bond, which enables greater electron donation from the axial thiolate ligand. Finally, this observation may in part explain P450's greater propensity for C–H bond activation.« less
Analysis of factors influencing the bond strength in roll bonding processes
NASA Astrophysics Data System (ADS)
Khaledi, Kavan; Wulfinghoff, Stephan; Reese, Stefanie
2018-05-01
Cold Roll Bonding (CRB) is recognized as an industrial technique in which the metal sheets are joined together in order to produce laminate metal composites. In this technique, a metallurgical bond resulting from severe plastic deformation is formed between the rolled metallic layers. The main objective of this paper is to analyse different factors which may affect the bond formation in rolling processes. To achieve this goal, first, an interface model is employed which describes both the bonding and debonding. In this model, the bond strength evolution between the metallic layers is calculated based on the film theory of bonding. On the other hand, the debonding process is modelled by means of a bilinear cohesive zone model. In the numerical section, different scenarios are taken into account to model the roll bonding process of metal sheets. The numerical simulation includes the modelling of joining during the roll bonding process followed by debonding in a Double Cantilever Beam (DCB) peeling test. In all simulations, the metallic layers are regarded as elastoplastic materials subjected to large plastic deformations. Finally, the effects of some important factors on the bond formation are numerically investigated.
Telomere length differences between subcutaneous and visceral adipose tissue in humans
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lakowa, Nicole; Trieu, Nhu; Flehmig, Gesine
Adipocyte hypertrophy and hyperplasia have been shown to be associated with shorter telomere length, which may reflect aging, altered cell proliferation and adipose tissue (AT) dysfunction. In individuals with obesity, differences in fat distribution and AT cellular composition may contribute to obesity related metabolic diseases. Here, we tested the hypotheses that telomere lengths (TL) are different between: (1) abdominal subcutaneous and omental fat depots, (2) superficial and deep abdominal subcutaneous AT (SAT), and (3) adipocytes and cells of the stromal vascular fraction (SVF). We further asked whether AT TL is related to age, anthropometric and metabolic traits. TL was analyzedmore » by quantitative PCR in total human genomic DNA isolated from paired subcutaneous and visceral AT of 47 lean and 50 obese individuals. In subgroups, we analyzed TL in isolated small and large adipocytes and SVF cells. We find significantly shorter TL in subcutaneous compared to visceral AT (P < 0.001) which is consistent in men and subgroups of lean and obese, and individuals with or without type 2 diabetes (T2D). Shorter TL in SAT is entirely due to shorter TL in the SVF compared to visceral AT (P < 0.01). SAT TL is most strongly correlated with age (r = −0.205, P < 0.05) and independently of age with HbA1c (r = −0.5, P < 0.05). We found significant TL differences between superficial SAT of lean and obese as well as between individuals with our without T2D, but not between the two layers of SAT. Our data indicate that fat depot differences in TL mainly reflect shorter TL of SVF cells. In addition, we found an age and BMI-independent relationship between shorter TL and HbA1c suggesting that chronic hyperglycemia may impair the regenerative capacity of AT more strongly than obesity alone. - Highlights: • Telomere lengths (TL) differ between fat depots mainly due to different lengths in SVF. • TL is not associated with gender, BMI and T2D. • The tendency
Nalçacı, Ruhi; Üşümez, Serdar; Malkoç, Sıddık
2016-01-01
Abstract Objective: The purpose of this study was to investigate the demineralization around brackets and shear bond strength (SBS) of brackets bonded to Er:YAG laser-irradiated enamel at different power settings with various adhesive systems combinations. Methods: A total of 108 premolar teeth were used in this study. Teeth were assigned into three groups according to the etching procedure, then each group divided into three subgroups based on the application of different adhesive systems. There were a total of nine groups as follows. Group 1: Acid + Transbond XT Primer; group 2: Er:YAG (100 mJ, 10 Hz) etching + Transbond XT Primer; group 3: Er:YAG (200 mJ, 10 Hz) etching + Transbond XT Primer; group 4: Transbond Plus self-etching primer (SEP); group 5: Er:YAG (100 mJ, 10 Hz) etching + Transbond Plus SEP; group 6: Er:YAG (200 mJ, 10 Hz) etching + Transbond Plus SEP; group 7: Clearfil Protect Bond; group 8: Er:YAG (100 mJ, 10 Hz) etching + Clearfil Protect Bond; group 9: Er:YAG (200 mJ, 10 Hz) etching + Clearfil Protect Bond. Brackets were bonded with Transbond XT Adhesive Paste in all groups. Teeth to be evaluated for demineralization and SBS were exposed to pH and thermal cyclings, respectively. Then, demineralization samples were scanned with micro-CT to determine lesion depth values. For SBS test, a universal testing machine was used and adhesive remnant was index scored after debonding. Data were analyzed statistically. Results: No significant differences were found among the lesion depth values of the various groups, except for G7 and G8, in which the lowest values were recorded. The lowest SBS values were in G7, whereas the highest were in G9. The differences between the other groups were not significant. Conclusions: Er:YAG laser did not have a positive effect on prevention of enamel demineralization. When two step self-etch adhesive is preferred for bonding brackets, laser etching at 1 W (100 mJ, 10 Hz) is
Real-space identification of intermolecular bonding with atomic force microscopy.
Zhang, Jun; Chen, Pengcheng; Yuan, Bingkai; Ji, Wei; Cheng, Zhihai; Qiu, Xiaohui
2013-11-01
We report a real-space visualization of the formation of hydrogen bonding in 8-hydroxyquinoline (8-hq) molecular assemblies on a Cu(111) substrate, using noncontact atomic force microscopy (NC-AFM). The atomically resolved molecular structures enable a precise determination of the characteristics of hydrogen bonding networks, including the bonding sites, orientations, and lengths. The observation of bond contrast was interpreted by ab initio density functional calculations, which indicated the electron density contribution from the hybridized electronic state of the hydrogen bond. Intermolecular coordination between the dehydrogenated 8-hq and Cu adatoms was also revealed by the submolecular resolution AFM characterization. The direct identification of local bonding configurations by NC-AFM would facilitate detailed investigations of intermolecular interactions in complex molecules with multiple active sites.
Electro-optical parameters of bond polarizability model for aluminosilicates.
Smirnov, Konstantin S; Bougeard, Daniel; Tandon, Poonam
2006-04-06
Electro-optical parameters (EOPs) of bond polarizability model (BPM) for aluminosilicate structures were derived from quantum-chemical DFT calculations of molecular models. The tensor of molecular polarizability and the derivatives of the tensor with respect to the bond length are well reproduced with the BPM, and the EOPs obtained are in a fair agreement with available experimental data. The parameters derived were found to be transferable to larger molecules. This finding suggests that the procedure used can be applied to systems with partially ionic chemical bonds. The transferability of the parameters to periodic systems was tested in molecular dynamics simulation of the polarized Raman spectra of alpha-quartz. It appeared that the molecular Si-O bond EOPs failed to reproduce the intensity of peaks in the spectra. This limitation is due to large values of the longitudinal components of the bond polarizability and its derivative found in the molecular calculations as compared to those obtained from periodic DFT calculations of crystalline silica polymorphs by Umari et al. (Phys. Rev. B 2001, 63, 094305). It is supposed that the electric field of the solid is responsible for the difference of the parameters. Nevertheless, the EOPs obtained can be used as an initial set of parameters for calculations of polarizability related characteristics of relevant systems in the framework of BPM.
Push-out bond strengths of different dental cements used to cement glass fiber posts.
Pereira, Jefferson Ricardo; Lins do Valle, Accácio; Ghizoni, Janaina Salomon; Lorenzoni, Fábio César; Ramos, Marcelo Barbosa; Barbosa, Marcelo Ramos; Dos Reis Só, Marcus Vinícius
2013-08-01
Since the introduction of glass fiber posts, irreversible vertical root fractures have become a rare occurrence; however, adhesive failure has become the primary failure mode. The purpose of this study was to evaluate the push-out bond strength of glass fiber posts cemented with different luting agents on 3 segments of the root. Eighty human maxillary canines with similar root lengths were randomly divided into 8 groups (n=10) according to the cement assessed (Rely X luting, Luting and Lining, Ketac Cem, Rely X ARC, Biscem, Duo-link, Rely X U100, and Variolink II). After standardized post space preparation, the root dentin was pretreated for dual-polymerizing resin cements and untreated for the other cements. The mixed luting cement paste was inserted into post spaces with a spiral file and applied to the post surface that was seated into the canal. After 7 days, the teeth were sectioned perpendicular to their long axis into 1-mm-thick sections. The push-out test was performed at a speed of 0.5 mm/min until extrusion of the post occurred. The results were evaluated by 2-way ANOVA and the all pairwise multiple comparison procedures (Tukey test) (α=.05). ANOVA showed that the type of interaction between cement and root location significantly influenced the push-out strength (P<.05). The highest push-out strength results with root location were obtained with Luting and Lining (S3) (19.5 ±4.9 MPa), Ketac Cem (S2) (18.6 ±5.5 MPa), and Luting and Lining (S1) (18.0 ±7.6 MPa). The lowest mean values were recorded with Variolink II (S1) (4.6 ±4.0 MPa), Variolink II (S2) (1.6 ±1.5 MPa), and Rely X ARC (S3) (0.9 ±1.1 MPa). Self-adhesive cements and glass ionomer cements showed significantly higher values compared to dual-polymerizing resin cements. In all root segments, dual-polymerizing resin cements provided significantly lower bond strength. Significant differences among root segments were found only for Duo-link cement. Copyright © 2013 The Editorial Council of
Akin, Hakan; Tugut, Faik; Mutaf, Burcu; Akin, Gulsah; Ozdemir, A Kemal
2011-11-01
Failure of the bond between the acrylic resin and resilient liner material is commonly encountered in clinical practice. The purpose of this study was to investigate the effect of different surface treatments (sandblasting, Er:YAG, Nd:YAG, and KTP lasers) on tensile bond strength of silicone-based soft denture liner. Polymethyl methacrylate test specimens were fabricated and each received one of eight surface treatments: untreated (control), sandblasted, Er:YAG laser irradiated, sandblasted + Er:YAG laser irradiated, Nd:YAG laser irradiated, sandblasted + Nd:YAG laser irradiated, KTP laser irradiated, and sandblasted + KTP laser irradiated. The resilient liner specimens (n = 15) were processed between two polymethyl methacrylate (PMMA) blocks. Bonding strength of the liners to PMMA were compared by tensile test with the use of a universal testing machine at a crosshead speed of 5 mm/min. Kruskal-Wallis and Wilcoxon tests were used to analyze the data (α = 0.05). Altering the polymethyl methacrylate surface by Er:YAG laser significantly increased the bond strengths in polymethyl methacrylate/silicone specimens, however, sandblasting before applying a lining material had a weakening effect on the bond. In addition, Nd:YAG and KTP lasers were found to be ineffective for increasing the strength of the bond.
Reis, Andre F; Giannini, Marcelo; Pereira, Patricia N R
2007-09-01
The aim of this study was to evaluate the ability of etch-and-rinse and self-etching adhesive systems to prevent time- and water-induced nanoleakage in resin-dentin interfaces over a 6-month storage period. Five commercial adhesives were tested, which comprise three different strategies of bonding resins to tooth hard tissues: one single-step self-etching adhesive (One-up Bond F (OB), Tokuyama); two two-step self-etching primers (Clearfil SE Bond (SE) and an antibacterial fluoride-containing system, Clearfil Protect Bond (CP), Kuraray Inc.); two two-step etch-and-rinse adhesives (Single Bond (SB), 3M ESPE and Prime&Bond NT (PB), Dentsply). Restored teeth were sectioned into 0.9 mm thick slabs and stored in water or mineral oil for 24 h, 3 or 6 months. A silver tracer solution was used to reveal nanometer-sized water-filled spaces and changes that occurred over time within resin-dentin interfaces. Characterization of interfaces was performed with the TEM. The two two-step self-etching primers showed little silver uptake during the 6-month experiment. Etch-and-rinse adhesives exhibited silver deposits predominantly within the hybrid layer (HL), which significantly increased for SB after water-storage. The one-step self-etching adhesive OB presented massive silver accumulation within the HL and water-trees protruding into the adhesive layer, which increased in size and quantity after water-storage. After storage in oil, reduced silver deposition was observed at the interfaces for all groups. Different levels of water-induced nanoleakage were observed for the different bonding strategies. The two-step self-etching primers, especially the antibacterial fluoride-containing system CP, showed the least nanoleakage after 6 months of storage in water.
Stawarczyk, Bogna; Teuss, Simona; Eichberger, Marlis; Roos, Malgorzata; Keul, Christine
2015-01-01
Computer aided design/computer aided manufacturing (CAD/CAM) polymers for long-term dental restorations benefit from enhanced mechanical properties. However, the quantification of their bonding properties on teeth is lacking. Therefore, the aim of this study was to determine the retention strength (RS) of differently pretreated new developed polymethylmethacrylate/urethanedimethacrylate-based CAD/CAM polymer bonded on dentin. In summary, 120 human caries-free molars were prepared, and polymeric crowns were milled and pretreated (n = 20): visio.link (VL), Scotchbond Universal (SU), Monobond Plus/Heliobond (MH), Margin Bond (MB), Margin Bond mixed with acetone (1:1) (MBA) or not pretreated (CG). Half of the specimens were cemented using Variolink II and the other half with RelyX Ultimate. Specimens were stored for 24 h in distilled water and thermal cycled (5000 ×, 5 °C/55 °C). The retention load was measured and failure types were defined. RS was calculated and analyzed using both two- and one-way ANOVA with a post-hoc Scheffé-test, unpaired t-test, Kaplan–Meier with Breslow–Gehan test and chi-squared test (p < 0.05). Crowns bonded using RelyX Ultimate showed higher RS than those bonded using Variolink II. The pretreatment showed no impact on the RS. However, survival analysis within Variolink II found an impact of pretreatment. The median RS for MH was the lowest and statistically different from MB, MBA and CG. For Variolink II MH had the poorest survival as the estimated cumulative failure function of the debonded crown increased very quickly with increasing TBS. Within the RelyX Ultimate groups, no significant differences were determined. The newly developed CAD/CAM polymer showed the highest bonding properties after cementation using RelyX Ultimate. PMID:28793651
Contribution of Hydrogen Bonds to Paper Strength Properties.
Przybysz, Piotr; Dubowik, Marcin; Kucner, Marta Anna; Przybysz, Kazimierz; Przybysz Buzała, Kamila
2016-01-01
The objective of this work was to investigate the influence of hydrogen bonds between fibres on static and dynamic strength properties of paper. A commercial bleached pinewood kraft pulp was soaked in water, refined in a PFI, and used to form paper webs in different solvents, such as water, methanol, ethanol, n-propanol and n-butanol, to determine the effect of their dipole moment on static and dynamic strength properties of resulting paper sheets. Paper which was formed in water, being the solvent of the highest dipole moment among the tested ones, showed the highest breaking length and tear resistance. When paper webs were formed in n-butanol, which was the least polar among the solvents, these parameters were reduced by around 75%. These results provide evidence of the importance of water in paper web formation and strong impact of hydrogen bonds between fibres on strength properties of paper.
Contribution of Hydrogen Bonds to Paper Strength Properties
Przybysz, Piotr; Dubowik, Marcin; Kucner, Marta Anna; Przybysz, Kazimierz; Przybysz Buzała, Kamila
2016-01-01
The objective of this work was to investigate the influence of hydrogen bonds between fibres on static and dynamic strength properties of paper. A commercial bleached pinewood kraft pulp was soaked in water, refined in a PFI, and used to form paper webs in different solvents, such as water, methanol, ethanol, n-propanol and n-butanol, to determine the effect of their dipole moment on static and dynamic strength properties of resulting paper sheets. Paper which was formed in water, being the solvent of the highest dipole moment among the tested ones, showed the highest breaking length and tear resistance. When paper webs were formed in n-butanol, which was the least polar among the solvents, these parameters were reduced by around 75%. These results provide evidence of the importance of water in paper web formation and strong impact of hydrogen bonds between fibres on strength properties of paper. PMID:27228172
Determination of the paraxial focal length using Zernike polynomials over different apertures
NASA Astrophysics Data System (ADS)
Binkele, Tobias; Hilbig, David; Henning, Thomas; Fleischmann, Friedrich
2017-02-01
The paraxial focal length is still the most important parameter in the design of a lens. As presented at the SPIE Optics + Photonics 2016, the measured focal length is a function of the aperture. The paraxial focal length can be found when the aperture approaches zero. In this work, we investigate the dependency of the Zernike polynomials on the aperture size with respect to 3D space. By this, conventional wavefront measurement systems that apply Zernike polynomial fitting (e.g. Shack-Hartmann-Sensor) can be used to determine the paraxial focal length, too. Since the Zernike polynomials are orthogonal over a unit circle, the aperture used in the measurement has to be normalized. By shrinking the aperture and keeping up with the normalization, the Zernike coefficients change. The relation between these changes and the paraxial focal length are investigated. The dependency of the focal length on the aperture size is derived analytically and evaluated by simulation and measurement of a strong focusing lens. The measurements are performed using experimental ray tracing and a Shack-Hartmann-Sensor. Using experimental ray tracing for the measurements, the aperture can be chosen easily. Regarding the measurements with the Shack-Hartmann- Sensor, the aperture size is fixed. Thus, the Zernike polynomials have to be adapted to use different aperture sizes by the proposed method. By doing this, the paraxial focal length can be determined from the measurements in both cases.
JONES, Christopher W.; GAMBALA, Cecilia; ESTEVES, Kyle C.; WALLACE, Maeve; SCHLESINGER, Reid; O’QUINN, Marguerite; KIDD, Laura; THEALL, Katherine P.; DRURY, Stacy S.
2017-01-01
BACKGROUND Health disparities begin early in life and persist across the life course. Despite current efforts Black women exhibit greater risk for pregnancy complications and negative perinatal outcomes compared to White women. The placenta, a complex multi-tissue organ, serves as the primary transducer of bidirectional information between the mother and fetus. Altered placental function is linked to multiple racially disparate pregnancy complications, however little is known about racial differences in molecular factors within the placenta. Several pregnancy complications, including preeclampsia and fetal growth restriction, exhibit racial disparities and are associated with shorter placental telomere length, an indicator of cellular stress and aging. Cellular senescence and telomere dynamics are linked to the molecular mechanisms associated with the onset of labor and parturition. Further, racial differences in telomere length are found in a range of different peripheral tissues. Together these factors suggest that exploration of racial differences in telomere length of the placenta may provide novel mechanistic insight into racial disparities in birth outcomes. OBJECTIVE This study examined whether telomere length measured in four distinct fetally-derived tissues were significantly different between Blacks and Whites. The study had two hypotheses: (1) that telomere length measured in different placental tissue types would be correlated and (2) that across all sampled tissues telomere length would differ by race. STUDY DESIGN In a prospective study, placental tissue samples were collected from the amnion, chorion, villus, and umbilical cord from Black and White singleton pregnancies (N=46). Telomere length was determined using monochrome multiplex quantitative real-time polymerase chain reaction in each placental tissue. Demographic and pregnancy-related data were also collected. Descriptive statistics characterized the sample overall and among Black and White
[Effect of different heat treatment on the bonding strength of porcelain and Co-Cr alloy].
Liao, Juan-kun; Ye, Jian-tao; Zhu, Feng; Zhang, Cui-cui; Wen, Xiao-shan; Zhang, Yi-ping; Li, Bo-hua
2011-12-01
To investigate and compare the effect of different heat treatment on the metal- ceramic bonding strength and the interfacial microstructure of the Co-Cr alloy. Thirty specimens were made according to ISO 9693,and then divided into 3 groups (n=10) through the measurements .Group A(degassed 60s):degassed and then maintained 60s in 980 degrees centigrade Group B(degassed 60s and preoxidation 60s): degassed and maintained 60s in 980 degrees centigrade, then were maintained continuously for 60s in 980 degrees centigrade after re-gassed,Group C(degassed 120s): degassed and maintained 120s in 980 degrees centigrade. The bonding strengths of the three groups were evaluated through three point bending test. Six specimens divided into 3 group were made in the same method to observe the metal-ceramic interface through scanning electronic microscope(SEM) and energy dispersive spectrum(EDS).The bonding strength data were analyzed using ANOVA and Bonferroni's test by SPSS13.0 software package. The mean value of bonding strength was (39.03±2.70)MPa for group A, (34.43±2.36)MPa for group B, (31.65±1.49)MPa for group C, respectively. There were significant difference between every two groups (P<0.05). SEM demonstrated that the width of interfacial transition layer was 12.3-16.4μm in group A, 15.2-21.8μm in group B and 26.3-32.2μm in group C. Higher metal-ceramic bonding strength for Co-Cr alloy will be formed under the situation of degassed,and maintained 60s in 980 degrees centigrade ; while extending degassed time, prolonging the heat maintained time and preoxidation after degassing will reduce metal-ceramic bonding strength.
Orlandi, Giorgio; Garavelli, Marco; Zerbetto, Francesco
2017-09-20
We analyze the highly resolved vibronic structure of the low energy (≤200 cm -1 ) region of the fluorescence and fluorescence excitation spectra of trans-stilbene in supersonic beams. In this spectral region the vibronic structure is associated mainly with vibrational levels of the C e -C e torsion (τ) and the a u combination of the two C e -C ph bond twisting (ϕ). We base this analysis on the well-established S 0 (τ, ϕ) two-dimensional potential energy surface (PES) and on a newly refined S 1 (τ, ϕ) PES. We obtain vibrational eigenvalues and eigenvectors of the anharmonic S 0 (τ, ϕ) and S 1 (τ, ϕ) PES using a numerical procedure based on the Meyer's flexible model [R. Meyer, J. Mol. Spectrosc., 1979, 76, 266]. Then we derive Franck-Condon factors and therefore intensities of the relevant vibronic bands for the S 0 → S 1 excitation and S 1 → S 0 fluorescence spectra. Furthermore, we assess the role of the b g combination of the two C e -C ph bond twisting (ν 48 ) in the structure of the S 1 → S 0 fluorescence spectra. By the use of these results we are able to assign most of the low energy vibrational levels of the S 0 → S 1 excitation spectra and of the fluorescence spectra of the emission from several low energy S 1 vibronic levels. The good agreement between the observed and the computed vibrational structure of the S 0 → S 1 and S 1 → S 0 spectra suggests that the proposed picture of the E 1 (τ, ϕ) and E 0 (τ, ϕ) PES, in particular along the coordinate τ governing trans-cis photo-isomerization in S 1 , is accurate. In S 0 , the barriers for the C e [double bond, length as m-dash]C e torsion and for the a u type C e -C ph bond twisting are 16 080 cm -1 and 3125 cm -1 , respectively, while in S 1 , where the bond orders of the C e [double bond, length as m-dash]C e and C e -C ph bonds are reversed, the two barriers become 1350 cm -1 and 8780 cm -1 , respectively.
Unique Bond Breaking in Crystalline Phase Change Materials and the Quest for Metavalent Bonding.
Zhu, Min; Cojocaru-Mirédin, Oana; Mio, Antonio M; Keutgen, Jens; Küpers, Michael; Yu, Yuan; Cho, Ju-Young; Dronskowski, Richard; Wuttig, Matthias
2018-05-01
Laser-assisted field evaporation is studied in a large number of compounds, including amorphous and crystalline phase change materials employing atom probe tomography. This study reveals significant differences in field evaporation between amorphous and crystalline phase change materials. High probabilities for multiple events with more than a single ion detected per laser pulse are only found for crystalline phase change materials. The specifics of this unusual field evaporation are unlike any other mechanism shown previously to lead to high probabilities of multiple events. On the contrary, amorphous phase change materials as well as other covalently bonded compounds and metals possess much lower probabilities for multiple events. Hence, laser-assisted field evaporation in amorphous and crystalline phase change materials reveals striking differences in bond rupture. This is indicative for pronounced differences in bonding. These findings imply that the bonding mechanism in crystalline phase change materials differs substantially from conventional bonding mechanisms such as metallic, ionic, and covalent bonding. Instead, the data reported here confirm a recently developed conjecture, namely that metavalent bonding is a novel bonding mechanism besides those mentioned previously. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Hannig, Christian; Hahn, Petra; Thiele, Patrick-Philipp; Attin, Thomas
2003-01-01
Contamination of etched enamel with repair bond agents during repair of dental restorations may interfere with the bonding of composite to enamel. This study examined the bond strength of adhesive filling materials to etched bovine enamel after pre-treatment with the repair systems Monobond S, Silibond and Co-Jet. The materials Tetric Ceram, Dyract and Definite and their corresponding bonding agents (Syntac Single Comp, Prime & Bond NT, Etch and Prime) were tested in combination with the repair systems. One hundred and thirty-five enamel specimens were etched (37% phosphoric acid, 60 seconds) and equally distributed among three groups (A-C). In Group A, the repair materials were applied on etched enamel followed by applying the composite materials without using their respective bonding material. In Group B, the composite materials were placed on etched enamel after applying the repair materials and bonding agents. In control Group C, the composite materials and bonding agents were applied on etched enamel without using the repair systems. In each sub-group, every composite material was applied on 15 specimens. Samples were stored in artificial saliva for 14 days and thermocycled 1,000 times (5 degrees C/55 degrees C). The shear bond strength of the samples were then determined in a universal testing machine (ISO 10477). Applying Monobond or Silibond followed by the use of its respective bonding agents resulted in a bond strength that was not statistically different from the controls for all filling materials (Group C). The three composites that used Monobond and Silibond without applying the corresponding bonding agent resulted in bond strengths that were significantly lower than the controls. Utilizing the Co-Jet-System drastically reduced the bond strength of composites on etched enamel. Contamination of etched enamel with the repairing bonding agents Monobond and Silibond does not interfere with bond strength if the application of Monobond and Silibond is
Influence of enamel conditioning on the shear bond strength of different adhesives.
Brauchli, Lorenz; Muscillo, Teodoro; Steineck, Markus; Wichelhaus, Andrea
2010-11-01
Phosphoric acid etching is the gold standard for enamel conditioning. However, it is possible that air abrasion or a combination of air abrasion and etching might result in enhanced adhesion. The aim of this study was to investigate the effect of different enamel conditioning methods on the bond strength of six adhesives. Three different enamel conditioning procedures (phosphoric acid etching, air abrasion, air abrasion + phosphoric acid etching) were evaluated for their influence on the shear bond strength of six different adhesives (Transbond™ XT, Cool-Bond™, Fuji Ortho LC, Ultra Band-Lok, Tetric(®) Flow, Light-Bond™). Each group consisted of 15 specimens. Shear forces were measured with a universal testing machine. The scores of the Adhesive Remnant Index (ARI) were also analyzed. There were no significant differences between phosphoric acid etching and air abrasion + phosphoric acid etching. Air abrasion as a single conditioning technique led to significantly lower shear forces. The ARI scores did not correlate with the shear strengths measured. There were greater variations in shear forces for the different adhesives than for the conditioning techniques. The highest shear forces were found for the conventional composites Transbond™ XT and Cool- Bond™ in combination with conventional etching. Air abrasion alone and in combination with phosphoric acid etching showed no advantages compared with phosphoric acid etching alone and, therefore, cannot be recommended.
Interstellar Isomers: The Importance of Bonding Energy Differences
NASA Technical Reports Server (NTRS)
Remijan, Anthony J.; Hollis, J. M.; Lovas, F. J.; Plusquellic, D. F.; Jewell, P. R.
2005-01-01
We present strong detections of methyl cyanide (CH3CN), vinyl cyanide (CH2CHCN), ethyl cyanide (CH3CH2CN) and cyanodiacetylene (HC4CN) molecules with the Green Bank Telescope (GBT) toward the Sgr B2(N) molecular cloud. Attempts to detect the corresponding isocyanide isomers were only successful in the case of methyl isocyanide (CH3NC) for its J(sub K) = 1(sub 0) - 0(sub 0) transition, which is the first interstellar report of this line. To determine the spatial distribution of CH3NC, we used archival Berkeley-Illinois-Maryland Association (BIMA) array data for the J(sub K) = 1(sub 0) - 0(sub 0) transitions but no emission was detected. From ab initio calculations, the bonding energy difference between the cyanide and isocyanide molecules is greater than 8500 per centimeter (greater than 12,000 K). Thus, cyanides are the more stable isomers and would likely be formed more preferentially over their isocyanide counterparts. That we detect CH3NC emission with a single antenna (Gaussian beamsize(omega(sub B))=1723 arcsec(sup 2)) but not with an interferometer (omega(sub b)=192 arcsec(sup 2)), strongly suggests that CH3NC has a widespread spatial distribution toward the Sgr B2(N) region. Other investigators have shown that CH3CN is present both in the LMH hot core of Sgr B2(N) and in the surrounding medium, while we have shown that CH3NC appears to be deficient in the LMH hot core. Thus, largescale, non-thermal processes in the surrounding medium may account for the conversion of CH3CN to CH3NC while the LMH hot core, which is dominated by thermal processes, does not produce a significant amount of CH3NC. Ice analog experiments by other investigators have shown that radiation bombardment of CH3CN can produce CH3NC, thus supporting our observations. We conclude that isomers separated by such large bonding energy differences are distributed in different interstellar environments, making the evaluation of column density ratios between such isomers irrelevant unless it can
Li, Hui; Li, Wei; Li, Shuhua; Ma, Jing
2008-06-12
Molecular fragmentation quantum mechanics (QM) calculations have been combined with molecular mechanics (MM) to construct the fragmentation QM/MM method for simulations of dilute solutions of macromolecules. We adopt the electrostatics embedding QM/MM model, where the low-cost generalized energy-based fragmentation calculations are employed for the QM part. Conformation energy calculations, geometry optimizations, and Born-Oppenheimer molecular dynamics simulations of poly(ethylene oxide), PEO(n) (n = 6-20), and polyethylene, PE(n) ( n = 9-30), in aqueous solution have been performed within the framework of both fragmentation and conventional QM/MM methods. The intermolecular hydrogen bonding and chain configurations obtained from the fragmentation QM/MM simulations are consistent with the conventional QM/MM method. The length dependence of chain conformations and dynamics of PEO and PE oligomers in aqueous solutions is also investigated through the fragmentation QM/MM molecular dynamics simulations.
Length-dependent structural stability of linear monatomic Cu wires
NASA Astrophysics Data System (ADS)
Singh, Gurvinder; Kumar, Krishan; Singh, Baljinder; Moudgil, R. K.
2018-05-01
We present first-principle calculations based on density functional theory for the finite-length monatomic Cu atom linear wires. The structure and its stability with increasing wire length in terms of number of atoms (N) is determined. Interestingly, the bond length is found to exhibit an oscillatory structure (the so-called magic length phenomenon), with a qualitative change in oscillatory behavior as one moves from even N wire to odd N wire. The even N wires follow simple even-odd oscillations whereas odd N wires show a phase change at the half length of the wires. The stability of the wire structure, determined in terms of the wire formation energy, also contains even-odd oscillation as a function of wire length. However, the oscillations in formation energy reverse its phase after the wire length is increased beyond N=12. Our findings are seen to be qualitatively consistent with recent simulations for a similar class finite-length metal atom wires.
Li, Xiaoyu; Gao, Yang; Boott, Charlotte E.; Winnik, Mitchell A.; Manners, Ian
2015-01-01
Nature uses orthogonal interactions over different length scales to construct structures with hierarchical levels of order and provides an important source of inspiration for the creation of synthetic functional materials. Here, we report the programmed assembly of monodisperse cylindrical block comicelle building blocks with crystalline cores to create supermicelles using spatially confined hydrogen-bonding interactions. We also demonstrate that it is possible to further program the self-assembly of these synthetic building blocks into structures of increased complexity by combining hydrogen-bonding interactions with segment solvophobicity. The overall approach offers an efficient, non-covalent synthesis method for the solution-phase fabrication of a range of complex and potentially functional supermicelle architectures in which the crystallization, hydrogen-bonding and solvophobic interactions are combined in an orthogonal manner. PMID:26337527
Anisotropy of atomic bonds formed by p-type dopants in bulk GaN crystals
NASA Astrophysics Data System (ADS)
Lawniczak-Jablonska, K.; Suski, T.; Gorczyca, I.; Christensen, N. E.; Libera, J.; Kachniarz, J.; Lagarde, P.; Cortes, R.; Grzegory, I.
The anisotropy of atomic bonds formed by acceptor dopants with nitrogen in bulk wurtzite GaN crystals was studied by means of linearly polarized synchrotron radiation used in measurements of X-ray-absorption spectra for the K-edgeof Mg and Zn dopants. These spectra correspond to i) a single acceptor N bond along the c-axis and ii) three bonds realized with N atoms occupying the ab-plane perpendicular to the c-axis. The Zn dopant formed resonant spectra similar to that characteristic for Ga cations. In the case of the Mg dopant, similarity to Ga cations was observed for triple bonds in the ab-plane, only. Practically no resonant structure for spectra detected along the c-axis was observed. The absorption spectra were compared with ab initio calculations using the full-potential linear muffin-tin-orbital method. These calculations were also used for determination of the bond length for Mg-N and Zn-N in wurtzite GaN crystals and show that introducing dopants causes an increase of the lengths of the bonds formed by both dopants. Extended X-ray-absorption fine-structure measurements performed for bulk GaN:Zn confirmed the prediction of the theory in the case of the Zn-N bond. Finally, it is suggested that the anisotropy in the length of the Mg-N bonds, related to their larger strength in the case of bonds in the ab-plane, can explain preferential formation of a superlattice consisting of Mg-rich layers arranged in ab-planes of several bulk GaN:Mg crystals observed by transmission electron microscopy. Within the sensitivity of the method used, no parasitic metallic clusters or oxide compounds formed by the considered acceptors in GaN crystals were found.
Electrostatic persistence length.
Fixman, Marshall
2010-03-11
The persistence length is calculated for polyelectrolyte chains with fixed bond lengths and bond angles (pi-theta), and a potential energy consisting of the screened Coulomb interaction between beads, potential wells alpha phi(i)2 for the dihedral angles phi(i), and coupling terms beta phi(i) phi(i+/-1). This model defines a librating chain that reduces in appropriate limits to the freely rotating or wormlike chains, it can accommodate local crumpling or extreme stiffness, and it is easy to simulate. A planar-quadratic (pq), analytic approximation is based on an expansion of the electrostatic energy in eigenfunctions of the quadratic form that describes the backbone energy, and on the assumption that the quadratic form not only is positive but also adequately confines the chain in an infinite phase space of dihedral angles to the physically unique part with all |phi(i)| < pi. The pq approximation is available under these weak constraints, but the simulations confirm its quantitative accuracy only under the expected condition that alpha is large, that is, for very stiff chains. Stiff chains can also be simulated with small alpha and small theta and compared to an OSF approximation suitably generalized to chains with finite rather than vanishing theta, and increasing agreement with OSF is found the smaller is theta. The two approximations, one becoming exact as alpha --> infinity with fixed theta, the other as theta --> 0 with fixed alpha, are quantitatively similar in behavior, both giving a persistence length P = P0 + aD2 for stiff chains, where D is the Debye length. However, the coefficient apq is about twice the value of aOSF. Under other conditions the simulations show that P may or not be linear in D2 at small or moderate D, depending on the magnitudes of alpha, beta, theta, and the charge density but always becomes linear at large D. Even at a moderately low charge density, corresponding to fewer than 20% of the beads being charged, and with strong crumpling
Slack length of gastrocnemius medialis and Achilles tendon occurs at different ankle angles.
Hug, François; Lacourpaille, Lilian; Maïsetti, Olivier; Nordez, Antoine
2013-09-27
Although muscle-tendon slack length is a crucial parameter used in muscle models, this is one of the most difficult measures to estimate in vivo. The aim of this study was to determine the onset of the rise in tension (i.e., slack length) during passive stretching in both Achilles tendon and gastrocnemius medialis. Muscle and tendon shear elastic modulus was measured by elastography (supersonic shear imaging) during passive plantarflexion (0° and 90° of knee angle, 0° representing knee fully extended, in a random order) in 9 participants. The within-session repeatability of the determined slack length was good at 90° of knee flexion (SEM=3.3° and 2.2° for Achilles tendon and gastrocnemius medialis, respectively) and very good at 0° of knee flexion (SEM=1.9° and 1.9° for Achilles tendon and gastrocnemius medialis, respectively). The slack length of gastrocnemius medialis was obtained at a significantly lower plantarflexed angle than for Achilles tendon at both 0° (P<0.0001; mean difference=19.4±3.8°) and 90° of knee flexion (P<0.0001; mean difference=25.5±7.6°). In conclusion, this study showed that the joint angle at which the tendon falls slack can be experimentally determined using supersonic shear imaging. The slack length of gastrocnemius medialis and Achilles tendon occurred at different joint angles. Although reporting this result is crucial to a better understanding of muscle-tendon interactions, further experimental investigations are required to explain this result. Copyright © 2013 Elsevier Ltd. All rights reserved.
Microscopic optical path length difference and polarization measurement system for cell analysis
NASA Astrophysics Data System (ADS)
Satake, H.; Ikeda, K.; Kowa, H.; Hoshiba, T.; Watanabe, E.
2018-03-01
In recent years, noninvasive, nonstaining, and nondestructive quantitative cell measurement techniques have become increasingly important in the medical field. These cell measurement techniques enable the quantitative analysis of living cells, and are therefore applied to various cell identification processes, such as those determining the passage number limit during cell culturing in regenerative medicine. To enable cell measurement, we developed a quantitative microscopic phase imaging system based on a Mach-Zehnder interferometer that measures the optical path length difference distribution without phase unwrapping using optical phase locking. The applicability of our phase imaging system was demonstrated by successful identification of breast cancer cells amongst normal cells. However, the cell identification method using this phase imaging system exhibited a false identification rate of approximately 7%. In this study, we implemented a polarimetric imaging system by introducing a polarimetric module to one arm of the Mach-Zehnder interferometer of our conventional phase imaging system. This module was comprised of a quarter wave plate and a rotational polarizer on the illumination side of the sample, and a linear polarizer on the optical detector side. In addition, we developed correction methods for the measurement errors of the optical path length and birefringence phase differences that arose through the influence of elements other than cells, such as the Petri dish. As the Petri dish holding the fluid specimens was transparent, it did not affect the amplitude information; however, the optical path length and birefringence phase differences were affected. Therefore, we proposed correction of the optical path length and birefringence phase for the influence of elements other than cells, as a prerequisite for obtaining highly precise phase and polarimetric images.
Lorentzen, Steinar; Bakali, Jan Vegard; Hersoug, Anne Grete; Hagtvet, Knut A; Ruud, Torleif; Høglend, Per
2012-09-01
Little research has been done on therapeutic alliance in group psychotherapy, especially the impact of treatment duration and therapist professional characteristics. Therapeutic alliance was rated by patients on the Working Alliance Inventory-Short Form at three time points (sessions 3, 10 and 17) in a randomized controlled trial of short-term and long-term psychodynamic group psychotherapy. As predictors we selected therapist clinical experience and length of didactic training, which have demonstrated ambiguous results in previous research. Linear latent variable growth curve models (structural equation modeling) were developed for the three Working Alliance Inventory-Short Form subscales bond, task and goal. We found a significant variance in individual growth curves (intercepts and slopes) but no differential development due to group length. Longer therapist formal training had a negative impact on early values of subscale task in both treatments. There was an interaction between length of the therapists' clinical experience and group length on early bond, task and goal: therapists with longer clinical experience were rated lower on initial bond in the long-term group but less so in the short-term group. Longer clinical experience influenced initial task and goal positively in the short-term group but was unimportant for task or significantly negative for goal in the long-term group. There was no mean development of alliance, and group length did not differentially impact the alliance during 6 months. Early ratings of the three Working Alliance Inventory-Short Form subscales partly reflected different preparations of patients in the two group formats, partly therapist characteristics, but more research is needed to see how these aspects impact alliance development and outcome. Therapists should pay attention to all three aspects of the alliance, when they prepare patients for group therapy. In psychodynamic groups, length of therapy does not differentiate the
Shear Bond Strength of Ceramic Brackets with Different Base Designs: Comparative In-vitro Study
Ansari, Mohd. Younus; Agarwal, Deepak K; Bhattacharya, Preeti; Ansar, Juhi; Bhandari, Ravi
2016-01-01
Introduction Knowledge about the Shear Bond Strength (SBS) of ceramic brackets with different base design is essential as it affects bond strength to enamel. Aim The aim of the present study was to evaluate and compare the effect of base designs of different ceramic brackets on SBS, and to determine the fracture site after debonding. Materials and Methods Four groups of ceramic brackets and one group of metal brackets with different base designs were used. Adhesive precoated base of Clarity Advanced (APC Flash-free) (Unitek/3M, Monrovia, California), microcrystalline base of Clarity Advanced (Unitek/3M, Monrovia, California), polymer mesh base of InVu (TP Orthodontics, Inc., La Porte, IN, United States), patented bead ball base of Inspire Ice (Ormco, Glendora, California), and a mechanical mesh base of Gemini Metal bracket (Unitek/3M, Monrovia, California). Ten brackets of each type were bonded to 50 maxillary premolars with Transbond XT (Unitek/3M). Samples were stored in distilled water at room temperature for 24 hours and subsequently tested in shear mode on a universal testing machine (Model 3382; Instron Corp., Canton, Massachusetts, USA) at a cross head speed of 1mm/minute with the help of a chisel. The debonded interface was recorded and analyzed to determine the predominant bond failure site under an optical microscope (Stereomicroscope) at 10X magnification. One way analysis of variance (ANOVA) was used to compare SBS. Tukey’s significant differences tests were used for post-hoc comparisons. The Adhesive Remnant Index (ARI) scores were compared by chi-square test. Results Mean SBS of microcrystalline base (27.26±1.73), was the highest followed by bead ball base (23.45±5.09), adhesive precoated base (20.13±5.20), polymer mesh base (17.54±1.91), and mechanical mesh base (17.50±2.41) the least. Comparing the frequency (%) of ARI Score among the groups, chi-square test showed significantly different ARI scores among the groups (χ2 = 34.07, p<0
Effect of different surface treatments on shear bond strength of zirconia to three resin cements
NASA Astrophysics Data System (ADS)
Dadjoo, Nisa
Statement of problem: There are no standard guidelines for material selection to obtain acceptable bonding to high-strength zirconium oxide ceramic. Studies suggest resin cements in combination with MDP-containing primer is a reasonable choice, however, the other cements cannot be rejected and need further investigation. Objective: The purpose of this in vitro study was the evaluation of the shear bond strength of three composite resin cements to zirconia ceramic after using different surface conditioning methods. Materials and methods: One hundred and twenty sintered Y-TZP ceramic (IPS e.max ZirCAD) squares (8 x 8 x 4 mm) were embedded in acrylic molds, then divided into three groups (n=40) based on the type of cement used. Within each group, the specimens were divided into four subgroups (n=10) and treated as follows: (1) Air abrasion with 50microm aluminum oxide (Al2O 3) particles (ALO); (2) Air abrasion + Scotchbond Universal adhesive (SBU); (3) Air abrasion + Monobond Plus (MBP); (4) Air abrasion + Z-Prime Plus (ZPP). Composite cylinders were used as carriers to bond to conditioned ceramic using (1) RelyX Ultimate adhesive resin cement (RX); (2) Panavia SA self-adhesive resin cement (PSA); (3) Calibra esthetic cement (CAL). The bonded specimens were submerged in distilled water and subjected to 24-hour incubation period at 37°C. All specimens were stressed in shear at a constant crosshead speed of 0.5 mm/min until failure. Statistical analysis was performed by ANOVA. The bond strength values (MPa), means and standard deviations were calculated and data were analyzed using analysis of variance with Fisher's PLSD multiple comparison test at the 0.05 level of significance. The nature of failure was recorded. Results: The two-way ANOVA showed Panavia SA to have the highest strength at 44.3 +/- 16.9 MPa (p<0.05). The combination of Scotchbond Universal surface treatment with Panavia SA cement showed statistically higher bond strength (p=0.0054). The highest bond
Verma, Radhika; Singh, Udai Pratap; Tyagi, Shashi Prabha; Nagpal, Rajni; Manuja, Naveen
2013-01-01
Objective: To evaluate the effect of 2% chlorhexidine (CHX) and 30% proanthocyanidin (PA) application on the immediate and long-term bond strength of simplified etch-and-rinse adhesives to dentin. Materials and Methods: One hundred twenty extracted human molar teeth were ground to expose the flat dentin surface. The teeth were equally divided into six groups according to the adhesives used, either Tetric N Bond or Solobond M and pretreatments given either none, CHX, or PA. Composite cylinder was bonded to each specimen using the respective adhesive technique. Half the samples from each group (n = 10) were then tested immediately. The remaining samples were tested after 6 month storage in distilled water. Results: The mean bond strength of samples was not significantly different upon immediate testing being in the range of 8.4(±0.7) MPa. The bond strength fell dramatically in the control specimens after 6 month storage to around 4.7(±0.33) MPa, while the bond strength was maintained in the samples treated with both CHX and PA. Conclusion: Thirty percent PA was comparable to 2% CHX with respect to preservation of the resin dentin bond over 6 months. PMID:23956543
Evaluation of bond strength of various epoxy resin based sealers in oval shaped root canals.
Cakici, Fatih; Cakici, Elif Bahar; Ceyhanli, Kadir Tolga; Celik, Ersan; Kucukekenci, Funda Fundaoglu; Gunseren, Arif Onur
2016-09-30
The aim of this study was to evaluate the bond strength of AH plus, Acroseal, and Adseal to the root canal dentin. A total of 36 single-rooted, mandibular premolar teeth were used. Root canal shaping procedures were performed with ProTaper rotary instruments (Dentsply Maillefer) up to size F4. The prepared samples were then randomly assembled into 3 groups (n = 12). For each group, an ultrasonic tip (size 15, 0.02 taper) which was also coated with an epoxy resin based sealer and placed 2 mm shorter than the working length. The sealer was then activated for 10 s. A push-out test was used to measure the bond strength between the root canal dentine and the sealer. Kruskal-Wallis test to evaluate the push-out bond strength of epoxy based sealer (P = 0.05). The failure mode data were statistically analyzed using Pearson's chi square test (P = 0.05). Kruskal-Wallis test indicated that there were no statistically significant difference among the push out bond strength values of 3 mm (p = 0.123) and 6 mm (P = 0.057) for groups, there was statistically significant difference push out bond strength value of 9 mm (P = 0.032). Pearson's chi square test showed statistically significant differences for the failure types among the groups. Various epoxy resin based sealers activated ultrasonically showed similar bond strength in oval shaped root canals. Apical sections for all groups have higher push out bond strength values than middle and coronal sections.
Hooshmand, Tabassom; Rostami, Golriz; Behroozibakhsh, Marjan; Fatemi, Mostafa; Keshvad, Alireza; van Noort, Richard
2012-02-01
To evaluate the effect of HF acid etching and silane treatment on the interfacial fracture toughness of a self-adhesive and two conventional resin-based cements bonded to a lithium disilicate glass ceramic. Lithium disilicate glass ceramic discs were prepared with two different surface preparations consisting of gritblasted with aluminium oxide, and gritblasted and etched with hydrofluoric acid. Ceramic surfaces with a chevron shaped circular hole were treated by an optimized silane treatment followed by an unfilled resin and then three different resin cements (Variolink II, Panavia F2, and Multilink Sprint). Specimens were kept in distilled water at 37°C for 24h and then subjected to thermocycling. The interfacial fracture toughness was measured and mode of failures was also examined. Data were analysed using analysis of variance followed by T-test analysis. No statistically significant difference in the mean fracture toughness values between the gritblasted and gritblasted and etched surfaces for Variolink II resin cement was found (P>0.05). For the gritblasted ceramic surfaces, no significant difference in the mean fracture toughness values between Panavia F2 and Variolink II was observed (P>0.05). For the gritblasted and etched ceramic surfaces, a significantly higher fracture toughness for Panavia F2 than the other cements was found (P<0.05). The interfacial fracture toughness for the lithium disilicate glass ceramic system was affected by the surface treatment and the type of luting agent. Dual-cured resin cements demonstrated a better bonding efficacy to the lithium disilicate glass ceramic compared to the self-adhesive resin cement. The lithium disilicate glass ceramic surfaces should be gritblasted and etched to get the best bond when used with Panavia F2 and Multilink Sprint resin cements, whereas for the Variolink II only gritblasting is required. The best bond overall is achieved with Panavia F2. Copyright © 2011 Elsevier Ltd. All rights reserved.
Büyükyilmaz, T; Zachrisson, B U
1998-08-01
Flat rectangular tabs (n = 270) prepared from spherical (Tytin), admixed (Dispersalloy) or lathe-cut amalgam (ANA 2000) were subjected to aluminum oxide sandblasting with either 50-mu or 90-mu abrasive powder. Mandibular incisor edgewise brackets were bonded to these tabs. An intermediate resin was used, either All-Bond 2 Primers A + B or a 4-META product--Amalgambond Plus (AP) or Reliance Metal Primer (RMP)--followed by Concise. All specimens were stored in water at 37 degrees C for 24 hours and thermocycled 1000 times from 5 degrees C to 55 degrees C and back before tensile bond strength testing. The bond strength of Concise to etched enamel of extracted, caries-free premolars was used as a control. Bond failure sites were classified using a modified adhesive remnant index (ARI) system. Results were expressed as mean bond strength with SD, and as a function relating the probability of bond failure to stress by means of Weibull analysis. Mean tensile bond strength in the experimental groups ranged from 2.9 to 11.0 MPa--significantly weaker than the control sample (16.0 MPa). Bond failure invariably occurred at the amalgam/adhesive interface. The strongest bonds were created to the spherical and lathe-cut amalgams (range 6.8 to 11.0 MPa). Bonds to the spherical amalgam were probably more reliable. The intermediate application of the 4-META resins AP and RMP generally created significantly stronger bonds to all three basic types of amalgam products than the bonds obtained with the All-Bond 2 primers. The effect of abrasive-particle size on bond strength to different amalgam surfaces was not usually significant (p > 0.05). The implications of these findings are discussed in relationship to clinical experience bonding orthodontic attachments to large amalgam restorations in posterior teeth.
Fatemeh, Koohpeima; Mohammad Javad, Mokhtari; Samaneh, Khalafi
2017-01-01
The purpose of this study was to investigate the effect of silver nanoparticles on composite shear bond strength using one etch and rinse and one self-etch adhesive systems. Silver nanoparticles were prepared. Transmission electron microscope and X-ray diffraction were used to characterize the structure of the particles. Nanoparticles were applied on exposed dentin and then different adhesives and composites were applied. All samples were tested by universal testing machine and shear bond strength was assesed. Particles with average diameter of about 20 nm and spherical shape were found. Moreover, it was shown that pretreatment by silver nanoparticles enhanced shear bond strength in both etch and rinse, and in self-etch adhesive systems (p≤0.05). Considering the positive antibacterial effects of silver nanoparticles, using them is recommended in restorative dentistry. It seems that silver nanoparticles could have positive effects on bond strength of both etch-and-rinse and self-etch adhesive systems. The best results of silver nanoparticles have been achieved with Adper Single Bond and before acid etching.
Differences in caregiver daily impression by sex, education and career length.
Ae, Ryusuke; Kojo, Takao; Kotani, Kazuhiko; Okayama, Masanobu; Kuwabara, Masanari; Makino, Nobuko; Aoyama, Yasuko; Sano, Takashi; Nakamura, Yosikazu
2017-03-01
We previously proposed the concept of caregiver daily impression (CDI) as a practical tool for emergency triage. We herein assessed how CDI varies by sex, education and career length by determining CDI scores as quantitative outcome measures. We carried out a cross-sectional study using a self-reported questionnaire among caregivers in 20 long-term care facilities in Hyogo, Japan. A total of 10 CDI variables measured participants' previous experience of emergency transfers using a scale from 0-10. The resulting total was defined as the CDI score. We hypothetically considered that higher scores indicated greater caregiver focus. The CDI scores were compared by sex, education and career length using analysis of covariance. A total of 601 personal caregivers were evaluated (mean age 36.7 years; 36% men). The mean career length was 6.9 years, with the following groupings: 1-4 years (38%), 5-9 years (37%) and >10 years (24%). After adjustment for sex and education, the CDI scores for the variable, "poor eye contact," significantly differed between caregivers with ≥10 and <5 years of experience (scores of 5.0 ± 3.1 and 4.0 ± 2.7, respectively). The CDI scores for variables related to eyes tended to increase with experience, whereas other CDI scores decreased. Male caregivers focused on residents' eyes significantly more than did female caregivers. We found that the CDI variable, "poor eye contact," is influenced by career length. Caregivers with more experience attach more importance to their impression of residents' eyes than do those with less experience. Sex-related differences in CDI might also exist. Geriatr Gerontol Int 2016; 17: 410-415. © 2016 Japan Geriatrics Society.
Buehringer, Martina U; Padberg, Kevin; Phleps, Martin; Maid, Harald; Placht, Christian; Neiss, Christian; Ferguson, Michael; Goerling, Andreas; Tykwinski, Rik R
2018-03-31
Bonding is the fundamental aspect of organic chemistry, yet the magnitude of C=C bonding in [n]cumulenes as a function of increasing chain length has yet to be experimentally verified for derivatives longer than n = 5. The synthesis of a series of apolar and unsymmetrically substituted tetraaryl[n]cumulenes (n = 3, 5, 7, 9) has been developed and rotational barriers for Z-/E-isomerization have been measured using dynamic VT-NMR spectroscopy. Both experiment and theory confirm a dramatic reduction of the rotational barrier (through estimation of G≠rot for the isomerization) from >24 to 19 to 15 to 11 kcal-1 in [n]cumulenes with n = 3, 5, 7, 9, respectively. Thus, the reduction of cumulenic bonding in longer cumulenes affords bond rotational barriers that are more characteristic of a sterically hindered single bond than that of a double bond. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Rudolf, Katrin; Umetsu, Daiki; Aliee, Maryam; Sui, Liyuan; Jülicher, Frank; Dahmann, Christian
2015-11-15
Tissue organization requires the interplay between biochemical signaling and cellular force generation. The formation of straight boundaries separating cells with different fates into compartments is important for growth and patterning during tissue development. In the developing Drosophila wing disc, maintenance of the straight anteroposterior (AP) compartment boundary involves a local increase in mechanical tension at cell bonds along the boundary. The biochemical signals that regulate mechanical tension along the AP boundary, however, remain unknown. Here, we show that a local difference in Hedgehog signal transduction activity between anterior and posterior cells is necessary and sufficient to increase mechanical tension along the AP boundary. This difference in Hedgehog signal transduction is also required to bias cell rearrangements during cell intercalations to keep the characteristic straight shape of the AP boundary. Moreover, severing cell bonds along the AP boundary does not reduce tension at neighboring bonds, implying that active mechanical tension is upregulated, cell bond by cell bond. Finally, differences in the expression of the homeodomain-containing protein Engrailed also contribute to the straight shape of the AP boundary, independently of Hedgehog signal transduction and without modulating cell bond tension. Our data reveal a novel link between local differences in Hedgehog signal transduction and a local increase in active mechanical tension of cell bonds that biases junctional rearrangements. The large-scale shape of the AP boundary thus emerges from biochemical signals inducing patterns of active tension on cell bonds. © 2015. Published by The Company of Biologists Ltd.
Significance of DNA bond strength in programmable nanoparticle thermodynamics and dynamics.
Yu, Qiuyan; Hu, Jinglei; Hu, Yi; Wang, Rong
2018-04-04
Assembly of nanoparticles (NPs) coated with complementary DNA strands leads to novel crystals with nanosized basic units rather than classic atoms, ions or molecules. The assembly process is mediated by hybridization of DNA via specific base pairing interaction, and is kinetically linked to the disassociation of DNA duplexes. DNA-level physiochemical quantities, both thermodynamic and kinetic, are key to understanding this process and essential for the design of DNA-NP crystals. The melting transition properties are helpful to judge the thermostability and sensitivity of relative DNA probes or other applications. Three different cases are investigated by changing the linker length and the spacer length on which the melting properties depend using the molecular dynamics method. Melting temperature is determined by sigmoidal melting curves based on hybridization percentage versus temperature and the Lindemann melting rule simultaneously. We provide a computational strategy based on a coarse-grained model to estimate the hybridization enthalpy, entropy and free energy from percentages of hybridizations which are readily accessible in experiments. Importantly, the lifetime of DNA bond dehybridization based on temperature and the activation energy depending on DNA bond strength are also calculated. The simulation results are in good agreement with the theoretical analysis and the present experimental data. Our study provides a good strategy to predict the melting temperature which is important for the DNA-directed nanoparticle system, and bridges the dynamics and thermodynamics of DNA-directed nanoparticle systems by estimating the equilibrium constant from the hybridization of DNA bonds quantitatively.
Noble gas bond and the behaviour of XeO3 under pressure.
Hou, Chunju; Wang, Xianlong; Botana, Jorge; Miao, Maosheng
2017-10-18
Over the past few decades, the concept of hydrogen bonds, in which hydrogen is electrophilic, has been extended to halogen bonds, chalcogen bonds and pnicogen bonds. Herein, we show that such a non-covalent bonding also exists in noble gas compounds. Using first principles calculations, we illustrate the OXe-O bond in molecular crystal XeO 3 and its effect on the behavior of this compound under pressure. Our calculations show that the covalent Xe-O bond lengths were elongated with increasing pressure and correspondingly the Xe-O stretching vibration frequencies were red shifted, which is similar to the change of H-bonds under pressure. The OXe-O bond and related hopping of O between neighboring Xe sites also correspond to the structural changes in the XeO 3 compounds at about 2 GPa. Our study extends the concept of hydrogen bonding to include all p-block elements and show a new bonding type for Noble gas elements in which it acts as an electrophilic species.
Gregoire, Geneviève L; Akon, Bernadette A; Millas, Arlette
2002-06-01
Many dentin bonding systems of different compositions, and in particular containing different solvents, have been introduced to the market. Their effect on the quality of the interface requires clarification by means of comparative trials. This study investigated micromorphological differences in hybrid layer formation with a variety of commercially available water- or solvent-based dentin bonding products and their recommended compomers. Five bonding systems were used on groups of 10 teeth each as follows: group I, acetone-based system used with 36% phosphoric acid; group II, a different acetone-based system containing nano-sized particles for filler loading and used with a non-rinsing conditioner containing maleic acid; group III, the acetone-based system of group II used with 36% phosphoric acid (the only difference in the treatment for groups II and III was the acid etching system); group IV, a mixed-solvent-based system (water/ethanol) used with 37% phosphoric acid; and group V, a water-based system used with 37% phosphoric acid. Each bonding system was covered with the recommended compomer. Class I occlusal preparations were made in extracted teeth and restored with one of the above systems. Five specimens of each group were studied with optical microscopy after staining. Scanning electron microscopy was used to examine the interface of the bonding system/dentin of the other 5 teeth in each group. The optical microscopy measurements were made with a 10 x 10 reticle. A micron mark with scale was used for the scanning electron microscope. All measurements were made in microm. The following criteria were used to define a good interface: absence of voids between the different parts of the interface, uniformity of the hybrid layer, good opening of the tubuli orifices, and tag adherence to the tubuli walls. Morphological differences were found at the interface depending on dentin treatment and adhesive composition. The acetone-containing systems were associated
Sen, D; Nayir, E; Pamuk, S
2000-11-01
Although the bond strengths of various resin composite luting materials have been reported in the literature, the evaluation of these systems with various cast alloys of different compositions has not been completely clarified. To evaluate the tensile bond strength of sandblasted high-noble, noble, and base metal alloys bonded to etched enamel by 2 different bonding agents of different chemical composition: Panavia-Ex (BIS-GMA) and Super-Bond (4-META acrylic). Flat enamel surfaces were prepared on buccal surfaces of 60 extracted noncarious human incisors. Teeth were divided into 3 groups of 20 each. Twenty circular disks of 5 mm diameter were prepared for casting for each group. Group I was cast with a high-noble, group II with a noble, and group III with a base metal alloy. The surfaces of the disks were sandblasted with 250 microm Al(2)O(3). Ten disks of each group were bonded to exposed enamel surfaces with Super-Bond and 10 disks with Panavia-Ex as recommended by the manufacturer. The tensile bond strength was measured with an Instron universal testing machine with a crosshead speed of 0.5 mm/min until failure occurred. Two-way ANOVA was used to evaluate the results. The differences in bond strengths of Super-Bond and Panavia-Ex with different alloys were not significant. The highest bond strengths were obtained in base metal alloys, followed by noble and high-noble alloys. These results were significant. Panavia-Ex and Super-Bond exhibited comparable tensile bond strengths. For both luting agents, the highest bond strengths were achieved with base metal alloys and the lowest with high-noble alloys.
NASA Astrophysics Data System (ADS)
Berdnikov, Y.; Zhiglinsky, A. A.; Rylkova, M. V.; Dubrovskii, V. G.
2017-11-01
We present a model for kinetic broadening effects on the length distributions of Au-catalyzed III-V nanowires obtained in the growth regime with adatom diffusion from the substrate and the nanowire sidewalls to the top. We observe three different regimes for the length distribution evolution with time. For short growth times, the length distribution is sub-Poissonian, converting to broader than Poissonian with increasing the mean length above a certain threshold value. After the diffusion flux from the nanowire sidewalls has stabilized, the length distribution variance increases linearly with the mean length, as in the Poissonian process.
Jones, Christopher W; Gambala, Cecilia; Esteves, Kyle C; Wallace, Maeve; Schlesinger, Reid; O'Quinn, Marguerite; Kidd, Laura; Theall, Katherine P; Drury, Stacy S
2017-03-01
Health disparities begin early in life and persist across the life course. Despite current efforts, black women exhibit greater risk for pregnancy complications and negative perinatal outcomes compared with white women. The placenta, which is a complex multi-tissue organ, serves as the primary transducer of bidirectional information between the mother and fetus. Altered placental function is linked to multiple racially disparate pregnancy complications; however, little is known about racial differences in molecular factors within the placenta. Several pregnancy complications, which include preeclampsia and fetal growth restriction, exhibit racial disparities and are associated with shorter placental telomere length, which is an indicator of cellular stress and aging. Cellular senescence and telomere dynamics are linked to the molecular mechanisms that are associated with the onset of labor and parturition. Further, racial differences in telomere length are found in a range of different peripheral tissues. Together these factors suggest that exploration of racial differences in telomere length of the placenta may provide novel mechanistic insight into racial disparities in birth outcomes. This study examined whether telomere length measured in 4 distinct fetally derived tissues were significantly different between black and white women. The study had 2 hypotheses: (1) that telomere length that is measured in different placental tissue types would be correlated and (2) that across all sampled tissues telomere length would differ by race. In a prospective study, placental tissue samples were collected from the amnion, chorion, villus, and umbilical cord from black and white singleton pregnancies (N=46). Telomere length was determined with the use of monochrome multiplex quantitative real-time polymerase chain reaction in each placental tissue. Demographic and pregnancy-related data were also collected. Descriptive statistics characterized the sample overall and among
Li, Na; Nikaido, Toru; Takagaki, Tomohiro; Sadr, Alireza; Makishi, Patricia; Chen, Jihua; Tagami, Junji
2010-09-01
To investigate the effects of two functional monomers on caries-inhibition potential and bond strength of two-step self-etching adhesive systems to enamel. Clearfil SE Bond and similar experimental formulations different in the functional monomer were used. Four combinations of primer and bonding agents were evaluated: (1) Clearfil SE Bond which contains MDP in both primer and bonding (M-M); (2) Clearfil SE Bond primer and Phenyl-P in bonding (M-P); (3) Phenyl-P in primer and Clearfil SE Bond bonding (P-M); (4) Phenyl-P in primer and bonding (P-P). Ground buccal enamel surfaces of human sound premolars were treated with one of the systems and the bonded interface was exposed to an artificial demineralising solution (pH 4.5) for 4.5 h, and then 5% NaOCl with ultrasonication for 30 min. After argon-ion etching, the interfacial ultrastructure was observed using SEM. Micro-shear bond strength to enamel was measured for all groups and results were analysed using one-way ANOVA and Turkey's HSD, while failure modes were analysed by chi-square test. An acid-base resistant zone (ABRZ) was found with all adhesive systems containing MDP either in primer or bond; however, ultramorphology and crystallite arrangement in the ABRZ were different among groups. P-P was the only group devoid of this protective zone. Micro-shear bond strength in M-M was significantly higher than those in M-P, P-M and P-P, while the latter three were not different from each other. Failure modes were significantly different (p<0.05). Functional monomers in two-step self-etching systems influence both the bonding performance and the formation of ABRZ on enamel. Copyright 2010 Elsevier Ltd. All rights reserved.
Effect of different root canal obturating materials on push-out bond strength of a fiber dowel.
Aggarwal, Vivek; Singla, Mamta; Miglani, Sanjay; Kohli, Sarita
2012-07-01
During dowel space preparation, the instrumentation forms a thick smear layer along with sealer-occluded dentinal tubules. The purpose of this study was to evaluate the effect of different obturating materials on push-out bond strength of a fiber dowel. Fifty human uniradicular teeth were decoronated and prepared using the step-back technique. The specimens were divided into five groups on the basis of obturating materials: group I received no obturation; group II (ZOE) gutta-percha and zinc oxide eugenol sealer; group III (ZOAH) gutta-percha and AH plus sealer; group IV (GF) GuttaFlow; and group V (RE) with Resilon Epiphany system. Dowel spaces were made with manufacturer's provided drills, and a fiber dowel was luted. Horizontal slices were obtained from the middle third, and push-out bond strength (S) was evaluated. Statistical analysis was carried out using one-way ANOVA and post hoc Tukey's test. The push-out bond strength values in the control group, ZOE, ZOAH, GF, and RE were 9.303 ± 0.565 MPa, 8.859 ± 0.539 MPa, 8.356 ± 0.618 MPa, 9.635 ± 0.435 MPa, and 8.572 ± 0.256 MPa, respectively. There was no statistically significant difference between the S values of all the groups (p > 0.05). There was no effect of different tested obturating materials on the push-out bond strength of fiber dowels; however, further studies should be conducted. © 2012 by the American College of Prosthodontists.
Yuan, Xiaohui; Tan, Fei; Xu, Haitao; Zhang, Shaojun; Qu, Fuzhen; Liu, Jie
2017-07-01
The aim of this study is to investigate the effects of different electrolytes on the titanium-porcelain bond strength after micro-arc oxidation (MAO) treatment. Three electrolytes at the same concentration were used as MAO reaction solutions: Na 2 SiO 3 , KF, and MgSiF 6 . Blasting treatment was chosen as a control. After MAO treatment in each electrolyte, the titanium-porcelain bond strengths were measured by the three-point bending test, as described in ISO 9693. The morphologies and elemental compositions of the MAO coating on the titanium substrate were evaluated by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS). The interface between the titanium and porcelain was also observed by SEM and EDS. The MAO coatings created in different electrolytes exhibited completely different morphologies and compositions. The bond strengths of the Na 2 SiO 3 and MgSiF 6 groups were significantly higher than those of the other groups (p<0.05). Additionally, the titanium-porcelain interfaces were compact in the former two groups, whereas pores and cracks were visible at the interfaces in the other groups. These results indicate that MAO treatment with an appropriate electrolyte could be an effective method to increase the titanium-porcelain bonding strength. According to ISO 9693, titanium-porcelain restorations subjected to MAO treatment with an appropriate electrolyte could be appropriate for clinical use. Copyright © 2016 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.
Cow characteristics and their association with udder health after different dry period lengths.
van Hoeij, R J; Lam, T J G M; de Koning, D B; Steeneveld, W; Kemp, B; van Knegsel, A T M
2016-10-01
Shortening or omitting the dry period (DP) in dairy cows is of interest because of potential beneficial effects on energy balance and metabolic health. Reported effects of a short or omitted dry period on udder health are ambiguous. This study aimed to evaluate the effect of no DP (0d), a short DP (30d), or a conventional DP (60 d) on the occurrence of intramammary infections (IMI) during the precalving period and on somatic cell counts (SCC), elevations of SCC (SCC≥200,000 cells/mL), and clinical mastitis in the subsequent lactation. The study also aimed to analyze which prepartum cow characteristics are associated with udder health after different DP lengths. Holstein-Friesian dairy cows (n=167) were randomly assigned to a DP length (0, 30, or 60 d). Cows with a 0-d DP had a greater occurrence of chronic IMI and a lower occurrence of cured IMI during the precalving period than cows with a 30-d or 60-d DP. Postpartum average SCC for lactation was greater in cows with a 0-d DP than in cows with a 30-d or 60-d DP. The number of cows with at least 1 elevation of SCC, the number of elevations of SCC per affected cow, the number of cows treated for clinical mastitis, and the number of cases of mastitis per affected cow did not differ among DP lengths. Cow characteristics related to postpartum average SCC for lactation were DP length, parity, and the following interactions: DP length with prepartum elevation of SCC, DP length with fat- and protein-corrected milk (FPCM) reduction between 150 and 67d prepartum, DP length with parity and with average SCC for lactation, and last FPCM before the conventional drying-off day with average SCC for lactation. Cows with prepartum parity 1 had a lower occurrence of at least 1 elevation of SCC in subsequent lactation compared with cows with parity >2. Last SCC before the conventional drying-off day was positively associated with occurrence of clinical mastitis in the subsequent lactation. In this study, DP length was not a risk
A theoretical perspective of the nature of hydrogen-bond types - the atoms in molecules approach
NASA Astrophysics Data System (ADS)
Vijaya Pandiyan, B.; Kolandaivel, P.; Deepa, P.
2014-06-01
Hydrogen bonds and their strength were analysed based on their X-H proton-donor bond properties and the parameters of the H-Y distance (Y proton acceptor). Strong, moderate and weak interactions in hydrogen-bond types were verified through the proton affinities of bases (PA), deprotanation enthalpies of acids (DPE) and the chemical shift (σ). The aromaticity and anti-aromaticity were analysed by means of the NICS (0) (nucleus-independent chemical shift), NICS (1) and ΔNICS (0), ΔNICS (1) of hydrogen-bonded molecules. The strength of a hydrogen bond depends on the capacity of hydrogen atom engrossing into the electronegative acceptor atom. The correlation between the above parameters and their relations were discussed through curve fitting. Bader's theory of atoms in molecules has been applied to estimate the occurrence of hydrogen bonds through eight criteria reported by Popelier et al. The lengths and potential energy shifts have been found to have a strong negative linear correlation, whereas the lengths and Laplacian shifts have a strong positive linear correlation. This study illustrates the common factors responsible for strong, moderate and weak interactions in hydrogen-bond types.
Sealant Microleakage After Using Nano-Filled Bonding Agents on Saliva-Contaminated Enamel
Paryab, Mehrsa
2013-01-01
Objective: The efficacy of correctly applied fissure sealants has been revealed in the prevention of caries. Saliva and moisture contamination of the etched enamel surface before sealant placement can decrease the bonding strength of the sealant to the enamel. The aim of this study was to test the new bonding agents containing nano-fillers in order to reduce the negative effect of saliva contamination on the sealant micro leakage. Materials and Methods: Seventy five sound human premolars were randomly assigned to five equal groups as follows: Group A: etching, sealant; Group B: etching, saliva contamination, sealant; Group C: etching, saliva contamination, Single bond, sealant; Group D: etching, saliva contamination, Adper Single bond 2, sealant; Group E: etching, saliva contamination, N Bond, sealant. The samples were thermo-cycled and immersed in basic fuchsine 0.5% by weight. Then, the teeth were sectioned bucco-lingually and parallel to the long axis into two segments. Finally, the length of dye penetration at the sealant-tooth interface was scored according to a four-point scale. Results: Micro-leakage was higher in group B compared to the other groups, while there were no differences among the evaluated dentin adhesives. Conclusion: The use of nano-filled bonding agents as an intermediate layer between the etched enamel and the sealant can reduce sealant micro-leakage after saliva contamination at the level of the uncontaminated enamel. PMID:25512749
Zhang, Liqun
2017-04-01
Human defensins are a class of antimicrobial peptides that are crucial components of the innate immune system. Both human α defensin type 5 (HD5) and human β defensin type 3 (hBD-3) have 6 cysteine residues which form 3 pairs of disulfide bonds in oxidizing condition. Disulfide bond linking is important to the protein structure stabilization, and the disulfide bond linking and breaking order have been shown to influence protein function. In this project, microsecond long molecular dynamics simulations were performed to study the structure and dynamics of HD5 and hBD-3 wildtype and analogs which have all 3 disulfide bonds released in reducing condition. The structure of hBD-3 was found to be more dynamic and flexible than HD5, based on RMSD, RMSF, and radius of gyration calculations. The disulfide bridge breaking order of HD5 and hBD-3 in reducing condition was predicted by two kinds of methods, which gave consistent results. It was found that the disulfide bonds breaking pathways for HD5 and hBD-3 are very different. The breaking of disulfide bonds can influence the dimer interface by making the dimer structure less stable for both kinds of defensin. In order to understand the difference in dynamics and disulfide bond breaking pathway, hydrophilic and hydrophobic accessible surface areas (ASA), buried surface area between cysteine pairs, entropy of cysteine pairs, and internal energy were calculated. Comparing to the wildtype, hBD-3 analog is more hydrophobic, while HD5 is more hydrophilic. For hBD-3, the disulfide breaking is mainly entropy driven, while other factors such as the solvation effects may take the major role in controlling HD5 disulfide breaking pathway. Proteins 2017; 85:665-681. © 2016 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Parolia, Abhishek; Kundabala, M; Gupta, Vaibhav; Verma, Mudita; Batra, Chandni; Shenoy, Ramya; Srikant, N
2011-01-01
In an effort to minimize tooth preparation, yet provide additional retention to compromised tooth structure, bonded amalgam restorations were introduced. Various resin-based adhesives have been tried earlier under bonded amalgam restorations. Still there are controversies regarding the outcome of bonded amalgam restorations regarding their adaptability to the tooth structure and microleakage. Therefore, this study was undertaken to compare the microleakage of bonded amalgam restorations using different adhesive materials. Standard Class I cavities were prepared on occlusal surfaces of 60 human molars. Teeth (n=60) were divided into three groups according to the material employed, as follows: group I: amalgam with glass ionomer cement (GIC) (type I); group II: amalgam with resin cement (Panavia F 2.0) and group III: amalgam with Copalex varnish as a control. Following restoration, the teeth were submitted to thermal cycling. The teeth were subsequently immersed in 2% rhodamine B dye under vacuum for 48 hours and sectioned to allow the assessment of microleakage under stereomicroscope. The values were tabulated and the results were statistically analyzed using analysis of variance (ANOVA), Tukey's post hoc test and Kruskal-Wallis test. Amalgam with type I GIC showed the least leakage with no statistically significant difference (P value 0.226) when compared to amalgam with Panavia F 2.0 and amalgam with varnish (P value 0.107). It can be concluded that bonded amalgam with type I GIC is a good alternative to amalgam with resin cement (Panavia F 2.0) and amalgam with varnish for large restorations, with the added advantages of GICs. Bonded amalgam restorations prevent over-preparation and reduce the tooth flexure. GIC type I under amalgam provides chemical bonding in between amalgam and tooth structure and thus reduces the microleakage.
Wei, Wei; Sun, Yang; Zhu, Mingli; Liu, Xiangzhi; Sun, Peiqing; Wang, Feng; Gui, Qiu; Meng, Wuyi; Cao, Yi; Zhao, Jing
2015-12-16
The coordination bond between gold and sulfur (Au-S) has been widely studied and utilized in many fields. However, detailed investigations on the basic nature of this bond are still lacking. A gold-specific binding protein, GolB, was recently identified, providing a unique opportunity for the study of the Au-S bond at the molecular level. We probed the mechanical strength of the gold-sulfur bond in GolB using single-molecule force spectroscopy. We measured the rupture force of the Au-S bond to be 165 pN, much lower than Au-S bonds measured on different gold surfaces (∼1000 pN). We further solved the structures of apo-GolB and Au(I)-GolB complex using X-ray crystallography. These structures showed that the average Au-S bond length in GolB is much longer than the reported average value of Au-S bonds. Our results highlight the dramatic influence of the unique biological environment on the stability and strength of metal coordination bonds in proteins.
Tsukada, Kimiko; Hirata, Yukari; Roengpitya, Rungpat
2014-06-01
The purpose of this research was to compare the perception of Japanese vowel length contrasts by 4 groups of listeners who differed in their familiarity with length contrasts in their first language (L1; i.e., American English, Italian, Japanese, and Thai). Of the 3 nonnative groups, native Thai listeners were expected to outperform American English and Italian listeners, because vowel length is contrastive in their L1. Native Italian listeners were expected to demonstrate a higher level of accuracy for length contrasts than American English listeners, because the former are familiar with consonant (but not vowel) length contrasts (i.e., singleton vs. geminate) in their L1. A 2-alternative forced-choice AXB discrimination test that included 125 trials was administered to all the participants, and the listeners' discrimination accuracy (d') was reported. As expected, Japanese listeners were more accurate than all 3 nonnative groups in their discrimination of Japanese vowel length contrasts. The 3 nonnative groups did not differ from one another in their discrimination accuracy despite varying experience with length contrasts in their L1. Only Thai listeners were more accurate in their length discrimination when the target vowel was long than when it was short. Being familiar with vowel length contrasts in L1 may affect the listeners' cross-language perception, but it does not guarantee that their L1 experience automatically results in efficient processing of length contrasts in unfamiliar languages. The extent of success may be related to how length contrasts are phonetically implemented in listeners' L1.
Bi-directional ultrasonic wave coupling to FBGs in continuously bonded optical fiber sensing.
Wee, Junghyun; Hackney, Drew; Bradford, Philip; Peters, Kara
2017-09-01
Fiber Bragg grating (FBG) sensors are typically spot-bonded onto the surface of a structure to detect ultrasonic waves in laboratory demonstrations. However, to protect the rest of the optical fiber from any environmental damage during real applications, bonding the entire length of fiber, called continuous bonding, is commonly done. In this paper, we investigate the impact of continuously bonding FBGs on the measured Lamb wave signal. In theory, the ultrasonic wave signal can bi-directionally transfer between the optical fiber and the plate at any adhered location, which could potentially produce output signal distortion for the continuous bonding case. Therefore, an experiment is performed to investigate the plate-to-fiber and fiber-to-plate signal transfer, from which the signal coupling coefficient of each case is theoretically estimated based on the experimental data. We demonstrate that the two coupling coefficients are comparable, with the plate-to-fiber case approximately 19% larger than the fiber-to-plate case. Finally, the signal waveform and arrival time of the output FBG responses are compared between the continuous and spot bonding cases. The results indicate that the resulting Lamb wave signal output is only that directly detected at the FBG location; however, a slight difference in signal waveform is observed between the two bonding configurations. This paper demonstrates the practicality of using continuously bonded FBGs for ultrasonic wave detection in structural health monitoring (SHM) applications.
Murgich, Juan; Franco, Héctor J; San-Blas, Gioconda
2006-08-24
The molecular charge distribution of flucytosine (4-amino-5-fluoro-2-pyrimidone), uracil, 5-fluorouracil, and thymine was studied by means of density functional theory calculations (DFT). The resulting distributions were analyzed by means of the atoms in molecules (AIM) theory. Bonds were characterized through vectors formed with the charge density value, its Laplacian, and the bond ellipticity calculated at the bond critical point (BCP). Within each set of C=O, C-H, and N-H bonds, these vectors showed little dispersion. C-C bonds formed three different subsets, one with a significant degree of double bonding, a second corresponding to single bonds with a finite ellipticity produced by hyperconjugation, and a third one formed by a pure single bond. In N-C bonds, a decrease in bond length (an increase in double bond character) was not reflected as an increase in their ellipticity, as in all C-C bonds studied. It was also found that substitution influenced the N-C, C-O, and C-C bond ellipticity much more than density and its Laplacian at the BCP. The Laplacian of charge density pointed to the existence of both bonding and nonbonding maxima in the valence shell charge concentration of N, O, and F, while only bonding ones were found for the C atoms. The nonbonding maxima related to the sites for electrophilic attack and H bonding in O and N, while sites of nucleophilic attack were suggested by the holes in the valence shell of the C atoms of the carbonyl groups.
Tensile Bond Strength of Self Adhesive Resin Cement After Various Surface Treatment of Enamel.
Sekhri, Sahil; Mittal, Sanjeev; Garg, Sandeep
2016-01-01
In self adhesive resin cements adhesion is achieved to dental surface without surface pre-treatment, and requires only single step application. This makes the luting procedure less technique-sensitive and decreases postoperative sensitivity. The purpose of this study was to evaluate bond strength of self adhesive resin after surface treatment of enamel for bonding base metal alloy. On the labial surface of 64 central incisor rectangular base metal block of dimension 6 mm length, 5mm width and 1 mm height was cemented with RelyX U200 and Maxcem Elite self adhesive cements with and without surface treatment of enamel. Surface treatment of enamel was application of etchant, one step bonding agent and both. Tensile bond strength of specimen was measured with universal testing machine at a cross head speed of 1mm/min. Least tensile bond strength (MPa) was in control group i.e. 1.33 (0.32) & 1.59 (0.299), Highest bond strength observed when enamel treated with both etchant and bonding agent i.e. 2.72 (0.43) & 2.97 (0.19) for Relyx U200 and Elite cement. When alone etchant and bonding agent were applied alone bond strength is 2.19 (0.18) & 2.24 (0.47) for Relyx U200, and 2.38 (0.27) 2.49 (0.16) for Max-cem elite. Mean bond strength was higher in case of Max-cem Elite as compared to RelyX U200 resin cement, although differences were non-significant (p > 0.05). Surface treatment of enamel increases the bond strength of self adhesive resin cement.
Yang, Yi; Min, Yujia; Jun, Young-Shin
2013-11-14
A quantitative description of how the bulk properties of aluminosilicates affect their dissolution kinetics is important in helping people understand the regulation of atmospheric CO2 concentration by silicate weathering and predict the fate and transport of geologically sequestered CO2 through brine-rock interactions. In this study, we employed a structure model based on the C1 space group to illustrate how differences in crystallographic properties of aluminosilicates, such as T-O (Tetrahedral site-Oxygen) bond length and Al/Si ordering, can result in quantifiable variations in mineral dissolution rates. The dissolution rates of plagioclases were measured under representative geologic carbon sequestration (GCS) conditions (90 °C, 100 atm of CO2, 1.0 M NaCl, and pH ∼ 3.1), and used to validate the model. We found that the logarithm of the characteristic time of the breakdown of Al-O-Si linkages in plagioclases follows a good linear relation with the mineral's aluminum content (nAl). The Si release rates of plagioclases can be calculated based on an assumption of dissolution congruency or on the regularity of Al/Si distribution in the constituent tetrahedra of the mineral. We further extended the application of our approach to scenarios where dissolution incongruency arises because of different linkage reactivities in the solid matrix, and compared the model predictions with published data. The application of our results enables a significant reduction of experimental work for determining the dissolution rates of structurally related aluminosilicates, given a reaction environment.
Programmable Assembly of Peptide Amphiphile via Noncovalent-to-Covalent Bond Conversion
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sato, Kohei; Ji, Wei; Palmer, Liam C.
Controlling the number of monomers in a supramolecular polymer has been a great challenge in programmable self-assembly of organic molecules. One approach has been to make use of frustrated growth of the supramolecular assembly by tuning the balance of attractive and repulsive intermolecular forces. We report here on the use of covalent bond formation among monomers, compensating for intermolecular electrostatic repulsion, as a mechanism to control the length of a supramolecular nanofiber formed by self-assembly of peptide amphiphiles. Circular dichroism spectroscopy in combination with dynamic light scattering, size-exclusion chromatography, and transmittance electron microscope analyses revealed that hydrogen bonds between peptidesmore » were reinforced by covalent bond formation, enabling the fiber elongation. To examine these materials for their potential biomedical applications, cytotoxicity of nanofibers against C2C12 premyoblast cells was tested. We demonstrated that cell viability increased with an increase in fiber length, presumably because of the suppressed disruption of cell membranes by the fiber end-caps.« less
Programmable Assembly of Peptide Amphiphile via Noncovalent-to-Covalent Bond Conversion
Sato, Kohei; Ji, Wei; Palmer, Liam C.; ...
2017-06-22
Controlling the number of monomers in a supramolecular polymer has been a great challenge in programmable self-assembly of organic molecules. One approach has been to make use of frustrated growth of the supramolecular assembly by tuning the balance of attractive and repulsive intermolecular forces. We report here on the use of covalent bond formation among monomers, compensating for intermolecular electrostatic repulsion, as a mechanism to control the length of a supramolecular nanofiber formed by self-assembly of peptide amphiphiles. Circular dichroism spectroscopy in combination with dynamic light scattering, size-exclusion chromatography, and transmittance electron microscope analyses revealed that hydrogen bonds between peptidesmore » were reinforced by covalent bond formation, enabling the fiber elongation. To examine these materials for their potential biomedical applications, cytotoxicity of nanofibers against C2C12 premyoblast cells was tested. We demonstrated that cell viability increased with an increase in fiber length, presumably because of the suppressed disruption of cell membranes by the fiber end-caps.« less
The Effect of Different Soft Drinks on the Shear Bond Strength of Orthodontic Brackets
Omid Khoda, M.; Heravi, F.; Shafaee, H.; Mollahassani, H.
2012-01-01
Objective: It is proved that acidic soft drinks that are commonly used, have an adverse effect on dental structures, and may deteriorate oral heath of our patients and orthodontic appliances. The aim of this study was to compare the effect of yoghurt drink with other soft drinks on the shear bond strength of orthodontic brackets. Materials and Methods: Seventy-five first premolar teeth extracted for orthodontic purposes were selected and standard twin metal brackets were bonded on the center of buccal surface with No-Mix composite. The teeth were thermocycled for 625 cycles and randomly divided into five groups of artificial saliva, carbonated yoghurt drink with lactic acid base, non-carbonated yoghurt drink with lactic acid base, 7 up with citric acid base and Pepsi with phosphoric acid base. In all groups, the teeth were immersed in liquid for five-minute sessions three times with equal intervening intervals for 3 months. SBS was measured by a universal testing machine with a speed of 0.5mm/min. Data was analyzed statistically by one-way ANOVA. Results: The results showed that mean values for the shear bond strength of carbonated yoghurt drinks, non-carbonated yoghurt drinks, 7up and Pepsi groups were 12.98(±2.95), 13.26(±4.00), 16.11(±4.89), 14.73(±5.10), respectively. There was no statistically significant difference among the groups (P-value= 0.238) Conclusion: Soft drinks used in this study did not decrease the bond strength of the brackets bonded with this specific type of composite. PMID:23066479
The effect of different soft drinks on the shear bond strength of orthodontic brackets.
Omid Khoda, M; Heravi, F; Shafaee, H; Mollahassani, H
2012-01-01
It is proved that acidic soft drinks that are commonly used, have an adverse effect on dental structures, and may deteriorate oral heath of our patients and orthodontic appliances. The aim of this study was to compare the effect of yoghurt drink with other soft drinks on the shear bond strength of orthodontic brackets. Seventy-five first premolar teeth extracted for orthodontic purposes were selected and standard twin metal brackets were bonded on the center of buccal surface with No-Mix composite. The teeth were thermocycled for 625 cycles and randomly divided into five groups of artificial saliva, carbonated yoghurt drink with lactic acid base, non-carbonated yoghurt drink with lactic acid base, 7 up with citric acid base and Pepsi with phosphoric acid base. In all groups, the teeth were immersed in liquid for five-minute sessions three times with equal intervening intervals for 3 months. SBS was measured by a universal testing machine with a speed of 0.5mm/min. Data was analyzed statistically by one-way ANOVA. The results showed that mean values for the shear bond strength of carbonated yoghurt drinks, non-carbonated yoghurt drinks, 7up and Pepsi groups were 12.98(±2.95), 13.26(±4.00), 16.11(±4.89), 14.73(±5.10), respectively. There was no statistically significant difference among the groups (P-value= 0.238) Soft drinks used in this study did not decrease the bond strength of the brackets bonded with this specific type of composite.
Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide Chains
Daidone, Isabella; Neuweiler, Hannes; Doose, Sören; Sauer, Markus; Smith, Jeremy C.
2010-01-01
Characterization of the length dependence of end-to-end loop-closure kinetics in unfolded polypeptide chains provides an understanding of early steps in protein folding. Here, loop-closure in poly-glycine-serine peptides is investigated by combining single-molecule fluorescence spectroscopy with molecular dynamics simulation. For chains containing more than 10 peptide bonds loop-closing rate constants on the 20–100 nanosecond time range exhibit a power-law length dependence. However, this scaling breaks down for shorter peptides, which exhibit slower kinetics arising from a perturbation induced by the dye reporter system used in the experimental setup. The loop-closure kinetics in the longer peptides is found to be determined by the formation of intra-peptide hydrogen bonds and transient β-sheet structure, that accelerate the search for contacts among residues distant in sequence relative to the case of a polypeptide chain in which hydrogen bonds cannot form. Hydrogen-bond-driven polypeptide-chain collapse in unfolded peptides under physiological conditions found here is not only consistent with hierarchical models of protein folding, that highlights the importance of secondary structure formation early in the folding process, but is also shown to speed up the search for productive folding events. PMID:20098498
Modeling single molecule junction mechanics as a probe of interface bonding
NASA Astrophysics Data System (ADS)
Hybertsen, Mark S.
2017-03-01
Using the atomic force microscope based break junction approach, applicable to metal point contacts and single molecule junctions, measurements can be repeated thousands of times resulting in rich data sets characterizing the properties of an ensemble of nanoscale junction structures. This paper focuses on the relationship between the measured force extension characteristics including bond rupture and the properties of the interface bonds in the junction. A set of exemplary model junction structures has been analyzed using density functional theory based calculations to simulate the adiabatic potential surface that governs the junction elongation. The junction structures include representative molecules that bond to the electrodes through amine, methylsulfide, and pyridine links. The force extension characteristics are shown to be most effectively analyzed in a scaled form with maximum sustainable force and the distance between the force zero and force maximum as scale factors. Widely used, two parameter models for chemical bond potential energy versus bond length are found to be nearly identical in scaled form. Furthermore, they fit well to the present calculations of N-Au and S-Au donor-acceptor bonds, provided no other degrees of freedom are allowed to relax. Examination of the reduced problem of a single interface, but including relaxation of atoms proximal to the interface bond, shows that a single-bond potential form renormalized by an effective harmonic potential in series fits well to the calculated results. This allows relatively accurate extraction of the interface bond energy. Analysis of full junction models shows cooperative effects that go beyond the mechanical series inclusion of the second bond in the junction, the spectator bond that does not rupture. Calculations for a series of diaminoalkanes as a function of molecule length indicate that the most important cooperative effect is due to the interactions between the dipoles induced by the donor
Modeling single molecule junction mechanics as a probe of interface bonding
Hybertsen, Mark S.
2017-03-07
Using the atomic force microscope based break junction approach, applicable to metal point contacts and single molecule junctions, measurements can be repeated thousands of times resulting in rich data sets characterizing the properties of an ensemble of nanoscale junction structures. This paper focuses on the relationship between the measured force extension characteristics including bond rupture and the properties of the interface bonds in the junction. We analyzed a set of exemplary model junction structures using density functional theory based calculations to simulate the adiabatic potential surface that governs the junction elongation. The junction structures include representative molecules that bond tomore » the electrodes through amine, methylsulfide, and pyridine links. The force extension characteristics are shown to be most effectively analyzed in a scaled form with maximum sustainable force and the distance between the force zero and force maximum as scale factors. Widely used, two parameter models for chemical bond potential energy versus bond length are found to be nearly identical in scaled form. Furthermore, they fit well to the present calculations of N–Au and S–Au donor-acceptor bonds, provided no other degrees of freedom are allowed to relax. Examination of the reduced problem of a single interface, but including relaxation of atoms proximal to the interface bond, shows that a single-bond potential form renormalized by an effective harmonic potential in series fits well to the calculated results. This, then, allows relatively accurate extraction of the interface bond energy. Analysis of full junction models shows cooperative effects that go beyond the mechanical series inclusion of the second bond in the junction, the spectator bond that does not rupture. Calculations for a series of diaminoalkanes as a function of molecule length indicate that the most important cooperative effect is due to the interactions between the dipoles induced by
Modeling single molecule junction mechanics as a probe of interface bonding
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hybertsen, Mark S.
Using the atomic force microscope based break junction approach, applicable to metal point contacts and single molecule junctions, measurements can be repeated thousands of times resulting in rich data sets characterizing the properties of an ensemble of nanoscale junction structures. This paper focuses on the relationship between the measured force extension characteristics including bond rupture and the properties of the interface bonds in the junction. We analyzed a set of exemplary model junction structures using density functional theory based calculations to simulate the adiabatic potential surface that governs the junction elongation. The junction structures include representative molecules that bond tomore » the electrodes through amine, methylsulfide, and pyridine links. The force extension characteristics are shown to be most effectively analyzed in a scaled form with maximum sustainable force and the distance between the force zero and force maximum as scale factors. Widely used, two parameter models for chemical bond potential energy versus bond length are found to be nearly identical in scaled form. Furthermore, they fit well to the present calculations of N–Au and S–Au donor-acceptor bonds, provided no other degrees of freedom are allowed to relax. Examination of the reduced problem of a single interface, but including relaxation of atoms proximal to the interface bond, shows that a single-bond potential form renormalized by an effective harmonic potential in series fits well to the calculated results. This, then, allows relatively accurate extraction of the interface bond energy. Analysis of full junction models shows cooperative effects that go beyond the mechanical series inclusion of the second bond in the junction, the spectator bond that does not rupture. Calculations for a series of diaminoalkanes as a function of molecule length indicate that the most important cooperative effect is due to the interactions between the dipoles induced by
NASA Astrophysics Data System (ADS)
Kudtarkar, Santosh Anil
structures on 90 nm silicon technology, bonding wires with different percentage of doping element (palladium), and different levels of bonding process parameters. An empirical model to understand the high temperature effects for bonds formed using the low diameter wire was also developed.
Yenisey, Murat; Dede, Doğu Ömür; Rona, Nergiz
2016-01-01
This study investigated the effects of surface treatments on bond strength between resin cement and differently sintered zirconium-oxide ceramics. 220 zirconium-oxide ceramic (Ceramill ZI) specimens were prepared, sintered in two different period (Short=Ss, Long=Ls) and divided into ten treatment groups as: GC, no treatment; GSil, silanized (ESPE-Sil); GSilPen, silane flame treatment (Silano-Pen); GSb, sandblasted; GSbSil, sandblasted+silanized; GSbCoSil, sandblasted+silica coated (CoJet)+silanized; GSbRoSil, sandblasted+silica coated (Rocatech-Plus)+silanized; GSbDSil, sandblasted+diamond particle abraded (Micron MDA)+silanized; GSbSilPen, sandblasted+silane flame treatment+silanized; GSbLSil, sandblasted+Er:Yag (Asclepion-MCL30) laser treated+silanized. The composite resin (Filtek Z-250) cylinders were cemented to the treated ceramic surfaces with a resin cement (Panavia F2.0). Shear bond strength test was performed after specimens were stored in water for 24h and thermo-cycled for 6000 cycles (5-55 °C). Data were statistically analyzed with two-way analysis of variance (ANOVA) and Tamhane's multiple comparison test (α=0.05). According to the ANOVA, sintering time, surface treatments and their interaction were statistically significant (p<0.05). The highest bond strengths were obtained in GSbCoSil (Ss=13.36/Ls=11.19MPa) and lowest values were obtained in GC (Ss=4.70/Ls=4.62 MPa) for both sinter groups. Sintering time may be effective on the bond strength and 30 μm silica coating (Cojet) with silane coupling application technique increased the bond strength between resin cement and differently sintered zirconium-oxide ceramics. Copyright © 2015 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.
Sauro, Salvatore; Toledano, Manuel; Aguilera, Fatima Sánchez; Mannocci, Francesco; Pashley, David H; Tay, Franklin R; Watson, Timothy F; Osorio, Raquel
2011-06-01
To compare microtensile bond strengths (MTBS) subsequent to load cycling of resin bonded acid-etched or EDTA-treated dentin using a modified ethanol wet-bonding technique. Flat dentin surfaces were obtained from extracted human molars and conditioned using 37% H(3)PO(4) (PA) (15s) or 0.1M EDTA (60s). Five experimental adhesives and one commercial bonding agent were applied to the dentin and light-cured. Solvated experimental resins (50% ethanol/50% comonomers) were used as primers and their respective neat resins were used as the adhesives. The resin-bonded teeth were stored in distilled water (24h) or submitted to 5000 loading cycles of 90N. The bonded teeth were then sectioned in beams for MTBS. Modes of failure were examined by scanning electron microscopy. The most hydrophobic resin 1 gave the lowest bond strength values to both acid and EDTA-treated dentin. The hydrophobic resin 2 applied to EDTA-treated dentin showed lower bond strengths after cycling load but this did not occur when it was bonded to PA-etched dentin. Resins 3 and 4, which contained hydrophilic monomers, gave higher bond strengths to both EDTA-treated or acid-etched dentin and showed no significant difference after load cycling. The most hydrophilic resin 5 showed no significant difference in bond strengths after cycling loading when bonded to EDTA or phosphoric acid treated dentin but exhibited low bond strengths. The presence of different functional monomers influences the MTBS of the adhesive systems when submitted to cyclic loads. Adhesives containing hydrophilic comonomers are not affected by cycling load challenge especially when applied on EDTA-treated dentin followed by ethanol wet bonding. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
Stevens, Joanna S; Gainar, Adrian; Suljoti, Edlira; Xiao, Jie; Golnak, Ronny; Aziz, Emad F; Schroeder, Sven L M
2015-05-04
Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO-LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs and σ* shape resonances in the NEXAFS spectra. This provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute-solvent interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Stevens, Joanna S.; Gainar, Adrian; Suljoti, Edlira; ...
2015-03-18
Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO–LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs andmore » σ* shape resonances in the NEXAFS spectra. Finally, this provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute–solvent interactions.« less
Wang, Hongmei; Feng, Qing; Li, Ning; Xu, Sheng
2016-12-01
Limited information is available regarding the metal-ceramic bond strength of dental Co-Cr alloys fabricated by casting (CAST), computer numerical control (CNC) milling, and selective laser melting (SLM). The purpose of this in vitro study was to evaluate the metal-ceramic bond characteristics of 3 dental Co-Cr alloys fabricated by casting, computer numerical control milling, and selective laser melting techniques using the 3-point bend test (International Organization for Standardization [ISO] standard 9693). Forty-five specimens (25×3×0.5 mm) made of dental Co-Cr alloys were prepared by CAST, CNC milling, and SLM techniques. The morphology of the oxidation surface of metal specimens was evaluated by scanning electron microscopy (SEM). After porcelain application, the interfacial characterization was evaluated by SEM equipped with energy-dispersive spectrometry (EDS) analysis, and the metal-ceramic bond strength was assessed with the 3-point bend test. Failure type and elemental composition on the debonding interface were assessed by SEM/EDS. The bond strength was statistically analyzed by 1-way ANOVA and Tukey honest significant difference test (α=.05). The oxidation surfaces of the CAST, CNC, and SLM groups were different. They were porous in the CAST group but compact and irregular in the CNC and SLM groups. The metal-ceramic interfaces of the SLM and CNC groups showed excellent combination compared with those of the CAST group. The bond strength was 37.7 ±6.5 MPa for CAST, 43.3 ±9.2 MPa for CNC, and 46.8 ±5.1 MPa for the SLM group. Statistically significant differences were found among the 3 groups tested (P=.028). The debonding surfaces of all specimens exhibited cohesive failure mode. The oxidation surface morphologies and thicknesses of dental Co-Cr alloys are dependent on the different fabrication techniques used. The bond strength of all 3 groups exceed the minimum acceptable value of 25 MPa recommended by ISO 9693; hence, dental Co-Cr alloy
Composite bonding to stainless steel crowns using a new universal bonding and single-bottle systems.
Hattan, Mohammad Ali; Pani, Sharat Chandra; Alomari, Mohammad
2013-01-01
Aim. The aim of this study is to evaluate the shear bond strength of nanocomposite to stainless steel crowns using a new universal bonding system. Material and Methods. Eighty (80) stainless steel crowns (SSCs) were divided into four groups (20 each). Packable nanocomposite was bonded to the lingual surface of the crowns in the following methods: Group A without adhesive (control group), Group B using a new universal adhesive system (Scotchbond Universal Adhesive, 3M ESPE, Seefeld, Germany), and Group C and Group D using two different brands of single-bottle adhesive systems. Shear bond strengths were calculated and the types of failure also were recorded. Results. The shear strength of Group B was significantly greater than that of other groups. No significant differences were found between the shear bond strengths of Groups C and D. The control group had significantly lower shear bond strength (P < 0.05) to composite than the groups that utilized bonding agents. Conclusion. Composites bonding to stainless steel crowns using the new universal bonding agent (Scotchbond Universal Adhesive, 3M ESPE, Seefeld, Germany) show significantly greater shear bond strengths and fewer adhesive failures when compared to traditional single-bottle systems.
Fulfer, K D; Kuroda, D G
2017-09-20
The structure and dynamics of electrolytes composed of lithium hexafluorophosphate (LiPF 6 ) in dimethyl carbonate, ethyl methyl carbonate, and diethyl carbonate were investigated using a combination of linear and two-dimensional infrared spectroscopies. The solutions studied here have a LiPF 6 concentration of X(LiPF 6 ) = 0.09, which is typically found in commercial lithium ion batteries. This study focuses on comparing the differences in the solvation shell structure and dynamics produced by linear organic carbonates of different alkyl chain lengths. The IR experiments show that either linear carbonate forms a tetrahedral solvation shell (coordination number of 4) around the lithium ion irrespective of whether the solvation shell has anions in close proximity to the carbonates. Moreover, analysis of the absorption cross sections via FTIR and DFT computations reveals a distortion in the angle formed by Li + -O[double bond, length as m-dash]C which decreases from the expected 180° when the alkyl chains of the carbonate are lengthened. In addition, our findings also reveal that, likely due to its asymmetric structure, ethyl methyl carbonate has a significantly more distorted tetrahedral lithium ion solvation shell than either of the other two investigated carbonates. IR photon echo studies further demonstrate that the motions of the solvation shell have a time scale of a few picoseconds for all three linear carbonates. Interestingly, a slowdown of the in place-motions of the first solvation shell is observed when the carbonate has a longer alkyl chain length irrespective of the symmetry. In addition, vibrational energy transfer with a time scale of tens of picoseconds is observed between strongly coupled modes arising from the solvation shell structure of the Li + which corroborates the modeling of these solvation shells in terms of highly coupled vibrational states. Results of this study provide new insights into the molecular structure and dynamics of the
Wu, Hai-miao; Zhao, Bin-jiao; Chen, Dong
2015-06-01
To compare the shear bond strength (SBS) of rebonded orthodontic metal brackets with different resin removal methods. Forty extracted premolars were chosen as samples and divided into 4 experimental groups. The teeth were bonded with brackets. The brackets from 3 groups were debonded while adhesive remnants were removed from bracket bases by methods of grinding, sandblasting, and direct flaming, respectively and then rebonded. The SBS values of all rebonded brackets were determined after pH cycling experiment for 30 days. Some rebonded bracket bases were selected and observed under scanning electron microscope (SEM). The data was analyzed by one-way ANOVA test using SPSS 13.0 software package. Statistical analysis revealed a significant difference of SBS values among the 4 experimental groups (P<0.05). The SBS values of the group by direct flaming was significantly lower compared to the other groups (P<0.05). There was no significant difference of SBS values among the other groups. The rebonded brackets after resin removal by grinding and sandblasting have a similar SBS compared to the initial brackets adhesive.
Weak hydrogen bonds in complexes pairing monohalomethanes with neutral formic acid
NASA Astrophysics Data System (ADS)
Solimannejad, Mohammad; Scheiner, Steve
2006-06-01
Ab initio calculations are used to analyze the interaction between formic acid and CH 3X, for X equal to each of F, Cl, and Br. All minima are cyclic in that they contain more than one H-bond. The most strongly bound contain a OH⋯X bond, along with CH⋯O, and the others contain CH⋯X and CH⋯O interactions. Alterations of the covalent bond lengths within each subunit, and vibrational frequency shifts, coupled with electronic charge shifts, reveal fundamental features of these complexes, and the nature of the interactions. The OH⋯X bond is the strongest of those examined here, followed by CH⋯X and CH⋯O.
Verma, Diksha; Taneja, Sonali; Kumari, Manju
2018-01-01
Aim: This study aims to evaluate and compare the efficacy of various irrigation regimens on push-out bond strength of AH Plus/gutta-percha, Real Seal/Resilon, and MetaSeal/gutta-percha at three different root levels. Materials and Methods: Single-rooted mandibular premolars (n = 120) were prepared and divided into four groups (n = 30) based on irrigation regimen used: I: 5.25% sodium hypochlorite (NaOCl)-17% ethylenediaminetetraacetic acid (EDTA); II: 5.25% NaOCl-2.25% Peracetic acid (PAA); III: 5.25% NaOCl-18% 1-hydroxyethylidene-1, 1-bisphosphonate (HEBP) (Etidronic Acid); and IV: Distilled Water. Each group was further divided into three subgroups (n = 10); A: AH Plus/gutta-percha; B: MetaSEAL/gutta-percha; C: RealSeal/Resilon. After obturation, roots were sectioned at 3 levels and push-out tests were performed. One-way ANOVA with post hoc Tukey-honestly significant difference tests were applied to assess the significance among various groups. Results: Among irrigants, 2.25% PAA showed significantly lower values when compared with rest of the irrigants. There was no significant difference found among EDTA and HEBP. The push-out bond strength of AH Plus was significantly higher among all sealers. The bond strength values were significantly decreased in apico-coronal direction. Conclusions: There was superior efficacy of EDTA and HEBP on the bond strength of AH Plus at apical root level when compared with other irrigants and sealers at various root levels. PMID:29674811
Verma, Diksha; Taneja, Sonali; Kumari, Manju
2018-01-01
This study aims to evaluate and compare the efficacy of various irrigation regimens on push-out bond strength of AH Plus/gutta-percha, Real Seal/Resilon, and MetaSeal/gutta-percha at three different root levels. Single-rooted mandibular premolars ( n = 120) were prepared and divided into four groups ( n = 30) based on irrigation regimen used: I: 5.25% sodium hypochlorite (NaOCl)-17% ethylenediaminetetraacetic acid (EDTA); II: 5.25% NaOCl-2.25% Peracetic acid (PAA); III: 5.25% NaOCl-18% 1-hydroxyethylidene-1, 1-bisphosphonate (HEBP) (Etidronic Acid); and IV: Distilled Water. Each group was further divided into three subgroups ( n = 10); A: AH Plus/gutta-percha; B: MetaSEAL/gutta-percha; C: RealSeal/Resilon. After obturation, roots were sectioned at 3 levels and push-out tests were performed. One-way ANOVA with post hoc Tukey-honestly significant difference tests were applied to assess the significance among various groups. Among irrigants, 2.25% PAA showed significantly lower values when compared with rest of the irrigants. There was no significant difference found among EDTA and HEBP. The push-out bond strength of AH Plus was significantly higher among all sealers. The bond strength values were significantly decreased in apico-coronal direction. There was superior efficacy of EDTA and HEBP on the bond strength of AH Plus at apical root level when compared with other irrigants and sealers at various root levels.
Panigrahi, Antarmayee; Srilatha, K T; Panigrahi, Rajat G; Mohanty, Susant; Bhuyan, Sanat K; Bardhan, Debojyoti
2015-07-01
Contamination of etched enamel with saliva has been shown to result in sealant failure. Recently, a hydrophilic sealant has been introduced. In absence of documented literature, this in vitro study was undertaken to ascertain the efficacy of Embrace Wet Bond without reduction of microtensile bond strength in the different moisture contamination. A 5mm block of sealant were built over prepared occlusal surface of 40 non-carious therapeutically extracted third molars which were sectioned into 1mm thick stick and tested using Zwick micro tensile tester. Obtained data were subjected to descriptive analysis, one-way ANOVA and Scheffe's post-hoc tests. Mean microtensile bond strength of Embrace sealant was not significantly lowered in different moisture contamination groups except Group 3 (air drying), which showed very highly significant (p<0.001) decrease in μTBS as compared to Group 1 (non-contaminated). Mean μTBS of Embrace sealant remains largely unchanged even in presence of moisture. Owing to its hydrophilic property, this sealant can be a great help in cases where maintaining isolation is difficult.
Patil, Narendra P; Dandekar, Minal; Nadiger, Ramesh K; Guttal, Satyabodh S
2010-09-01
The aim of this study was to evaluate the shear bond strength of porcelain to laser welded titanium surface and to determine the mode of bond failure through scanning electron microscopy (SEM) and energy dispersive spectrophotometry (EDS). Forty five cast rectangular titanium specimens with the dimension of 10 mm x 8 mm x 1 mm were tested. Thirty specimens had a perforation of 2 mm diameter in the centre. These were randomly divided into Group A and B. The perforations in the Group B specimens were repaired by laser welding using Cp Grade II titanium wire. The remaining 15 specimens were taken as control group. All the test specimens were layered with low fusing porcelain and tested for shear bond strength. The debonded specimens were subjected to SEM and EDS. Data were analysed with 1-way analysis of variance and Student's t-test for comparison among the different groups. One-way analysis of variance (ANOVA) showed no statistically significant difference in shear bond strength values at a 5% level of confidence. The mean shear bond strength values for control group, Group A and B was 8.4 +/- 0.5 Mpa, 8.1 +/- 0.4 Mpa and 8.3 +/- 0.3 Mpa respectively. SEM/EDS analysis of the specimens showed mixed and cohesive type of bond failure. Within the limitations of the study laser welding did not have any effect on the shear bond strength of porcelain bonded to titanium.
Control of scavenger receptor-mediated endocytosis by novel ligands of different length.
Guaderrama-Díaz, Margarita; Solís, Carlos F; Velasco-Loyden, Gabriela; Laclette, Juan P; Mas-Oliva, Jaime
2005-03-01
The scavenger receptor recognized as a multiligand family of receptors falls in the group that is internalised through endocytosis. In this report we used several recombinant fragments of the tapeworm protein paramyosin, known to form filamentous dimers that bind collagenous structures as ligands of different length for the class A type I scavenger receptor (SR-AI). While native CHO cells are unresponsive to any of the recombinant fragments, it is shown that CHO cells transfected with this receptor efficiently internalise recombinant fragments that correspond to two thirds of the full-length paramyosin. In contrast, recombinant products corresponding to one-third of the full-length paramyiosin are not internalised. It is also shown that important molecules in the organization of the coated pit, are enriched when the two-thirds long paramyosin fragments were bound and internalised through the SR-AI. Moreover, internalisation of these fragments trigger a classical apoptotic pathway shown by the presence of TUNEL positive cells and the appearance of apoptotic bodies. We report paramyosin as a new ligand for the scavenger receptor and provide evidence supporting the notion that these receptors upon the formation of arrays with length-specific molecules, not only trigger endocytosis but also seem to regulate the synthesis of molecules involved in the organization of coated pits.
The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study.
Rosenberg, Robert E
2018-05-10
Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is critical to understand the strengths of hydrogen bonds involving fluorine. There are only a few published examples of the strengths of these bonds. This study provides a high level ab initio study of inter- and intramolecular hydrogen bonds between RF and R'OH, where R and R' are aryl, vinyl, alkyl, and cycloalkyl. Intermolecular binding energies average near 5 kcal/mol, while intramolecular binding energies average about 3 kcal/mol. Inclusion of zero-point energies and applying a counterpoise correction lessen the difference. In both series, modest increases in binding energies are seen with increased acidity of R'OH and increased electron donation of R in RF. In the intramolecular compounds, binding energy increases with the rigidity of the F-(C) n -OH ring. Inclusion of free energy corrections at 298 K results in exoergic binding energies for the intramolecular compounds and endoergic binding energies for the intermolecular compounds. Parameters such as bond lengths, vibrational frequencies, and atomic populations are consistent with formation of a hydrogen bond and with slightly stronger binding in the intermolecular cases over the intramolecular cases. However, these parameters correlated poorly with binding energies.
Novais, Veridiana Resende; Raposo, Luís Henrique Araújo; Miranda, Rafael Resende de; Lopes, Camila de Carvalho Almança; Simamoto, Paulo Cézar; Soares, Carlos José
2017-01-01
The aim of this study was to assess the performance of resin cements when different curing modes are used, by evaluating the degree of conversion and bond strength to a ceramic substrate. Three resin cements were evaluated, two dual-cured (Variolink II and RelyX ARC) and one light-cured (Variolink Veneer). The dual-cured resin cements were tested by using the dual activation mode (base and catalyst) and light-activation mode (base paste only). For degree of conversion (DC) (n=5), a 1.0 mm thick feldspathic ceramic disc was placed over the resin cement specimens and the set was light activated with a QTH unit. After 24 h storage, the DC was measured with Fourier transform infrared spectroscopy (FTIR). For microshear bond strength testing, five feldspathic ceramic discs were submitted to surface treatment, and three cylindrical resin cement specimens were bonded to each ceramic surface according to the experimental groups. After 24 h, microshear bond testing was performed at 0.5 mm/min crosshead speed until the failure. Data were submitted to one-way ANOVA followed by Tukey test (p<0.05). Scanning electron microscopy (SEM) was used for classifying the failure modes. Higher DC and bond strength values were shown by the resin cements cured by using the dual activation mode. The Variolink II group presented higher DC and bond strength values when using light-activation only when compared with the Variolink Veneer group. The base paste of dual-cured resin cements in light-activation mode can be used for bonding translucent ceramic restorations of up to or less than 1.0 mm thick.
Effect of Bonding Agent Application Method on Titanium-Ceramic Bond Strength.
Curtis, Joseph G; Dossett, Jon; Prihoda, Thomas J; Teixeira, Erica C
2015-07-01
Although milled titanium may be used as a substructure in fixed and implant prosthodontics, the application of the veneering porcelain presents particular challenges compared to traditional alloys. To address these challenges, some Ti ceramic systems incorporate the application of a bonding agent prior to the opaque layer. Vita Titankeramik's bonding agent is available as a powder, paste, and spray-on formulation. We examined the effect of these three application methods on the bond strength. Four titanium bars were milled from each of 11 wafers cut from grade II Ti using the Kavo Everest milling unit and a custom-designed milling toolpath. An experienced technician prepared the 25 × 3 × 0.5 mm(3) metal bars and applied bonding agent using one of three application methods, and then applied opaque, dentin, and enamel porcelains according to manufacturer's instructions to a 8 × 3 × 1 mm(3) porcelain. A control group received no bonding agent prior to porcelain application. The four groups (n = 11) were blindly tested for differences in bond strength using a universal testing machine in a three-point bend test configuration, based on ISO 9693-1:2012. The average (SD) bond strengths for the control, powder, paste, and spray-on groups, respectively, were: 24.8 (2.6), 24.6 (2.6), 25.3 (4.0), and 24.1 (3.9) MPa. One-way ANOVA and Tukey's multiple comparison tests were performed between all groups. There were no statistically significant differences among groups (p = 0.951). Titanium-porcelain bond strength was not affected by the use of a bonding agent or its application method when tested by ISO 9693-1 standard. © 2014 by the American College of Prosthodontists.
Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective
Wolters, Lando P; Bickelhaupt, F Matthias
2012-01-01
We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A− and the analogous hydrogen-bonded complexes DH⋅⋅⋅A− (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stability can be inferred over a large range of systems. The main objective was to achieve a detailed understanding of the nature of halogen bonds, how they resemble, and also how they differ from, the better understood hydrogen bonds. Thus, we present an accurate physical model of the halogen bond based on quantitative Kohn–Sham molecular orbital (MO) theory, energy decomposition analyses (EDA) and Voronoi deformation density (VDD) analyses of the charge distribution. It appears that the halogen bond in DX⋅⋅⋅A− arises not only from classical electrostatic attraction but also receives substantial stabilization from HOMO–LUMO interactions between the lone pair of A− and the σ* orbital of D–X. PMID:24551497
Moisture effect on interfacial integrity of epoxy-bonded system: a hierarchical approach
NASA Astrophysics Data System (ADS)
Tam, Lik-ho; Lun Chow, Cheuk; Lau, Denvid
2018-01-01
The epoxy-bonded system has been widely used in various applications across different scale lengths. Prior investigations have indicated that the moisture-affected interfacial debonding is the major failure mode of such a system, but the fundamental mechanism remains unknown, such as the basis for the invasion of water molecules in the cross-linked epoxy and the epoxy-bonded interface. This prevents us from predicting the long-term performance of the epoxy-related applications under the effect of the moisture. Here, we use full atomistic models to investigate the response of the epoxy-bonded system towards the adhesion test, and provide a detailed analysis of the interfacial integrity under the moisture effect and the associated debonding mechanism. Molecular dynamics simulations show that water molecules affect the hierarchical structure of the epoxy-bonded system at the nanoscale by disrupting the film-substrate interaction and the molecular interaction within the epoxy, which leads to the detachment of the epoxy thin film, and the final interfacial debonding. The simulation results show good agreement with the experimental results of the epoxy-bonded system. Through identifying the relationship between the epoxy structure and the debonding mechanism at multiple scales, it is shown that the hierarchical structure of the epoxy-bonded system is crucial for the interfacial integrity. In particular, the available space of the epoxy-bonded system, which consists of various sizes ranging from the atomistic scale to the macroscale and is close to the interface facilitates the moisture accumulation, leading to a distinct interfacial debonding when compared to the dry scenario.
Hafezi, Mohammad-Javad; Sharif, Farhad
2015-11-01
Study on the effect of amphiphilic copolymers structure on their self assembly is an interesting subject, with important applications in the area of drug delivery and biological system treatments. Brownian dynamics simulations were performed to study self-assembly of the linear amphiphilic block copolymers with the same hydrophilic head, but hydrophobic tails of different lengths. Critical micelle concentration (CMC), gyration radius distribution, micelle size distribution, density profiles of micelles, shape anisotropy, and dynamics of micellization were investigated as a function of tail length. Simulation results were compared with predictions from theory and simulation for mixed systems of block copolymers with long and short hydrophobic tail, reported in our previous work. Interestingly, the equilibrium structural and dynamic parameters of pure and mixed block copolymers were similarly dependant on the intrinsic/apparent hydrophobic block length. Log (CMC) was, however; proportional to the tail length and had a different behavior compared to the mixed system. The power law scaling relation of equilibrium structural parameters for amphiphilic block copolymers predicts the same dependence for similar hydrophobic tail lengths, but the power law prediction of CMC is different, which is due to its simplifying assumptions as discussed here. Copyright © 2015 Elsevier Inc. All rights reserved.
Tensile Bond Strength of Self Adhesive Resin Cement After Various Surface Treatment of Enamel
Sekhri, Sahil; Garg, Sandeep
2016-01-01
Introduction In self adhesive resin cements adhesion is achieved to dental surface without surface pre-treatment, and requires only single step application. This makes the luting procedure less technique-sensitive and decreases postoperative sensitivity. Aim The purpose of this study was to evaluate bond strength of self adhesive resin after surface treatment of enamel for bonding base metal alloy. Materials and Methods On the labial surface of 64 central incisor rectangular base metal block of dimension 6 mm length, 5mm width and 1 mm height was cemented with RelyX U200 and Maxcem Elite self adhesive cements with and without surface treatment of enamel. Surface treatment of enamel was application of etchant, one step bonding agent and both. Tensile bond strength of specimen was measured with universal testing machine at a cross head speed of 1mm/min. Results Least tensile bond strength (MPa) was in control group i.e. 1.33 (0.32) & 1.59 (0.299), Highest bond strength observed when enamel treated with both etchant and bonding agent i.e. 2.72 (0.43) & 2.97 (0.19) for Relyx U200 and Elite cement. When alone etchant and bonding agent were applied alone bond strength is 2.19 (0.18) & 2.24 (0.47) for Relyx U200, and 2.38 (0.27) 2.49 (0.16) for Max-cem elite. Mean bond strength was higher in case of Max-cem Elite as compared to RelyX U200 resin cement, although differences were non–significant (p > 0.05). Conclusion Surface treatment of enamel increases the bond strength of self adhesive resin cement. PMID:26894165
Demirtas, Hatice Kubra; Akin, Mehmet; Ileri, Zehra; Basciftci, Faruk Ayhan
2015-01-01
The aim of this study was to evaluate the effects of different surface preparation methods on the shear bond strength (SBS) of orthodontic metal brackets to aged nano-hybrid resin composite surfaces in vitro. A total of 100 restorative composite resin discs, 6 mm in diameter and 3 mm thick, were obtained and treated with an ageing procedure. After ageing, the samples were randomly divided as follows according to surface preparation methods: (1)Control, (2)37% phosphoric acid gel, (3)Sandblasting, (4)Diamond bur, (5)Air-flow and 20 central incisor teeth were used for the control etched group. SBS test were applied on bonded metal brackets to all samples. SBS values and residual adhesives were evaluated. Analysis of variance showed a significant difference (p<0.001) between the groups. Sandblasted group had the highest SBS value (12.85 MPa) in experimental groups. The sandblasting surface treatment is recommended as an effective method of bonding orthodontic metal brackets to nano-hybrid composite resin surfaces.
Bonded joint and method. [for reducing peak shear stress in adhesive bonds
NASA Technical Reports Server (NTRS)
Sainsbury-Carter, J. B. (Inventor)
1974-01-01
An improved joint is described for reducing the peak shear stress in adhesive bonds when adhesives are used to bond two materials which are in a lapped relationship and which differ in value of modulus of elasticity. An insert placed between the adhesive and one of the two materials acts to cushion the discontinuity of material stiffness thereby reducing the peak shear stress in the adhesive bond.
Microtensile bond strength of different acrylic teeth to high-impact denture base resins.
Colebeck, Amanda C; Monaco, Edward A; Pusateri, Christopher R; Davis, Elaine L
2015-01-01
This study evaluated the effect of denture base acrylic, denture tooth composition, and ridge-lap surface treatment on the microtensile bond strength (μTBS) of three commercially available denture teeth and two injection denture processing systems. Sixteen experimental groups were formed (n = 3), according to denture tooth surface treatment (no treatment or surface treatment recommended by the manufacturer), denture base processing technique and acrylic (SR-Ivocap-Ivocap Plus or Success-Lucitone 199), and tooth type-composition at bonding interface (BlueLine DCL-PMMA, Portrait IPN-PMMA, Phonares II-PMMA, Phonares II-NHC). Rectangular bar specimens with a 1 mm(2) cross sectional area were fabricated and subsequently thermocycled at 10,000 cycles between 5°C and 55°C with a 15-second dwell time. Select specimens underwent μTBS testing in a universal testing machine with a 1 kN load cell at 0.5 mm/min crosshead speed. Data were analyzed statistically by two and three-way ANOVA and Tukey post hoc test (α = 0.05). Mean μTBS ranged between 56.2 ± 5.6 and 60.8 ± 5.0 N/mm(2) for the Ivocap Plus specimens and 13.3 ± 5.12 to 60.1 ± 6.0 N/mm(2) for the Lucitone 199 specimens. Among the Ivocap specimens, BlueLine DCL and Phonares II NHC had significantly higher μTBS than Portrait IPN to Ivocap Plus acrylic. There were no statistically significant differences among Blueline, Phonares II PMMA, and Phonares II NHC, or between Phonares II PMMA and Portrait IPN. Within the Luctione 199 specimens, there was a significantly higher μTBS for BlueLine DCL and Phonares II NHC denture teeth with the manufacturer-recommended surface treatment when compared to control surface. BlueLine, Portrait, and Phonares II PMMA groups achieved significantly higher mean μTBS than the Phonares II NHC group. There were no statistically significant differences among BlueLine, Portrait, and Phonares II PMMA groups. When evaluating the μTBS of PMMA and NHC denture teeth to base resins, a
Nanoindentation methods for wood-adhesive bond lines
Joseph E. Jakes; Donald S. Stone; Charles R. Frihart
2008-01-01
As an adherend, wood is structurally, chemically, and mechanically more complex than metals or plastics, and the largest source of this complexity is woodâs chemical and mechanical inhomogeneities. Understanding and predicting the performance of adhesively bonded wood requires knowledge of the interactions occurring at length scales ranging from the macro down to the...
Joulaei, Mohammad; Bahari, Mahmoud; Ahmadi, Anahid; Savadi Oskoee, Siavash
2012-01-01
Background and aims Effect of surface treatments on repair bond strength of aged composite resins might be different due to their dissimilar fillers. The aim was to evaluate the effect of different surface treatments on repair micro-shear bond strength (µSBS) of silica- (Spectrum TPH) and zirconia-filled (Filtek Z250) composite resins. Materials and methods Twenty-seven composite resin blocks were made from each type of composite resin: Z250 and Spectrum TPH. After aging, blocks of each type were randomly divided into three groups according to surface treatments: alloy primer, silane, and only surface roughening. Subsequently, each group was further subdivided into 3 subgroups based on the adhesive system used: Single Bond, Clearfil SE Bond, and Margin Bond. Four composite resin columns were added on each block. After thermocycling, µSBStest were done at cross head speed of 0.5 mm/min. Data was analysed using multifactor ANOVA, one-way ANOVA and a post-hoc Bonferroni tests (α = 0.05). Results Analysis of data showed that the effect of composite resin type was not significant (p > 0.05), but the effects of the type of surface treatment (p = 0.01) and the type of adhesive system (p = 0.01) were significant on repair µSBS. In addition, the cumulative effect of the composite type-surface treatment and the composite type with the type of adhesive system were not statistically significant (p > 0.05). However, the cumulative effects of the adhesive system-surface treatment (p = 0.03) and the composite type-the adhesive system-surface treatments (p = 0.002) were significant. Conclusion Although repair µSBS values of both silica- and zirconia-filled composite resins were similar, use of different combinations of surface treatments and adhesive systems affected their repair µSBS differently. PMID:23277859
Soria-Carrasco, Víctor; Talavera, Gerard; Igea, Javier; Castresana, Jose
2007-11-01
We introduce a new phylogenetic comparison method that measures overall differences in the relative branch length and topology of two phylogenetic trees. To do this, the algorithm first scales one of the trees to have a global divergence as similar as possible to the other tree. Then, the branch length distance, which takes differences in topology and branch lengths into account, is applied to the two trees. We thus obtain the minimum branch length distance or K tree score. Two trees with very different relative branch lengths get a high K score whereas two trees that follow a similar among-lineage rate variation get a low score, regardless of the overall rates in both trees. There are several applications of the K tree score, two of which are explained here in more detail. First, this score allows the evaluation of the performance of phylogenetic algorithms, not only with respect to their topological accuracy, but also with respect to the reproduction of a given branch length variation. In a second example, we show how the K score allows the selection of orthologous genes by choosing those that better follow the overall shape of a given reference tree. http://molevol.ibmb.csic.es/Ktreedist.html
NASA Astrophysics Data System (ADS)
Boyd, Russell J.; Choi, Sai Cheng
1986-08-01
The topological properties of the charge density of the hydrogen-bonded complexes between nitrites and hydrogen chloride correlate linearly with theoretical estimates of the hydrogen-bond energy. At the 6-31G ** level, the hydrogenbond energies range from a low of 10 kJ/mol m NCCN—HC1 to a high of 38 kJ/mol in LiCN—HCl. A linear relationship between the charge density at the hydrogen-bond critical point and the NH internuclear distance of the RCN—HC1 complexes indicates that the generalization of the bond-length-bond-order relationship of CC bonds due to Bader, Tang, Tal and Biegler-König can be extended to intermolecular hydrogen bonding.
De Winter, Gunnar; Martins, Henrique Ramalho; Trovo, Rafael Arnoni; Chapman, Ben B
2016-01-01
Behavioural variation among individuals has received a lot of attention by behavioural ecologists in the past few years. Its causes and consequences are becoming vast areas of research. The origin and maintenance of individual variation in behaviour within and among populations is affected by many facets of the biotic and abiotic environment. Here, two populations of lab-reared juvenile three-spined sticklebacks (Gasterosteus aculeatus) are tested for three behaviours (boldness, exploration, and sociability). Given the identical rearing conditions, the only difference between these populations is the parental habitat. In both populations, correlations between behaviour and body length are found. Interestingly, these differ between the populations. In one population body length was negatively correlated with exploratory behaviour, while in the other one body length correlated negatively with sociability. Considering the identical environment these juvenile fish were exposed to, these findings suggest a potential (epi)genetic foundation for these correlations and shows that, in three-spined sticklebacks, the proximate basis for correlations between body length and behaviour appears quite malleable. Copyright © 2015 Elsevier B.V. All rights reserved.
Puigmartí-Luis, Josep; Minoia, Andrea; Pérez Del Pino, Angel; Ujaque, Gregori; Rovira, Concepció; Lledós, Agustí; Lazzaroni, Roberto; Amabilino, David B
2006-12-13
A new series of secondary amides bearing long alkyl chains with pi-electron-donor cores has been synthesized and characterised, and their self-assembly upon casting at surfaces has been studied. The different supramolecular assemblies of the materials have been visualized by using atomic force microscopy (AFM) and transmission electron microscopy (TEM). It is possible to obtain well-defined fibres of these aromatic core molecules as a result of the hydrogen bonds between the amide groups. Indeed, by altering the alkyl-chain lengths, constitutions, concentrations and solvent, it is possible to form different rodlike aggregates on graphite. Aggregate sizes with a lower limit of 6-8 nm width have been reached for different amide derivatives, while others show larger aggregates with rodlike morphologies which are several micrometers in length. For one compound that forms nanofibres, doping was performed by using a chemical oxidant, and the resulting layer on graphite was shown to exhibit metallic-like spectroscopy curves when probed with current-sensing AFM. This technique also revealed current maps of the surface of the molecular material. Fibre formation not only takes place on the graphite surface: nanometre scale rods have been imaged by using TEM on a grid after evaporation of solutions of the compounds in chloroform. Molecular modelling proves the importance of the hydrogen bonds in the generation of the fibres, and indicates that the constitution of the molecules is vital for the formation of the desired columnar stacks, results that are consistent with the images obtained by microscopic techniques. The results show the power of noncovalent bonds in self-assembly processes that can lead to electrically conducting nanoscale supramolecular wires.
Akin, Hakan; Tugut, Faik; Guney, Umit; Kirmali, Omer; Akar, Turker
2013-01-01
This study evaluated the effect of various surface treatments on the tensile bond strength of a silicone-based soft denture liner to two chemically different denture base resins, heat-cured polymethyl methacrylate (PMMA), and light-activated urethane dimethacrylate or Eclipse denture base resin. PMMA test specimens were fabricated and relined with a silicone-based soft denture liner (group AC). Eclipse test specimens were prepared according to the manufacturer's recommendation. Before they were relined with a silicone-based soft denture liner, each received one of three surface treatments: untreated (control, group EC), Eclipse bonding agent applied (group EB), and laser-irradiated (group EL). Tensile bond strength tests (crosshead speed = 5 mm/min) were performed for all specimens, and the results were analyzed using the analysis of variance followed by Tukey's test (p = 0.05). Eclipse denture base and PMMA resins presented similar bond strengths to the silicone-based soft denture liner. The highest mean force was observed in group EL specimens, and the tensile bond strengths in group EL were significantly different (p < 0.05) from those in the other groups.
Pencil grasp and children's handwriting legibility during different-length writing tasks.
Dennis, J L; Swinth, Y
2001-01-01
This study examined the influence ofpencil grasp on handwriting legibility during both short and long writing tasks in 46fourth-grade students who were typically developing. Matched samples were used to controlfor variability. Regular classroom writing assignments were scoredfor word and letter legibility, and scores were compared using a mixed repeated-measures analysis of variance design. The two independent variables were pencil grasp (dynamic tripod grasp vs. atypical grasp) and task length (short vs. long). A significant difference was found between the letter legibility scores on the short task and the letter legibility scores on the long task. Students' legibility was greater on the short task than on the long task across both grasp conditions. No significant difference was found in scores between students who used dynamic tripod grasps and those who used atypical grasps, nor was there a significant interaction between grasp and task length. No significant differences were found between word legibility scores. The results indicate that although the students in this study wrote more legibly on the short task than on the long task, the type of grasp they used did not affect their legibility. Because of the limited sample size, the results of this study should be interpreted cautiously. More research in handwriting performance and pencil grasp is needed to provide clear expectations and treatment options for students.
Enamel Bond Strength of New Universal Adhesive Bonding Agents.
McLean, D E; Meyers, E J; Guillory, V L; Vandewalle, K S
2015-01-01
Universal bonding agents have been introduced for use as self-etch or etch-and-rinse adhesives depending on the dental substrate and clinician's preference. The purpose of this study was to evaluate the shear bond strength (SBS) of composite to enamel using universal adhesives compared to a self-etch adhesive when applied in self-etch and etch-and-rinse modes over time. Extracted human third molars were used to create 120 enamel specimens. The specimens were ground flat and randomly divided into three groups: two universal adhesives and one self-etch adhesive. Each group was then subdivided, with half the specimens bonded in self-etch mode and half in etch-and-rinse mode. The adhesives were applied as per manufacturers' instructions, and composite was bonded using a standardized mold and cured incrementally. The groups were further divided into two subgroups with 10 specimens each. One subgroup was stored for 24 hours and the second for six months in 37°C distilled water and tested in shear. Failure mode was also determined for each specimen. A three-way analysis of variance (ANOVA) found a significant difference between groups based on bonding agent (p<0.001) and surface treatment (p<0.001) but not on time (p=0.943), with no significant interaction (p>0.05). Clearfil SE in etch-and-rinse and self-etch modes had more mixed fractures than either universal adhesive in either mode. Etching enamel significantly increased the SBS of composite to enamel. Clearfil SE had significantly greater bond strength to enamel than either universal adhesive, which were not significantly different from each other.
Effect of different surface treatments on the shear bond strength of nanofilled composite repairs
Ahmadizenouz, Ghazaleh; Esmaeili, Behnaz; Taghvaei, Arnica; Jamali, Zahra; Jafari, Toloo; Amiri Daneshvar, Farshid; Khafri, Soraya
2016-01-01
Background. Repairing aged composite resin is a challenging process. Many surface treatment options have been proposed to this end. This study evaluated the effect of different surface treatments on the shear bond strength (SBS) of nano-filled composite resin repairs. Methods. Seventy-five cylindrical specimens of a Filtek Z350XT composite resin were fabricated and stored in 37°C distilled water for 24 hours. After thermocycling, the specimens were divided into 5 groups according to the following surface treatments: no treatment (group 1); air abrasion with 50-μm aluminum oxide particles (group 2); irradiation with Er:YAG laser beams (group 3); roughening with coarse-grit diamond bur + 35% phosphoric acid (group 4); and etching with 9% hydrofluoric acid for 120 s (group 5). Another group of Filtek Z350XT composite resin samples (4×6 mm) was fabricated for the measurement of cohesive strength (group 6). A silane coupling agent and an adhesive system were applied after each surface treatment. The specimens were restored with the same composite resin and thermocycled again. A shearing force was applied to the interface in a universal testing machine. Data were analyzed using one-way ANOVA and post hoc Tukey tests (P < 0.05). Results. One-way ANOVA indicated significant differences between the groups (P < 0.05). SBS of controls was significantly lower than the other groups; differences between groups 2, 3, 4, 5 and 6 were not significant. Surface treatment with diamond bur + 35% phosphoric acid resulted in the highest bond strength. Conclusion. All the surface treatments used in this study improved the shear bond strength of nanofilled composite resin used. PMID:27092209
Zorba, Yahya Orcun; Ilday, Nurcan Ozakar; Bayındır, Yusuf Ziya; Demirbuga, Sezer
2013-01-01
Objective: The aim of this study was to test the null hypothesis that different surface conditioning (etch and rinse and self-etch) and curing techniques (light cure/dual cure) had no effect on the shear bond strength of direct and indirect composite inlays. Materials and Methods: A total of 112 extracted human molar teeth were horizontally sectioned and randomly divided into two groups according to restoration technique (direct and indirect restorations). Each group was further subdivided into seven subgroups (n = 8) according to bonding agent (etch and rinse adhesives Scotchbond multi-purpose plus, All-Bond 3, Adper Single Bond and Prime Bond NT; and self-etch adhesives Clearfil Liner Bond, Futurabond DC and G bond). Indirect composites were cemented to dentin surfaces using dual-curing luting cement. Shear bond strength of specimens was tested using a Universal Testing Machine. Two samples from each subgroup were evaluated under Scanning electron microscopy to see the failing modes. Data was analyzed using independent sample t-tests and Tukey's tests. Results: Surface conditioning and curing of bonding agents were all found to have significant effects on shear bond strength (P < 0.05) of both direct and indirect composite inlays. With direct restoration, etch and rinse systems and dual-cured bonding agents yielded higher bond strengths than indirect restoration, self-etch systems and light-cured bonding agents. Conclusions: The results of the present study indicated that direct restoration to be a more reliable method than indirect restoration. Although etch and rinse bonding systems showed higher shear bond strength to dentin than self-etch systems, both systems can be safely used for the adhesion of direct as well as indirect restorations. PMID:24932118
Zorba, Yahya Orcun; Ilday, Nurcan Ozakar; Bayındır, Yusuf Ziya; Demirbuga, Sezer
2013-10-01
The aim of this study was to test the null hypothesis that different surface conditioning (etch and rinse and self-etch) and curing techniques (light cure/dual cure) had no effect on the shear bond strength of direct and indirect composite inlays. A total of 112 extracted human molar teeth were horizontally sectioned and randomly divided into two groups according to restoration technique (direct and indirect restorations). Each group was further subdivided into seven subgroups (n = 8) according to bonding agent (etch and rinse adhesives Scotchbond multi-purpose plus, All-Bond 3, Adper Single Bond and Prime Bond NT; and self-etch adhesives Clearfil Liner Bond, Futurabond DC and G bond). Indirect composites were cemented to dentin surfaces using dual-curing luting cement. Shear bond strength of specimens was tested using a Universal Testing Machine. Two samples from each subgroup were evaluated under Scanning electron microscopy to see the failing modes. Data was analyzed using independent sample t-tests and Tukey's tests. Surface conditioning and curing of bonding agents were all found to have significant effects on shear bond strength (P < 0.05) of both direct and indirect composite inlays. With direct restoration, etch and rinse systems and dual-cured bonding agents yielded higher bond strengths than indirect restoration, self-etch systems and light-cured bonding agents. The results of the present study indicated that direct restoration to be a more reliable method than indirect restoration. Although etch and rinse bonding systems showed higher shear bond strength to dentin than self-etch systems, both systems can be safely used for the adhesion of direct as well as indirect restorations.
Gas-phase Reactivity of meta-Benzyne Analogs Toward Small Oligonucleotides of Differing Lengths
NASA Astrophysics Data System (ADS)
Widjaja, Fanny; Max, Joann P.; Jin, Zhicheng; Nash, John J.; Kenttämaa, Hilkka I.
2017-07-01
The gas-phase reactivity of two aromatic carbon-centered σ,σ-biradicals ( meta-benzyne analogs) and a related monoradical towards small oligonucleotides of differing lengths was investigated in a Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer coupled with laser-induced acoustic desorption (LIAD). The mono- and biradicals were positively charged to allow for manipulation in the mass spectrometer. The oligonucleotides were evaporated into the gas phase as intact neutral molecules by using LIAD. One of the biradicals was found to be unreactive. The reactive biradical reacts with dinucleoside phosphates and trinucleoside diphosphates mainly by addition to a nucleobase moiety followed by cleavage of the glycosidic bond, leading to a nucleobase radical (e.g., base-H) abstraction. In some instances, after the initial cleavage, the unquenched radical site of the biradical abstracts a hydrogen atom from the neutral fragment, which results in a net nucleobase abstraction. In sharp contrast, the related monoradical mainly undergoes facile hydrogen atom abstraction from the sugar moiety. As the size of the oligonucleotides increases, the rate of hydrogen atom abstraction from the sugar moiety by the monoradical was found to increase due to the presence of more hydrogen atom donor sites, and it is the only reaction observed for tetranucleoside triphosphates. Hence, the monoradical only attacks sugar moieties in these substrates. The biradical also shows significant attack at the sugar moiety for tetranucleoside triphosphates. This drastic change in reactivity indicates that the size of the oligonucleotides plays a key role in the outcome of these reactions. This finding is attributed to more compact conformations in the gas phase for the tetranucleoside triphosphates than for the smaller oligonucleotides, which result from stronger stabilizing interactions between the nucleobases.
Regional differences in hyoid muscle activity and length-dynamics during mammalian head-shaking
Wentzel, Sarah E.; Konow, Nicolai; German, Rebecca Z.
2010-01-01
The sternohyoid (SH) and geniohyoid (GH) are antagonist strap-muscles that are active during a number of different behaviors, including sucking, intraoral transport, swallowing, breathing, and extension/flexion of the neck. Because these muscles have served different functions through the evolutionary history of vertebrates, it is quite likely they will have complex patterns of electrical activity and muscle fiber contraction. Different regions of the sternohyoid exhibit different contraction and activity patterns during a swallow. We examined the dynamics of the sternohyoid and geniohyoid muscles during an unrestrained, and vigorous head-shake behavior in an animal model of human head, neck and hyolingual movement. A gentle touch to infant pig ears elicited a head shake of several head revolutions. Using sonomicrometry and intramuscular EMG we measured regional (within) muscle strain and activity in SH and GH. We found that EMG was consistent across three regions (anterior, belly and posterior) of each muscle. Changes in muscle length however, were more complex. In the SH, mid-belly length-change occurred out of phase with the anterior and posterior end-regions, but with a zero-lag timing; the anterior region shortened prior to the posterior. In the GH, the anterior region shortened prior to, and out of phase with the mid-belly and posterior regions. Head-shaking is a relatively simple reflex behavior, yet the underlying patterns of muscle length-dynamics and EMG activity are not. The regional complexity in SH and GH, similar to regionalization of SH during swallowing, suggests that these ‘simple hyoid strap muscles’ are more complex than textbooks often suggest. PMID:21370479
Stereoselective heterocycle synthesis through oxidative carbon-hydrogen bond activation.
Liu, Lei; Floreancig, Paul E
2010-01-01
Heterocycles are ubiquitous structures in both drugs and natural products, and efficient methods for their construction are being pursued constantly. Carbon-hydrogen bond activation offers numerous advantages for the synthesis of heterocycles with respect to minimizing the length of synthetic routes and reducing waste. As interest in chiral medicinal leads increases, stereoselective methods for heterocycle synthesis must be developed. The use of carbon-hydrogen bond activation reactions for stereoselective heterocycle synthesis has produced a range of creative transformations that provide a wide array of structural motifs, selected examples of which are described in this review.
Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard
2016-01-01
The bulky tris(3- tert -butyl-5-pyrazolyl)hydroborato ligand, [Tp Bu t ,Me ], has been employed to obtain the first structurally characterized example of a molecular magnesium compound that features a terminal fluoride ligand, namely [Tp Bu t ,Me ]MgF, via the reaction of [Tp Bu t ,Me ]MgMe with Me 3 SnF. The chloride, bromide and iodide complexes, [Tp Bu t ,Me ]MgX (X = Cl, Br, I), can also be obtained by an analogous method using Me 3 SnX. The molecular structures of the complete series of halide derivatives, [Tp Bu t ,Me ]MgX (X = F, Cl, Br, I) have been determined by X-ray diffraction. In each case, the Mg-X bond lengths are shorter than the sum of the covalent radii, thereby indicating that there is a significant ionic component to the bonding, in agreement with density functional theory calculations. The fluoride ligand of [Tp Bu t ,Me ]MgF undergoes halide exchange with Me 3 SiX (X = Cl, Br, I) to afford [Tp Bu t ,Me ]MgX and Me 3 SiF. The other halide derivatives [Tp Bu t ,Me ]MgX undergo similar exchange reactions, but the thermodynamic driving forces are much smaller than those involving fluoride transfer, a manifestation of the often discussed silaphilicity of fluorine. In accord with the highly polarized Mg-F bond, the fluoride ligand of [Tp Bu t ,Me ]MgF is capable of serving as a hydrogen bond and halogen bond acceptor, such that it forms adducts with indole and C 6 F 5 I. [Tp Bu t ,Me ]MgF also reacts with Ph 3 CCl to afford Ph 3 CF, thereby demonstrating that [Tp Bu t ,Me ]MgF may be used to form C-F bonds.
Beste, A; Harrison, R J; Yanai, T
2006-08-21
Chemists are mainly interested in energy differences. In contrast, most quantum chemical methods yield the total energy which is a large number compared to the difference and has therefore to be computed to a higher relative precision than would be necessary for the difference alone. Hence, it is desirable to compute energy differences directly, thereby avoiding the precision problem. Whenever it is possible to find a parameter which transforms smoothly from an initial to a final state, the energy difference can be obtained by integrating the energy derivative with respect to that parameter (cf. thermodynamic integration or adiabatic connection methods). If the dependence on the parameter is predominantly linear, accurate results can be obtained by single-point integration. In density functional theory and Hartree-Fock, we applied the formalism to ionization potentials, excitation energies, and chemical bond breaking. Example calculations for ionization potentials and excitation energies showed that accurate results could be obtained with a linear estimate. For breaking bonds, we introduce a nongeometrical parameter which gradually turns the interaction between two fragments of a molecule on. The interaction changes the potentials used to determine the orbitals as well as the constraint on the orbitals to be orthogonal.
Low temperature FTIR spectra and hydrogen bonds in polycrystalline cytidine.
Rozenberg, M; Jung, C; Shoham, G
2004-08-01
FTIR spectra of polycrystalline samples of cytidine, pure and containing a small quantity of N(O)H or N(O)D groups (<20%), were measured in KBr pellets from 4000 to 400 cm(-1) at temperatures from 300 to 20K. For the first time the bands of the narrow isotopically decoupled proton stretching vibration mode (nu(1)) of OH- and NH- groups were found; their number corresponds to the number of H-bonds in crystal according to structural data. The FTIR spectra at low temperature in the out-of-plane bending nu(4) proton mode range (lower than 1000 cm(-1)) of N(O)H groups revealed narrow bands, which correspond to nu(1) bands together with several "extra" bands, which are influenced by the isotopic exchange and (or) cooling. All of them have their counterparts in the N(O)D-substance spectrum with an isotopic frequency ratio of 1.30-1.40. The "extra" bands are assigned to the H-bound OH and NH protons, which are disordered and cannot be seen with X-ray crystal structure analysis. The peak positions of both mode bands (expressed as the red shift of nu(1) or blue shift of nu(4) modes relatively free molecules) were used for the estimation of the energy of different H-bonds using previously established empirical correlations between spectral and thermodynamic parameters of hydrogen bonds. The correlation of the red shift and H-bond length is also confirmed for all five H-bonds of cytidine.
Jing, Qinghe; Tang, Yating; Qian, Dongjin
2018-01-01
Purpose To investigate the differences in axial length, corneal curvature, and corneal astigmatism with age in patients with Marfan syndrome (MFS) and ectopia lentis. Methods A retrospective case series study was conducted. MFS patients with ectopia lentis were divided into groups according to age. Axial length, corneal curvature, and corneal astigmatism were measured. Results This study included 114 MFS patients (215 eyes) with a mean age of 19.0 ± 13.9 years. Axial length differed significantly across age groups in MFS patients (P < 0.001), whereas corneal curvature did not (P = 0.767). Corneal astigmatism was statistically significant throughout the MFS cohort (P = 0.009), but no significant difference was found in young MFS patients (P = 0.838). With increasing age, the orientation of the corneal astigmatism changed from with-the-rule astigmatism to against-the-rule or oblique astigmatism (P < 0.001). A linear correlation analysis showed weak correlations between age and axial length for both eyes and with corneal astigmatism for the left eye, but there was no correlation between age and corneal curvature. Conclusions In MFS, axial length varies with age, corneal curvature remains stable, and corneal astigmatism is higher in young patients and tends to shift toward against-the-rule or oblique astigmatism. Therefore, it is important to consider age when diagnosing MFS with ocular biometric data. PMID:29854424
Effect of dimethyl sulfoxide wet-bonding technique on hybrid layer quality and dentin bond strength.
Stape, Thiago Henrique Scarabello; Tjäderhane, Leo; Marques, Marcelo Rocha; Aguiar, Flávio Henrique Baggio; Martins, Luís Roberto Marcondes
2015-06-01
This study examined the effect of a dimethyl sulfoxide (DMSO) wet bonding technique on the resin infiltration depths at the bonded interface and dentin bond strength of different adhesive systems. Flat dentin surfaces of 48 human third molars were treated with 50% DMSO (experimental groups) or with distilled water (controls) before bonding using an etch-and-rinse (SBMP: Scotchbond Multi-Purpose, 3M ESPE) or a self-etch (Clearfil: Clearfil SE Bond, Kuraray) adhesive system. The restored crown segments (n=12/group) were stored in distilled water (24h) and sectioned for interfacial analysis of exposed collagen using Masson's Trichrome staining and for microtensile bond strength testing. The extent of exposed collagen was measured using light microscopy and a histometric analysis software. Failure modes were examined by SEM. Data was analyzed by two-way ANOVA followed by Tukey Test (α=0.05). The interaction of bonding protocol and adhesive system had significant effects on the extension of exposed collagen matrix (p<0.0001) and bond strength (p=0.0091). DMSO-wet bonding significantly reduced the extent of exposed collagen matrix for SBMP and Clearfil (p<0.05). Significant increase in dentin bond strength was observed on DMSO-treated specimens bonded with SBMP (p<0.05), while no differences were observed for Clearfil (p>0.05). DMSO-wet bonding was effective to improve the quality of resin-dentin bonds of the tested etch-and-rinse adhesives by reducing the extent of exposed collagen matrix at the base of the resin-dentin biopolymer. The improved penetration of adhesive monomers is reflected as an increase in the immediate bond strength when the DMSO-wet bonding technique is used with a water-based etch-and-rinse adhesive. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
Pitta, João; Branco, Teresa C; Portugal, Jaime
2018-05-01
Saliva contamination has been shown to decrease bonding to zirconia. Adopting a less contamination-sensitive cement system may be an alternative to decontamination. The purpose of this in vitro study was to assess the ability of different primer/cement systems to promote a durable bond to zirconia after saliva contamination. Zirconia blocks (Lava Plus) (N=320) were airborne-particle abraded (50 μm Al 2 O 3 ) and divided into 32 experimental groups (n=10) according to the variables in the study: saliva contamination; primer/cement system (Panavia SA [PSA]; RelyX Unicem 2 [RU2]; Bifix SE [BSE]; Panavia F2.0 [PF2]; Scotchbond Universal + RelyX Ultimate [SBU+RXU]; Futurabond M+ + Bifix QM [FBM+BQM]; All-Bond Universal + Duo-link [ABU+DL]; Z-Prime Plus + Duo-link [ZPP+DL]; and aging period (72 hours; 30 days with 10 000 thermocycles at 5°C to 55°C). After half of the blocks had been contaminated with fresh human saliva for 10 minutes, rinsed with water, and air-dried, each primer/cement was applied. Polymerized composite resin disks were then placed over the cement, and the resin cement was light-polymerized for 20 seconds each at 2 opposite margins. After the aging time, the specimens were tested in shear (1 mm/min). The failure mode was classified as adhesive, cohesive, or mixed. Statistical analysis of the shear bond strength (SBS) data was performed with ANOVA followed by Tukey honest significant difference post hoc tests. Chi-square tests were used to analyze the failure mode data (α=.05). The mean SBS ranged between 4.2 and 34.5 MPa. Shear bond strength was influenced (P<.001) by all the factors studied (cement system, saliva contamination, aging time). SBU+RXU and FBM+BQM showed a higher mean SBS than those of the other experimental groups (P<.05) and were the only groups not affected by saliva contamination (P>.05). Failure was predominantly classified as adhesive. In general, saliva contamination and aging decreased bonding efficacy. Two systems
Bonding in Sulfur-Oxygen Compounds-HSO/SOH and SOO/OSO: An Example of Recoupled Pair π Bonding.
Lindquist, Beth A; Takeshita, Tyler Y; Woon, David E; Dunning, Thom H
2013-10-08
The ground states (X(2)A″) of HSO and SOH are extremely close in energy, yet their molecular structures differ dramatically, e.g., re(SO) is 1.485 Å in HSO and 1.632 Å in SOH. The SO bond is also much stronger in HSO than in SOH: 100.3 kcal/mol versus 78.8 kcal/mol [RCCSD(T)-F12/AVTZ]. Similar differences are found in the SO2 isomers, SOO and OSO, depending on whether the second oxygen atom binds to oxygen or sulfur. We report generalized valence bond and RCCSD(T)-F12 calculations on HSO/SOH and OSO/SOO and analyze the bonding in all four species. We find that HSO has a shorter and stronger SO bond than SOH due to the presence of a recoupled pair bond in the π(a″) system of HSO. Similarly, the bonding in SOO and OSO differs greatly. SOO is like ozone and has substantial diradical character, while OSO has two recoupled pair π bonds and negligible diradical character. The ability of the sulfur atom to form recoupled pair bonds provides a natural explanation for the dramatic variation in the bonding in these and many other sulfur-oxygen compounds.
Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E; Hunter, Christopher A
2018-06-06
Synthetic oligomers equipped with complementary H-bond donor and acceptor side chains form multiply H-bonded duplexes in organic solvents. Comparison of the duplex forming properties of four families of oligomers with different backbones shows that formation of an extended duplex with three or four inter-strand H-bonds is more challenging than formation of complexes that make only two H-bonds. The stabilities of 1 : 1 complexes formed between length complementary homo-oligomers equipped with either phosphine oxide or phenol recognition modules were measured in toluene. When the backbone is very flexible (pentane-1,5-diyl thioether), the stability increases uniformly by an order of magnitude for each additional base-pair added to the duplex: the effective molarities for formation of the first intramolecular H-bond (duplex initiation) and subsequent intramolecular H-bonds (duplex propagation) are similar. This flexible system is compared with three more rigid backbones that are isomeric combinations of an aromatic ring and methylene groups. One of the rigid systems behaves in exactly the same way as the flexible backbone, but the other two do not. For these systems, the effective molarity for formation of the first intramolecular H-bond is the same as that found for the other two backbones, but additional H-bonds are not formed between the longer oligomers. The effective molarities are too low for duplex propagation in these systems, because the oligomer backbones cannot adopt conformations compatible with formation of an extended duplex.
NASA Astrophysics Data System (ADS)
Zeng, Guang; Cao, Shuchao; Liu, Chi; Song, Weiguo
2018-06-01
It is important to study pedestrian stepping behavior and characteristics for facility design and pedestrian flow study due to pedestrians' bipedal movement. In this paper, data of steps are extracted based on trajectories of pedestrians from a single-file experiment. It is found that step length and step frequency will decrease 75% and 33%, respectively, when global density increases from 0.46 ped/m to 2.28 ped/m. With the increment of headway, they will first increase and then remain constant when the headway is beyond 1.16 m and 0.91 m, respectively. Step length and frequency under different headways can be described well by normal distributions. Meanwhile, relationships between step length and frequency under different headways exist. Step frequency decreases with the increment of step length. However, the decrease tendencies depend on headways as a whole. And there are two decrease tendencies: when the headway is between about 0.6 m and 1.0 m, the decrease rate of the step frequency will increase with the increment of step length; while it will decrease when the headway is beyond about 1.0 m and below about 0.6 m. A model is built based on the experiment results. In fundamental diagrams, the results of simulation agree well with those of experiment. The study can be helpful for understanding pedestrian stepping behavior and designing public facilities.
Shear bond strength between autopolymerizing acrylic resin and Co-Cr alloy using different primers.
Sanohkan, Sasiwimol; Urapepon, Somchai; Harnirattisai, Choltacha; Sirisinha, Chakrit; Sunintaboon, Panya
2012-01-01
This study aimed to examine the shear bond strength between cobalt chromium alloy and autopolymerizing acrylic resin using experimental primers containing 5, 10, and 15 wt% of 4-methacryloxyethyl trimellitic anhydride or 1, 2, and 3 wt% of 3-methacryloxypropyl-trimethoxysilane comparison to 5 commercial primers (ML primers, Alloy primer, Metal/Zirconia primer, Monobond S, and Monobond plus). Sixty alloy specimens were sandblasted and treated with each primer before bonded with an acrylic resin. The control group was not primed. The shear bond strengths were tested and statistically compared. Specimens treated with commercial primers significantly increased the shear bond strength of acrylic resin to cobalt chromium alloy (p<0.05). The highest shear bond strength was found in the Alloy primer group. Among experimental group, using 10 wt% of 4-methacryloxyethyl trimellitic anhydride -or 2 wt% of 3-methacryloxypropyltrimethoxysilane enhanced highest shear bond strength. The experimental and commercial primers in this study all improved bonding of acrylic resin to cobalt chromium alloy.
Comprehensive derivation of bond-valence parameters for ion pairs involving oxygen
Gagné, Olivier Charles; Hawthorne, Frank Christopher
2015-01-01
Published two-body bond-valence parameters for cation–oxygen bonds have been evaluated via the root mean-square deviation (RMSD) from the valence-sum rule for 128 cations, using 180 194 filtered bond lengths from 31 489 coordination polyhedra. Values of the RMSD range from 0.033–2.451 v.u. (1.1–40.9% per unit of charge) with a weighted mean of 0.174 v.u. (7.34% per unit of charge). The set of best published parameters has been determined for 128 ions and used as a benchmark for the determination of new bond-valence parameters in this paper. Two common methods for the derivation of bond-valence parameters have been evaluated: (1) fixing B and solving for R o; (2) the graphical method. On a subset of 90 ions observed in more than one coordination, fixing B at 0.37 Å leads to a mean weighted-RMSD of 0.139 v.u. (6.7% per unit of charge), while graphical derivation gives 0.161 v.u. (8.0% per unit of charge). The advantages and disadvantages of these (and other) methods of derivation have been considered, leading to the conclusion that current methods of derivation of bond-valence parameters are not satisfactory. A new method of derivation is introduced, the GRG (generalized reduced gradient) method, which leads to a mean weighted-RMSD of 0.128 v.u. (6.1% per unit of charge) over the same sample of 90 multiple-coordination ions. The evaluation of 19 two-parameter equations and 7 three-parameter equations to model the bond-valence–bond-length relation indicates that: (1) many equations can adequately describe the relation; (2) a plateau has been reached in the fit for two-parameter equations; (3) the equation of Brown & Altermatt (1985 ▸) is sufficiently good that use of any of the other equations tested is not warranted. Improved bond-valence parameters have been derived for 135 ions for the equation of Brown & Altermatt (1985 ▸) in terms of both the cation and anion bond-valence sums using the GRG method and our complete data set. PMID
Cintrón, Michael Santiago; Johnson, Glenn P; French, Alfred D
2017-04-18
The interaction of two methanol molecules, simplified models of carbohydrates and cellulose, was examined using a variety of quantum mechanics (QM) levels of theory. Energy plots for hydrogen bonding distance (H⋯O) and angle (OH⋯O) were constructed. All but two experimental structures were located in stabilized areas on the vacuum phase energy plots. Each of the 399 models was analyzed with Bader's atoms-in-molecules (AIM) theory, which showed a widespread ability by the dimer models to form OH⋯O hydrogen bonds that have bond paths and Bond Critical Points. Continuum solvation calculations suggest that a portion of the energy-stabilized structures could occur in the presence of water. A survey of the Cambridge Structural Database (CSD) for all donor-acceptor interactions in β-D-glucose moieties examined the similarities and differences among the hydroxyl groups and acetal oxygen atoms that participate in hydrogen bonds. Comparable behavior was observed for the O2H, O3H, O4H, and O6H hydroxyls, acting either as acceptors or donors. Ring O atoms showed distinct hydrogen bonding behavior that favored mid-length hydrogen bonds. Published by Elsevier Ltd.
Gustafson, Samantha; Pittman, Andrea; Fanning, Robert
2013-06-01
This tutorial demonstrates the effects of tubing length and coupling type (i.e., foam tip or personal earmold) on hearing threshold and real-ear-to-coupler difference (RECD) measures. Hearing thresholds from 0.25 kHz through 8 kHz are reported at various tubing lengths for 28 normal-hearing adults between the ages of 22 and 31 years. RECD values are reported for 14 of the adults. All measures were made with an insert earphone coupled to a standard foam tip and with an insert earphone coupled to each participant's personal earmold. Threshold and RECD measures obtained with a personal earmold were significantly different from those obtained with a foam tip on repeated measures analyses of variance. One-sample t tests showed these differences to vary systematically with increasing tubing length, with the largest average differences (7-8 dB) occurring at 4 kHz. This systematic examination demonstrates the equal and opposite effects of tubing length on threshold and acoustic measures. Specifically, as tubing length increased, sound pressure level in the ear canal decreased, affecting both hearing thresholds and the real-ear portion of the RECDs. This demonstration shows that when the same coupling method is used to obtain the hearing thresholds and RECD, equal and accurate estimates of real-ear sound pressure level are obtained.
Comparison of Shear Bond Strength of RMGI and Composite Resin for Orthodontic Bracket Bonding
Yassaei, Soghra; Davari, Abdolrahim; Goldani Moghadam, Mahjobeh; Kamaei, Ahmad
2014-01-01
Objective: The aim of this study was to compare the shear bond strength (SBS) of resin modified glass ionomer (RMGI) and composite resin for bonding metal and ceramic brackets. Materials and Methods: Eighty-eight human premolars extracted for orthodontic purposes were divided into 4 groups (n=22). In groups 1 and 2, 22 metal and ceramic brackets were bonded using composite resin (Transbond XT), respectively. Twenty-two metal and ceramic brackets in groups 3 and 4, respectively were bonded using RMGI (Fuji Ortho LC, Japan). After photo polymerization, the teeth were stored in water and thermocycled (500 cycles between 5° and 55°). The SBS value of each sample was determined using a Universal Testing Machine. The amount of residual adhesive remaining on each tooth was evaluated under a stereomicroscope. Statistical analyses were done using two-way ANOVA. Results: RMGI bonded brackets had significantly lower SBS value compared to composite resin bonded groups. No statistically significant difference was observed between metal and ceramic brackets bonded with either the RMGI or composite resin. The comparison of the adhesive remnant index (ARI) scores between the groups indicated that the bracket failure mode was significantly different among groups (P<0.001) with more adhesive remaining on the teeth bonded with composite resin. Conclusion: RMGIs have significantly lower SBS compared to composite resin for orthodontic bonding purposes; however the provided SBS is still within the clinically acceptable range. PMID:25628663
Bond compressibility and bond Grüneisen parameters of CdTe
NASA Astrophysics Data System (ADS)
Fornasini, P.; Grisenti, R.; Irifune, T.; Shinmei, T.; Mathon, O.; Pascarelli, S.; Rosa, A. D.
2018-06-01
Extended x-ray absorption fine structure (EXAFS) at the Cd K edge and diffraction patterns have been measured on CdTe as a function of pressure from 100 kPa (1 bar) to 5 GPa using a cell with nano-polycrystalline diamond anvils and an x-ray focussing scanning spectrometer. Three phases—zincblende (ZB), mixed cinnabar-ZB and rocksalt (RS)—are well distinguished in different pressure intervals. The bond compressibility measured by EXAFS in the ZB phase is slightly smaller than the one measured by diffraction and decreases significantly faster when the pressure increases; the difference is attributed to the effect of relative vibrations perpendicular to the Cd–Te bond. The parallel mean square relative displacement (MSRD) decreases, the perpendicular MSRD increases when the pressure increases, leading to an increasing anisotropy of relative atomic vibrations. A constant-temperature bond Grüneisen parameter (GP) has been evaluated for the ZB phase and compared with the constant-pressure bond GP measured in a previous experiment; an attempt is made to connect the bond GPs measured by EXAFS and the more familiar thermodynamic GP and mode GPs; the comparisons suggest the inadequacy of the quasi-harmonic approximation to deal with the local vibrational properties sampled by EXAFS.
Chattoraj, Joyjit; Knappe, Marisa; Heuer, Andreas
2015-06-04
It is known from experiments that in the polymer electrolyte system, which contains poly(ethylene oxide) chains (PEO), lithium-cations (Li(+)), and bis(trifluoromethanesulfonyl)imide-anions (TFSI(-)), the cation and the anion diffusion and the ionic conductivity exhibit a similar chain-length dependence: with increasing chain length, they start dropping steadily, and later, they saturate to constant values. These results are surprising because Li-cations are strongly correlated with the polymer chains, whereas TFSI-anions do not have such bonding. To understand this phenomenon, we perform molecular dynamics simulations of this system for four different polymer chain lengths. The diffusion results obtained from our simulations display excellent agreement with the experimental data. The cation transport model based on the Rouse dynamics can successfully quantify the Li-diffusion results, which correlates Li diffusion with the polymer center-of-mass motion and the polymer segmental motion. The ionic conductivity as a function of the chain length is then estimated based on the chain-length-dependent ion diffusion, which shows a temperature-dependent deviation for short chain lengths. We argue that in the first regime, counterion correlations modify the conductivity, whereas for the long chains, the system behaves as a strong electrolyte.
NASA Astrophysics Data System (ADS)
Paranjpe, Nikhil; Alamir, Mohammed; Alonayni, Abdullah; Asmatulu, Eylem; Rahman, Muhammad M.; Asmatulu, Ramazan
2018-03-01
Adhesives are widely utilized materials in aviation, automotive, energy, defense, and marine industries. Adhesive joints are gradually supplanting mechanical fasteners because they are lightweight structures, thus making the assembly lighter and easier. They also act as a sealant to prevent a structural joint from galvanic corrosion and leakages. Adhesive bonds provide high joint strength because of the fact that the load is distributed uniformly on the joint surface, while in mechanical joints, the load is concentrated at one point, thus leading to stress at that point and in turn causing joint failures. This research concentrated on the analysis of bond strength and failure loads in adhesive joint of composite-to-composite surfaces. Different durations of plasma along with the detergent cleaning were conducted on the composite surfaces prior to the adhesive applications and curing processes. The joint strength of the composites increased about 34% when the surface was plasma treated for 12 minutes. It is concluded that the combination of different surface preparations, rather than only one type of surface treatment, provides an ideal joint quality for the composites.
Shear Bond Strength of Three Orthodontic Bonding Systems on Enamel and Restorative Materials.
Hellak, Andreas; Ebeling, Jennifer; Schauseil, Michael; Stein, Steffen; Roggendorf, Matthias; Korbmacher-Steiner, Heike
2016-01-01
Objective. The aim of this in vitro study was to determine the shear bond strength (SBS) and adhesive remnant index (ARI) score of two self-etching no-mix adhesives (iBond ™ and Scotchbond ™ ) on different prosthetic surfaces and enamel, in comparison with the commonly used total etch system Transbond XT ™ . Materials and Methods . A total of 270 surfaces (1 enamel and 8 restorative surfaces, n = 30) were randomly divided into three adhesive groups. In group 1 (control) brackets were bonded with Transbond XT primer. In the experimental groups iBond adhesive (group 2) and Scotchbond Universal adhesive (group 3) were used. The SBS was measured using a Zwicki 1120 ™ testing machine. The ARI and SBS were compared statistically using the Kruskal-Wallis test ( P ≤ 0.05). Results . Significant differences in SBS and ARI were found between the control group and experimental groups. Conclusions . Transbond XT showed the highest SBS on human enamel. Scotchbond Universal on average provides the best bonding on all other types of surface (metal, composite, and porcelain), with no need for additional primers. It might therefore be helpful for simplifying bonding in orthodontic procedures on restorative materials in patients. If metal brackets have to be bonded to a metal surface, the use of a dual-curing resin is recommended.
Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary Chalcopyrites.
Miglio, Anna; Heinrich, Christophe P; Tremel, Wolfgang; Hautier, Geoffroy; Zeier, Wolfgang G
2017-09-01
Quaternary chalcopyrites have shown to exhibit tunable band gaps with changing anion composition. Inspired by these observations, the underlying structural and electronic considerations are investigated using a combination of experimentally obtained structural data, molecular orbital considerations, and density functional theory. Within the solid solution Cu 2 ZnGeS 4- x Se x , the anion bond alteration parameter changes, showing larger bond lengths for metal-selenium than for metal-sulfur bonds. The changing bonding interaction directly influences the valence and conduction band edges, which result from antibonding Cu-anion and Ge-anion interactions, respectively. The knowledge of the underlying bonding interactions at the band edges can help design properties of these quaternary chalcopyrites for photovoltaic and thermoelectric applications.
Hydrogen bonds in concreto and in computro: the sequel
NASA Astrophysics Data System (ADS)
Stouten, Pieter F. W.; Van Eijck, Bouke P.; Kroon, Jan
1991-02-01
In the framework of our comparative research concerning hydrogen bonding in the crystalline and liquid phases we have carried out molecular dynamics (MD) simulations of liquid methanol. Six different rigid three site models are compared. Five of them had been reported in the literature and one (OM2) we developed by a fit to the experimental molar volume, heat of vaporization and neutron weighted radial distribution function. In general the agreement with experiment is satisfactory for the different models. None of the models has an explicit hydrogen bond potential, but five of the six models show a degree of hydrogen bonding comparable to experiments on liquid methanol. The analysis of the simulation hydrogen bonds indicates that there is a distinct preference of the O⋯O axis to lie in the acceptor lone pairs plane, but hardly any for the lone pair directions. Ab initio calculations and crystal structure statistics of OH⋯O hydrogen bonds agree with this observation. The O⋯O hydrogen bond length distributions are similar for most models. The crystal structures show a sharper O⋯O distribution. Explicit introduction of harmonic motion with a quite realistic root mean square amplitude of 0.08 Å to the thermally averaged crystal distribution results in a distribution comparable to OM2 although the maximum of the former is found at shorter distance. On the basis of the analysis of the static properties of all models we conclude that our OM2, Jorgenson's OPLS and Haughney, Ferrario and McDonald's HFM1 models are good candidates for simulations of liquid methanol under isothermal, isochoric conditions. Partly flexible and completely rigid OM2 are simulated at constant pressure and with fixed volume. The flexible simulations give essentially the same (correct) results under both conditions, which is not surprising because the flexible form was fitted under both conditions. Rigid OM2 has a similar potential energy but larger pressure in the
Shirani, Farzaneh; Birang, Reza; Malekipour, Mohammad Reza; Hourmehr, Zahra; Kazemi, Shantia
2014-01-01
Background: Dental surfaces prepared with different Er:YAG laser distance may have different characteristics compared with those prepared with conventional instruments. The aim of this study was to investigate the effect of Er:YAG laser irradiation distance from enamel and dentin surfaces on the shear bond strength of composite with self-etch and etch and rinse bonding systems compared with conventional preparation method. Materials and Methods: Two hundred caries-free human third molars were randomly divided into twenty groups (n = 10). Ten groups were designated for enamel surface (E1-E10) and ten for dentin surface (D1-D10). Er: YAG laser (2940 nm) was used on the E1-E8 (240 mJ, 25 Hz) and D1-D8 (140 mJ, 30 Hz) groups at four different distances of 0.5 (standard), 2, 4 and 11 mm. Control groups (E9, E10, D9 and D10) were ground with medium grit diamond bur. The enamel and dentin specimens were divided into two subgroups that were bonded with either Single Bond or Clearfil SE Bond. Resin composite (Z100) was dispensed on prepared dentin and enamel. The shear bond strengths were tested using a universal testing machine. Data were analyzed by SPSS12 statistical software using three way analysis of variance, Tukey and independent t-test. P < 0.05 was considered as significant. Results: There was a significant difference between enamel and dentin substrates (P < 0.001) and between lased and un-lased groups; the un-lased group had significantly higher bond strength (P < 0.001). Shear bond strength increased significantly with an increase in the laser irradiation distance (P < 0.05) on enamel surfaces (in both bonding agent subgroups) and on dentin surfaces (in the Single Bond subgroup). Conclusion: Laser irradiation decreases shear bond strength. Irradiation distance affects shear bond strength and increasing the distance would decrease the negative effects of laser irradiation. PMID:25540665
Impact of hydrogen bonding on dynamics of hydroxyl-terminated polydimethylsiloxane
Xing, Kunyue; Chatterjee, Sabornie; Saito, Tomonori; ...
2016-04-06
Dielectric spectroscopy, rheology, and differential scanning calorimetry were employed to study the effect of chain-end hydrogen bonding on the dynamics of hydroxylterminated polydimethylsiloxane. We demonstrate that hydrogen bonding has a strong influence on both segmental and slower dynamics in the systems with low molecular weights. In particular, the decrease in the chain length leads to an increase of the glass transition temperature, viscosity, and fragility index, at variance with the usual behavior of nonassociating polymers. The supramolecular association of hydroxylterminated chains leads to the emergence in dielectric and mechanical relaxation spectra of the so-called Debye process traditionally observed in monohydroxymore » alcohols. Our analysis suggests that the hydroxyl-terminated PDMS oligomers may associate in brush-like or chain-like structures, depending on the size of their covalent chains. Finally, the effective length of the linear-associated chains was estimated from the rheological measurements.« less
Suzuki, Thaís Yumi Umeda; Gomes-Filho, João Eduardo; Gallego, Juno; Pavan, Sabrina; Dos Santos, Paulo Henrique; Fraga Briso, André Luiz
2015-01-01
The mechanical properties of the adhesive materials used in intraradicular treatments could vary according to the interaction between the restorative material and dentin substrate. An evaluation of these properties is essential to determine the success of the luting procedures performed on glass-fiber posts. The purpose of this study was to evaluate the mechanical properties of dentin adhesives, resin cements, and the dentin that underlies the bonding interface in different thirds of intraradicular dentin. Forty extracted, single-rooted human teeth were used in this study. After the endodontic treatment of the post spaces, the teeth were divided into 5 groups (n=8): Adper Single Bond 2 + RelyX ARC, Excite DSC + RelyX ARC, Adper SE Plus + RelyX ARC, RelyX Unicem, and Set. The hardness and elastic modulus values were measured at the adhesive interface in different thirds of the radicular dentin by using an ultramicrohardness tester. The data were subjected to 2-way ANOVA and the Fisher protected least significant difference test (α=.05). In the underlying dentin, the highest Martens hardness values were found in the apical region for all groups; the exceptions were the groups with the self-etching adhesive. In the adhesive layer, the highest Martens hardness values were obtained for the Adper SE Plus + RelyX ARC group; further, no statistical differences were found among the different regions for this group. RelyX ARC had the lowest Martens hardness and elastic modulus values in the apical regions when used with Adper Single Bond 2 and Adper SE Plus. No differences were found in the Martens hardness and elastic modulus values for the self-adhesive resin cement in the regions investigated. The mechanical properties of adhesive materials and the underlying dentin are influenced by the interaction between the two as well as by the depth of the analyzed intraradicular area. Copyright © 2015 Editorial Council for the Journal of Prosthetic Dentistry. Published by
NASA Astrophysics Data System (ADS)
Yuan, Jiao-Nan; Wei, Yong-Kai; Zhang, Xiu-Qing; Chen, Xiang-Rong; Ji, Guang-Fu; Kotni, Meena Kumari; Wei, Dong-Qing
2017-10-01
The shock response has a great influence on the design, synthesis, and application of energetic materials in both industrial and military areas. Therefore, the initial decomposition mechanism of bond scission at the atomistic level of condensed-phase α-RDX under shock loading has been studied based on quantum molecular dynamics simulations in combination with a multi-scale shock technique. First, based on the frontier molecular orbital theory, our calculated result shows that the N-NO2 bond is the weakest bond in the α-RDX molecule in the ground state, which may be the initial bond for pyrolysis. Second, the changes of bonds under shock loading are investigated by the changes of structures, kinetic bond lengths, and Laplacian bond orders during the simulation. Also, the variation of thermodynamic properties with time in shocked α-RDX at 10 km/s along the lattice vector a for a timescale of up to 3.5 ps is presented. By analyzing the detailed structural changes of RDX under shock loading, we find that the shocked RDX crystal undergoes a process of compression and rotation, which leads to the C-N bond initial rupture. The time variation of dynamic bond lengths in a shocked RDX crystal is calculated, and the result indicates that the C-N bond is easier to rupture than other bonds. The Laplacian bond orders are used to predict the molecular reactivity and stability. The values of the calculated bond orders show that the C-N bonds are more sensitive than other bonds under shock loading. In a word, the C-N bond scission has been validated as the initial decomposition in a RDX crystal shocked at 10 km/s. Finally, the bond-length criterion has been used to identify individual molecules in the simulation. The distance thresholds up to which two particles are considered direct neighbors and assigned to the same cluster have been tested. The species and density numbers of the initial decomposition products are collected according to the trajectory.
Scribante, Andrea; Sfondrini, Maria Francesca; Collesano, Vittorio; Tovt, Gaia; Bernardinelli, Luisa; Gandini, Paola
2017-01-01
Dental hygienists are often faced with patients wearing lingual orthodontic therapy, as ultrasonic instrumentation (UI) is crucial for oral health. As the application of external forces can lead to premature bonding failure, the aim of this study was to evaluate the effect of UI on shear bond strength (SBS) and on adhesive remnant index (ARI) of different lingual orthodontic brackets. 200 bovine incisors were divided into 10 groups. Four different lingual (STB, Ormco; TTR, Rocky Mountain Orthodontics; Idea, Leone; 2D, Forestadent) and vestibular control (Victory, 3M) brackets were bonded. UI was performed in half of specimens, whereas the other half did not receive any treatment. All groups were tested with a universal testing machine. SBS and ARI values were recorded. Statistical analysis was performed (significance: P = 0.05). TTR, Idea, and 2D lingual brackets significantly lowered SBS after UI, whereas for other braces no effect was recorded. Appliances with lower mesh area significantly reduced their adhesion capacity after UI. Moreover groups subjected to UI showed higher ARI scores than controls. UI lowered SBS of lingual appliances of small dimensions so particular care should be posed avoiding prolonged instrumentation around bracket base during plaque removal. Moreover, UI influenced also ARI scores.
Collesano, Vittorio; Tovt, Gaia; Bernardinelli, Luisa; Gandini, Paola
2017-01-01
Dental hygienists are often faced with patients wearing lingual orthodontic therapy, as ultrasonic instrumentation (UI) is crucial for oral health. As the application of external forces can lead to premature bonding failure, the aim of this study was to evaluate the effect of UI on shear bond strength (SBS) and on adhesive remnant index (ARI) of different lingual orthodontic brackets. 200 bovine incisors were divided into 10 groups. Four different lingual (STB, Ormco; TTR, Rocky Mountain Orthodontics; Idea, Leone; 2D, Forestadent) and vestibular control (Victory, 3M) brackets were bonded. UI was performed in half of specimens, whereas the other half did not receive any treatment. All groups were tested with a universal testing machine. SBS and ARI values were recorded. Statistical analysis was performed (significance: P = 0.05). TTR, Idea, and 2D lingual brackets significantly lowered SBS after UI, whereas for other braces no effect was recorded. Appliances with lower mesh area significantly reduced their adhesion capacity after UI. Moreover groups subjected to UI showed higher ARI scores than controls. UI lowered SBS of lingual appliances of small dimensions so particular care should be posed avoiding prolonged instrumentation around bracket base during plaque removal. Moreover, UI influenced also ARI scores. PMID:28904955
When does length cause the word length effect?
Jalbert, Annie; Neath, Ian; Bireta, Tamra J; Surprenant, Aimée M
2011-03-01
The word length effect, the finding that lists of short words are better recalled than lists of long words, has been termed one of the benchmark findings that any theory of immediate memory must account for. Indeed, the effect led directly to the development of working memory and the phonological loop, and it is viewed as the best remaining evidence for time-based decay. However, previous studies investigating this effect have confounded length with orthographic neighborhood size. In the present study, Experiments 1A and 1B revealed typical effects of length when short and long words were equated on all relevant dimensions previously identified in the literature except for neighborhood size. In Experiment 2, consonant-vowel-consonant (CVC) words with a large orthographic neighborhood were better recalled than were CVC words with a small orthographic neighborhood. In Experiments 3 and 4, using two different sets of stimuli, we showed that when short (1-syllable) and long (3-syllable) items were equated for neighborhood size, the word length effect disappeared. Experiment 5 replicated this with spoken recall. We suggest that the word length effect may be better explained by the differences in linguistic and lexical properties of short and long words rather than by length per se. These results add to the growing literature showing problems for theories of memory that include decay offset by rehearsal as a central feature. 2011 APA, all rights reserved
Lindquist, Beth A; Woon, David E; Dunning, Thom H
2014-07-31
Recoupled pair bonds (RPBs) are conditional bonds-they only form for selected central atoms and ligands. A complete theoretical description of RPBs requires an understanding of the properties of the central atom and ligands that enable such bonds to be formed. In this work, we show that ligand electronegativity is positively correlated with recoupled pair bond strength for a variety of ligands interacting with the 3p(2) pair of sulfur. We also describe substituent (X) effects on the SF(a(4)Σ(-)) state by investigating X2SF species. These effects generally mirror those observed for covalently bound analogues, but we found that recoupled pair bonding can lead to breakdowns in the expected relationships among bond length, strength, and force constant for some of these species. Finally, we compare the properties of two molecules of practical interest that are bound by recoupled pair bonds: the dimethyl sulfur fluoride and hydroxide radicals (DMS-F and DMS-OH).
Bandyopadhyay, D; Bhattacharyya, D
2006-10-15
It was shown earlier, from database analysis, model building studies, and molecular dynamics simulations that formation of cross-strand bifurcated or Extra Watson-Crick hydrogen (EWC) bonds between successive base pairs may lead to extra rigidity to DNA double helices of certain sequences. The strengths of these hydrogen bonds are debatable, however, as they do not have standard linear geometry criterion. We have therefore carried out detailed ab initio quantum chemical studies using RHF/6-31G(2d,2p) and B3LYP/6-31G(2p,2d) basis sets to determine strengths of several bent hydrogen bonds with different donor and acceptors. Interaction energy calculations, corrected for the basis set superposition errors, suggest that N-H...O type bent EWC hydrogen bonds are possible along same strands or across the strands between successive base pairs, leading to significant stability (ca. 4-9 kcal/mol). The N-H...N and C-H...O type interactions, however, are not so stabilizing. Hence, consideration of EWC N-H...O H-bonds can lead to a better understanding of DNA sequence directed structural features. Copyright (c) 2006 Wiley Periodicals, Inc.
Karadas, Muhammet; Çağlar, İpek
2017-07-01
The aim of this study was to evaluate the effect of Er:YAG laser irradiation on the micro-shear bond strength of self-etch adhesives to the superficial dentin and the deep dentin before and after thermocycling. Superficial dentin and deep dentin surfaces were prepared by flattening of the occlusal surfaces of extracted human third molars. The deep or superficial dentin specimens were randomized into three groups according to the following surface treatments: group I (control group), group II (Er:YAG laser; 1.2 W), and group III (Er:YAG laser; 0.5 W). Clearfil SE Bond or Clearfil S 3 Bond was applied to each group's dentin surfaces. After construction of the composite blocks on the dentin surface, the micro-shear bond testing of each adhesive was performed at 24 h or after 15,000 thermal cycles. The data were analyzed using a univariate analysis of variance and Tukey's test (p < 0.05). Laser irradiation in superficial dentin did not significantly affect bond strength after thermocycling (p > 0.05). However, deep-dentin specimens irradiated with laser showed significantly higher bond strengths than did control specimens after thermocycling (p < 0.05). Thermocycling led to significant deterioration in the bond strengths of all deep-dentin groups. The stable bond strength after thermocycling was measured for all of the superficial-dentin groups. No significant difference was found between the 0.5 and 1.2 W output power settings. In conclusion, the effect of laser irradiation on the bond strength of self-etch adhesives may be altered by the dentin depth. Regardless of the applied surface treatment, deep dentin showed significant bond degradation.
Gré, Cristina Parise; de Ré Silveira, Renan C; Shibata, Shizuma; Lago, Carlo Tr; Vieira, Luiz Cc
2016-02-01
This study evaluated the influence of a silane-coupling agent on the bond strength of a self-adhesive cement and a conventional resin cement to a lithium disilicate glass ceramic. A total of eight ceramic blocks were fabricated and divided into four groups (n = 2). In groups 1 and 3, ceramic surfaces were etched with hydrofluoric acid 10% for 20 seconds, rinsed for 30 seconds, and air-dried. One layer of a silane agent was applied onto all ceramic specimens and air-dried for 30 seconds. In groups 2 and 4, ceramic surfaces were etched with hydrofluoric acid, rinsed, and air-dried without application of the silane-coupling agent. The ceramic blocks were bonded to a block of composite with a self-adhesive resin cement or with a conventional resin cement, according to the manufacturer's instructions. After 24 hours in distilled water at 37°C, the specimens were sectioned perpendicular to the bonding interface area to obtain beams with a bonding area of 0.8 mm(2) and submitted to a microtensile bond strength test at a crosshead speed of 0.5 mm/min. Data were statistically analyzed with one-way analysis of variance and the Games-Howell post hoc test (p = 0.05). Fractured specimens were examined under optical microscopy at 40x magnification. Silanization resulted in higher microtensile bond strength compared to groups without silane. No significant differences were found between the conventional resin cement and the self-adhesive resin cement with silane agent (p = 0.983), and without silane agent (p = 0.877). Silanization appears to be crucial for resin bonding to a lithium disilicate-based ceramic, regardless of the resin cement used. The self-adhesive resin cement performed as well as the conventional resin cement. Applying one layer of a silane-coupling agent after etching the ceramic surface with hydrofluoric acid 10% enhanced the bond strength between resin cements and a glass ceramic.
NASA Technical Reports Server (NTRS)
Gaier, James R.; Siamidis, John; Larkin, Elizabeth M. G.
2010-01-01
The National Aeronautics and Space Administration (NASA) is currently developing a new universal docking mechanism for future space exploration missions called the Low Impact Docking System (LIDS). A candidate LIDS main interface seal design is a composite assembly of silicone elastomer seals vacuum molded into grooves in an electroless nickel plated aluminum retainer. The strength of the silicone-tometal bond is a critical consideration for the new system, especially due to the presence of small areas of disbond created during the molding process. In the work presented herein, seal-to-retainer bonds of subscale seal specimens with different sizes of intentional disbond were destructively tensile tested. Nominal specimens without intentional disbonds were also tested. Tension was applied either uniformly on the entire seal circumference or locally in one short circumferential length. Bond failure due to uniform tension produced a wide scatter of observable failure modes and measured load-displacement behaviors. Although the preferable failure mode for the seal-to-retainer bond is cohesive failure of the elastomer material, the dominant observed failure mode under the uniform loading condition was found to be the less desirable adhesive failure of the bond in question. The uniform tension case results did not show a correlation between disbond size and bond strength. Localized tension was found to produce failure either as immediate tearing of the elastomer material outside the bond region or as complete peel-out of the seal in one piece. The obtained results represent a valuable benchmark for comparison in the future between adhesion loads under various separation conditions and composite seal bond strength.
Konarev, Dmitri V; Troyanov, Sergey I; Ustimenko, Kseniya A; Nakano, Yoshiaki; Shestakov, Alexander F; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N
2015-05-18
Coordination of two bridging cobalt atoms to fullerenes by the η(2) type in {Co(dppe)}2{μ2-η(2):η(2)-η(2):η(2)-[(C60)2]}·3C6H4Cl2 [1; dppe = 1,2-bis(diphenylphosphino)ethane] triggers fullerene dimerization with the formation of two intercage C-C bonds of 1.571(4) Å length. Coordination-induced fullerene dimerization opens a path to the design of fullerene structures bonded by both covalent C-C bonds and η(2)-coordination-bridged metal atoms.
Discrimination of phoneme length differences in word and sentence contexts
NASA Astrophysics Data System (ADS)
Kawai, Norimune; Carrell, Thomas
2005-09-01
The ability of listeners to discriminate phoneme duration differences within word and sentence contexts was measured. This investigation was part of a series of studies examining the audibility and perceptual importance of speech modifications produced by stuttering intervention techniques. Just noticeable differences (jnd's) of phoneme lengths were measured via the parameter estimation by sequential testing (PEST) task, an adaptive tracking procedure. The target phonemes were digitally manipulated to vary from normal (130 m) to prolonged (210 m) duration in 2-m increments. In the first condition the phonemes were embedded in words. In the second condition the phonemes were embedded within words, which were further embedded in sentences. A four-interval forced-choice (4IAX) task was employed on each trial, and the PEST procedure determined the duration at which each listener correctly detected a difference between the normal duration and the test duration 71% of the time. The results revealed that listeners were able to reliably discriminate approximately 15-m differences in word context and 10-m differences in sentence context. An independent t-test showed a difference in discriminability between word and sentence contexts to be significant. These results indicate that duration differences were better perceived within a sentence context.
Jern, Patrick; Santtila, Pekka; Johansson, Ada; Varjonen, Markus; Witting, Katarina; von der Pahlen, Bettina; Sandnabba, Kenneth
2009-09-01
Recently, attempts to formulate valid and suitable definitions for (different subcategories of) premature ejaculation have resulted in substantial progress in the pursuit to gain knowledge about ejaculatory function. However, the association between ejaculatory dysfunction and different types of sexual activities has yet to be thoroughly investigated, and (due to conflicting results between studies) the potential effects of age and relationship length still need to be taken into account. The aim of this study is to investigate the associations of age, relationship length, frequency of different sexual activities, and different modes of achieving ejaculation with self-reported ejaculation latency time. The main outcome is establishing associations between age, relationship length, self-reported ejaculation latency time, and frequency of different kinds of sexual activities and different modes of achieving ejaculation (such as achieving ejaculation through oral or vaginal sex). Statistical analyses of data on age, relationship length, self-reported ejaculation latency time, and frequency of different sexual activities and different modes of achieving ejaculation were conducted on a population-based sample of 3,189 males aged 18-48 years (mean = 29.9 years, standard deviation = 6.94). Age and relationship length were significantly negatively associated with self-reported ejaculation latency time. Frequency of different kinds of sexual behavior generally had a positive association with self-reported ejaculation latency time, as had different modes of achieving ejaculation. The findings highlight the need for more extensive studies on and increased knowledge of different aspects of ejaculatory function before a valid and suitable definition for premature ejaculation can be formulated.
Higuchi, Yukito
2016-01-01
Studies on growth hormone therapy in children have shown that height velocity is greater in summer than in winter and that this difference increases with latitude. It is hypothesized that summer daylight is a causative factor and that geographical distribution of body height will approximate the distribution of summer day length over time. This is an ecological analysis of prefecture-level data on the height of Japanese youth. Mesh climatic data of effective day length were collated. While height velocity was greatest during the summer, the height of Japanese youth was strongly and negatively correlated with the distribution of winter effective day length. Therefore, it is anticipated that summer height velocity is greater according to winter day length (dark period). This may be due to epigenetic modifications, involving reversible DNA methylation and thyroid hormone regulation found in the reproductive system of seasonal breeding vertebrates. If the function is applicable to humans, summer height growth may quantitatively increase with winter day length, and height growth seasonality can be explained by thyroid hormone activities that-induced by DNA methylation-change depending on the seasonal difference in day length. Moreover, geographical differences in body height may be caused by geographical differences in effective day length, which could influence melatonin secretion among subjects who spend a significant time indoors.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ngoi, Kuan Hoon; Chia, Chin-Hua, E-mail: chia@ukm.edu.my; Zakaria, Sarani
2015-09-25
We report on the effect of using reducing agents with different chain-length on the synthesis of iron oxide nanoparticles by thermal decomposition of iron (III) acetylacetonate in 1-octadecene. This modification allows us to control the shape of nanoparticles into spherical and cubic iron oxide nanoparticles. The highly monodisperse 14 nm spherical nanoparticles are obtained under 1,2-dodecanediol and average 14 nm edge-length cubic iron oxide nanoparticles are obtained under 1,2-tetradecanediol. The structural characterization such as transmission electron microscope (TEM) and X-ray diffraction (XRD) shows similar properties between two particles with different shapes. The vibrating sample magnetometer (VSM) shows no significant difference between sphericalmore » and cubic nanoparticles, which are 36 emu/g and 37 emu/g respectively and superparamagnetic in nature.« less
Differences in interfacial bond strengths of graphite fiber-epoxy resin composites
NASA Technical Reports Server (NTRS)
Needles, H. L.
1985-01-01
The effect of epoxy-size and degree of cure on the interfacial bonding of an epoxy-amine-graphite fiber composite system is examined. The role of the fiber-resin interface in determining the overall mechanical properties of composites is poorly understood. A good interfacial adhesive bond is required to achieve maximum stress transfer to the fibers in composites, but at the same time some form of energy absorbing interfacial interaction is needed to achieve high fracture toughening. The incompatibility of these two processes makes it important to understand the nature and basic factors involved at the fiber-resin interface as stress is applied. The mechanical properties including interlaminar shear values for graphite fiber-resin composites are low compared to glass and boron-resin composites. These differences have been attributed to poor fiber-matrix adhesion. Graphite fibers are commonly subjected to post-treatments including application of organic sizing in order to improve their compatibility with the resin matrix and to protect the fiber tow from damage during processing and lay-up. In such processes, sized graphite fiber tow is impregnated with epoxy resin and then layed-up i nto the appropriate configuration. Following an extended ambient temperature cure, the graphite-resin composite structure is cured at elevated temperature using a programmed temperature sequence to cure and then cool the product.
Measurement accuracy of FBG used as a surface-bonded strain sensor installed by adhesive.
Xue, Guangzhe; Fang, Xinqiu; Hu, Xiukun; Gong, Libin
2018-04-10
Material and dimensional properties of surface-bonded fiber Bragg gratings (FBGs) can distort strain measurement, thereby lowering the measurement accuracy. To accurately assess measurement precision and correct obtained strain, a new model, considering reinforcement effects on adhesive and measured object, is proposed in this study, which is verified to be accurate enough by the numerical method. Meanwhile, a theoretical strain correction factor is obtained, which is demonstrated to be significantly sensitive to recoating material and bonding length, as suggested by numerical and experimental results. It is also concluded that a short grating length as well as a thin but large-area (preferably covering the whole FBG) adhesive can enhance the correction precision.
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
Esmaeili, Behnaz; Alaghehmand, Homayoon; Shakerian, Mohadese
2015-01-01
Roughening of the aged composite resin core (CRC) surface seems essential for durable adhesion. The aim of this study was to investigate the influence of various surface treatments and different resin cements on microtensile bond strength (µ TBS) between two aged core build-up composites (CBCs) and feldspathic ceramic. A total of 16 composite blocks made of two CBCs, Core.it and Build-it were randomly assigned to four surface treatment groups after water storage and thermocycling (2 weeks and 500 cycles). Experimental groups included surface roughening with air abrasion (AA), hydrofluoric acid, pumice, and laser and then were bonded to computer-aided design/computer-aided manufacturing feldspathic ceramic blocks using two resin cements, Panavia F2 (PF), and Duo-link (DL). The µ TBS was tested, and the fracture mode was assessed. The data were analyzed with multiple analysis of variance to estimate the contribution of different surface treatments, resin cements, and two aged CRCs on µ TBS. Statistical significance level was set at α < 0.05. Surface treatment and cement type significantly affected bond strength (P < 0.001) but the type of CRC did not (P = 0.468). Between roughening methods, the highest and the lowest values of µ TBS were sequentially obtained in AA and Er.YAG laser groups. The highest bond strength was in AA group cemented with PF (31.83 MPa). The most common failure mode was cohesive fracture in the cement. Different surface treatments had different effects on µ TBS of aged CRCs to feldspathic ceramics. PF was significantly better than DL.
Shori, Deepa; Pandey, Swapnil; Kubde, Rajesh; Rathod, Yogesh; Atara, Rahul; Rathi, Shravan
2013-10-01
Fiber posts are widely used for restoration of mutilated teeth that lack adequate coronal tooth structure to retain a core for definitive restoration, bond between the fiber post and composite material depends upon the chemical reaction between the post surface and the resin material used for building up the core. In attempt to maximize the resin bonding with fiber post, different post surface conditioning is advocated. Therefore the purpose of the study is to examine the interfacial strength between fiber post and composite, as core build-up material after different surface treatments of fiber posts. Twenty fiber posts were split into four groups off five each according to different surface treatments viz. Group I-(Negative Control), Group II-Silanization (Positive control), Group III-(37% Phosphoric Acid & Silanization) ,Group IV- (10% Hydrogen Peroxide and Silanization). With the preformed plastic mould, a core of dual cure composite resin around the fiber post having the uniform thickness was created. Tensile bond strength of each specimen was measured under Universal Testing Machine (UTM) at the cross head speed of 3mm/min. The results achieved with 10% Hydrogen peroxide had a marked effect on micro tensile bond strength values between the tested materials. Immense enhancement in the silanization efficiency of quartz fiber phase was observed with different surface chemical treatment of the resin phase of fiber posts with the marked increase in the micro-tensile bond strength between fiber post and composite core. Shori D, Pandey S, Kubde R, Rathod Y, Atara R, Rathi S. To evaluate and compare the effect of different Post Surface treatments on the Tensile Bond Strength between Fiber Posts and Composite Resin. J Int Oral Health 2013; 5(5):27-32.
Cossellu, Gianguido; Lanteri, Valentina; Butera, Andrea; Sarcina, Michele; Farronato, Giampietro
2015-01-01
Objective : The aim of this study is to evaluate the effect of six different prophylactic agents on shear bond strength (SBS) of orthodontic brackets. Materials and methods : One hundred twenty-six freshly extracted mandibular bovine incisors were used. Teeth were randomly divided into 7 equal groups (18 per group) as follows: group-1 served as control with no pre-treatment; group-2 enamel treated with fluoride varnish (Fluor Protector, Ivoclar Vivadent); group-3 containing casein-phosphopeptide-amorphous calcium-phosphate (CPP-ACP) paste (GC Tooth Mousse, RECALDENT™); group-4 with ozone (HealOzone, Kavo ) ; group-5 with glycine powder (Perio Flow, EMS); group-6 with hydroxyapatite powder 99.5% (Coswell S.p.A.); group-7 with a toothpaste made of hydroxyapatite nanocrystals (BioRepair® Plus, Coswell S.p.A). Brackets were all bonded using the same technique with transbond XT (3 M Unitek, Monrovia, CA). All the bonded specimens were stored for 24 h in deionized water (37 °C) and subjected to thermal cycling for 1000 cycles. The SBS was measured with an Instron Universal Testing machine and the adhesive remnant was assessed with the adhesive remnant index (ARI) using a stereomicroscope at 10× magnification. Results : Statistical differences (ANOVA) were found among the seven investigated groups ( F = 12.226, p < 0.001). SBS of groups 2, 5 and 6 were significantly lower than the control group ( p < 0.05). ARI scores (chi-square test) were correlated with the differences of SBS values. Conclusion: CPP-ACP paste, ozone or BioRepair® did not compromise on bracket bond strength. Fluoride, glycine or hydroxyapatite significantly decreased the SBS; only the fluoride group showed significant clinically low (<6 MPa) SBS values.
NASA Astrophysics Data System (ADS)
Etim, Emmanuel E.; Gorai, Prasanta; Das, Ankan; Chakrabarti, Sandip K.; Arunan, Elangannan
2018-06-01
This paper reports the first extensive study of the existence and effects of interstellar hydrogen bonding. The reactions that occur on the surface of the interstellar dust grains are the dominant processes by which interstellar molecules are formed. Water molecules constitute about 70% of the interstellar ice. These water molecules serve as the platform for hydrogen bonding. High level quantum chemical simulations for the hydrogen bond interaction between 20 interstellar molecules (known and possible) and water are carried out using different ab-intio methods. It is evident that if the formation of these species is mainly governed by the ice phase reactions, there is a direct correlation between the binding energies of these complexes and the gas phase abundances of these interstellar molecules. Interstellar hydrogen bonding may cause lower gas abundance of the complex organic molecules (COMs) at the low temperature. From these results, ketenes whose less stable isomers that are more strongly bonded to the surface of the interstellar dust grains have been observed are proposed as suitable candidates for astronomical observations.
Acyl chain length and charge effect on Tamoxifen-lipid model membrane interactions
NASA Astrophysics Data System (ADS)
Bilge, Duygu; Kazanci, Nadide; Severcan, Feride
2013-05-01
Tamoxifen (TAM), which is an antiestrogenic agent, is widely used during chemotherapy of breast, pancreas, brain and liver cancers. In this study, TAM and model membrane interactions in the form of multilamellar vesicles (MLVs) were studied for lipids containing different acyl chain length and different charge status as a function of different TAM (1, 6, 9 and 15 mol%) concentrations. Zwitterionic lipids namely dipalmitoyl phosphatidylcholine (DPPC), and dimyristoylphosphatidylcholine (DMPC) lipids were used to see the acyl chain length effect and anionic dipalmitoyl phosphtidylglycerol (DPPG) lipid was used to see the charge effect. For this purpose Fourier transform-infrared (FTIR) spectroscopic and differential scanning calorimetric (DSC) techniques have been conducted. For zwitterionic lipid, concentration dependent different action of TAM was observed both in the gel and liquid crystalline phases by significantly increasing the lipid order and decreasing the dynamics for 1 mol% TAM, while decreasing the lipid order and increasing the dynamics of the lipids for higher concentrations (6, 9 and 15 mol%). However, different than neutral lipids, the dynamics and disorder of DPPG liposome increased for all TAM concentrations. The interactions between TAM and head group of multilamellar liposomes was monitored by analyzing the Cdbnd O stretching and PO2- antisymmetric double bond stretching bands. Increasing Tamoxifen concentrations led to a dehydration around these functional groups in the polar part of the lipids. DSC studies showed that for all types of lipids, TAM eliminates the pre-transition, shifts the main phase transition to lower temperatures and broadened the phase transition curve. The results indicate that not the acyl chain length but the charge status of the polar head group induces different effects on lipid membranes order and dynamics.
Shear Bond Strength of Three Orthodontic Bonding Systems on Enamel and Restorative Materials
Ebeling, Jennifer; Schauseil, Michael; Stein, Steffen; Roggendorf, Matthias; Korbmacher-Steiner, Heike
2016-01-01
Objective. The aim of this in vitro study was to determine the shear bond strength (SBS) and adhesive remnant index (ARI) score of two self-etching no-mix adhesives (iBond™ and Scotchbond™) on different prosthetic surfaces and enamel, in comparison with the commonly used total etch system Transbond XT™. Materials and Methods. A total of 270 surfaces (1 enamel and 8 restorative surfaces, n = 30) were randomly divided into three adhesive groups. In group 1 (control) brackets were bonded with Transbond XT primer. In the experimental groups iBond adhesive (group 2) and Scotchbond Universal adhesive (group 3) were used. The SBS was measured using a Zwicki 1120™ testing machine. The ARI and SBS were compared statistically using the Kruskal–Wallis test (P ≤ 0.05). Results. Significant differences in SBS and ARI were found between the control group and experimental groups. Conclusions. Transbond XT showed the highest SBS on human enamel. Scotchbond Universal on average provides the best bonding on all other types of surface (metal, composite, and porcelain), with no need for additional primers. It might therefore be helpful for simplifying bonding in orthodontic procedures on restorative materials in patients. If metal brackets have to be bonded to a metal surface, the use of a dual-curing resin is recommended. PMID:27738633
Almeida e Silva, J S; Rolla, Juliana Nunes; Baratieri, Luiz Narciso; Monteiro, Sylvio
2011-01-01
The aim of this in vitro study was to evaluate the microtensile bond strength (µTBS) of a low-shrink silorane-based composite (Filtek Silorane) and a methacrylate-based composite (Filtek Z250) to the bottom dentin of a Class I cavity using different placement techniques. Twelve third molars were used. Standard, box-type Class I cavities (6.0 x 4.0 x 2.5 mm) were prepared at the occlusal crown center, with the pulpal floor ending approximately at the midcoronal dentin. The teeth were then randomly divided into four groups, according to each placement technique: ZI--Filtek Z250 placed incrementally; ZB--Filtek Z250 placed in bulk; SI--Filtek Silorane placed incrementally; and SB--Filtek Silorane placed in bulk. Each restored third molar was subjected to microtensile bond testing after 24 hours of storage in distilled water at 37 degrees C. After storage, each molar was longitudinally sectioned in both axes to obtain rectangular sticks with an approximate 0.49 mm2 cross-sectional area. Data were analyzed by one-way ANOVA followed by a Tukey post hoc test (P = 0.05). After debonding, the failure modes were analyzed using a stereomicroscope. The ZI group (72.6 MPa) showed the highest µTBS, followed by the ZB group (60.2 MPa), while the SI (34.4 MPa) and SB (42.6 MPa) groups demonstrated statistically significant lower bond strengths. The type of placement technique did not influence the µTBS of silorane-based composites to the bottom dentin of Class I cavities. The methacrylate-based composite showed superior performance, regardless of the placement technique.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhovtobriukh, Iurii; Besley, Nicholas A.; Fransson, Thomas
Here, the connection between specific features in the water X-ray absorption spectrum and X-ray emission spectrum (XES) and the local H-bond coordination is studied based on structures obtained from path-integral molecular dynamics simulations using either the opt-PBE-vdW density functional or the MB-pol force field. Computing the XES spectrum using all molecules in a snapshot results in only one peak in the lone-pair (1b 1) region, while the experiment shows two peaks separated by 0.8-0.9 eV. Different H-bond configurations were classified based on the local structure index (LSI) and a geometrical H-bond cone criterion. We find that tetrahedrally coordinated molecules characterizedmore » by high LSI values and two strong donated and two strong accepted H-bonds contribute to the low energy 1b 1 emission peak and to the post-edge region in absorption. Molecules with the asymmetric H-bond environment with one strong accepted H-bond and one strong donated H-bond and low LSI values give rise to the high energy 1b 1 peak in the emission spectrum and mainly contribute to the pre-edge and main-edge in the absorption spectrum. The 1b 1 peak splitting can be increased to 0.62 eV by imposing constraints on the H-bond length, i.e., for very tetrahedral structures short H-bonds (less than 2.68 Å) and for very asymmetric structures elongated H-bonds (longer than 2.8 Å). Such structures are present, but underrepresented, in the simulations which give more of an average of the two extremes.« less
Zhovtobriukh, Iurii; Besley, Nicholas A.; Fransson, Thomas; ...
2018-04-14
Here, the connection between specific features in the water X-ray absorption spectrum and X-ray emission spectrum (XES) and the local H-bond coordination is studied based on structures obtained from path-integral molecular dynamics simulations using either the opt-PBE-vdW density functional or the MB-pol force field. Computing the XES spectrum using all molecules in a snapshot results in only one peak in the lone-pair (1b 1) region, while the experiment shows two peaks separated by 0.8-0.9 eV. Different H-bond configurations were classified based on the local structure index (LSI) and a geometrical H-bond cone criterion. We find that tetrahedrally coordinated molecules characterizedmore » by high LSI values and two strong donated and two strong accepted H-bonds contribute to the low energy 1b 1 emission peak and to the post-edge region in absorption. Molecules with the asymmetric H-bond environment with one strong accepted H-bond and one strong donated H-bond and low LSI values give rise to the high energy 1b 1 peak in the emission spectrum and mainly contribute to the pre-edge and main-edge in the absorption spectrum. The 1b 1 peak splitting can be increased to 0.62 eV by imposing constraints on the H-bond length, i.e., for very tetrahedral structures short H-bonds (less than 2.68 Å) and for very asymmetric structures elongated H-bonds (longer than 2.8 Å). Such structures are present, but underrepresented, in the simulations which give more of an average of the two extremes.« less
Nondestructive Evaluation of Adhesively Bonded Joints
NASA Technical Reports Server (NTRS)
Nayeb-Hashemi, Hamid; Rossettos, J. N.
1997-01-01
The final report consists of 5 published papers in referred journals and a technical letter to the technical monitor. These papers include the following: (1) Comparison of the effects of debonds and voids in adhesive; (2) On the peak shear stresses in adhesive joints with voids; (3) Nondestructive evaluation of adhesively bonded joints by acousto-ultrasonic technique and acoustic emission; (4) Multiaxial fatigue life evaluation of tubular adhesively bonded joints; (5) Theoretical and experimental evaluation of the bond strength under peeling loads. The letter outlines the progress of the research. Also included is preliminary information on the study of nondestructive evaluation of composite materials subjected to localized heat damage. The investigators studied the effects of localized heat on unidirectional fiber glass epoxy composite panels. Specimens of the fiber glass epoxy composites were subjected to 400 C heat for varying lengths of time. The specimens were subjected to nondestructive tests. The specimens were then pulled to their failure and acoustic emission of these specimens were measured. The analysis of the data was continuing as of the writing of the letter, and includes a finite element stress analysis of the problem.
Pires, Patrícia T; Ferreira, João C; Oliveira, Sofia A; Azevedo, Alvaro F; Dias, Walter R; Melo, Paulo R
2013-01-01
Early observations of enamel surfaces prepared by erbium lasers motivated clinicians to use laser as an alternative to chemical etching. Evaluate shear bond strength (SBS) values of different dental adhesives on Erbium:Yttrium Aluminum Garnet (Er:YAG) laser prepared enamel and to evaluate possible etching patterns correlations between dental adhesives and SBS values. One hundred bovine incisors were randomly assigned to SBS tests on enamel (n = 15) and to enamel morphology analysis (n = 5) after Er:YAG laser preparation as follows: Group I - 37% phosphoric acid (PA)+ ExciTE(®); Group II - ExciTE(®); Group III - AdheSE(®) self-etching; Group IV - FuturaBond(®) no-rinse. NR; Group V - Xeno(®) V. Teeth were treated with the adhesive systems and subjected to thermal cycling. SBS were performed in a universal testing machine at 5 mm/min. One-way ANOVA and post-hoc tests (P < 0.05). For the morphology evaluation, specimens were immersed in Ethylenediamine tetraacetic acid (EDTA) and the etching pattern analyzed under Scanning Electron Microscope (SEM). Mean bond strengths were Group I - 47.17 ± 1.61 MPa (type I etching pattern); Group II - 32.56 ± 1.64 MPa, Group III - 29.10 ± 1.34 MPa, Group IV - 23.32 ± 1.53 MPa (type III etching pattern); Group V - 24.43 MPa ± 1.55 (type II etching pattern). Different adhesive systems yielded significantly different SBSs. Acid etching significantly increased the adhesion in laser treated enamel. No differences in SBS values were obtained between AdheSE(®) and ExciTE(®) without condition with PA. FuturaBond(®) NR and Xeno(®) V showed similar SBS, which was lower in comparison to the others adhesives. No correlation between enamel surface morphology and SBS values was observed, except when PA was used.
Ouchi, H; Tsujimoto, A; Nojiri, K; Hirai, K; Takamizawa, T; Barkmeier, W W; Latta, M A; Miyazaki, M
The purpose of this study was to evaluate the effect of the oxygen inhibition layer of universal adhesive on enamel bond fatigue durability and interfacial characteristics with different etching modes. The three universal adhesives used were Scotchbond Universal Adhesive (3M ESPE, St Paul, MN, USA), Adhese Universal (Ivoclar Vivadent, Schaan, Lichtenstein), and G-Premio Bond (GC, Tokyo, Japan). The initial shear bond strength and shear fatigue strength to enamel was determined in the presence and absence of the oxygen inhibition layer, with and without phosphoric acid pre-etching. The water contact angle was also measured in all groups using the sessile drop method. The enamel bonding specimens with an oxygen inhibition layer showed significantly higher (p<0.05) initial shear bond strengths and shear fatigue strengths than those without, regardless of the adhesive type and etching mode. Moreover, the water contact angles on the specimens with an oxygen inhibition layer were significantly lower (p<0.05) than on those without, regardless of etching mode. The results of this study suggest that the oxygen inhibition layer of universal adhesives significantly increases the enamel bond fatigue durability and greatly changes interfacial characteristics, suggesting that the bond fatigue durability and interfacial characteristics of these adhesives strongly rely on its presence.
Okubo, Hirotaka; Kusano, Nozomu; Kinjo, Masaki; Kanaya, Fuminori
2015-01-01
In multi-strand suture methods consisting of several suture rows, the different length of core suture purchase between each suture row may affect the strength of repairs. We evaluated the influence of the different length of core suture purchase between each suture row on the strength of 6-strand tendon repairs. Rabbit flexor tendons were repaired by using a triple-looped suture technique in which the suture purchase length in each suture row was modified. Group 1, all lengths are 8-mm. Group 2, all lengths are 10-mm. Group 3, two are 10-mm and one is 8-mm. Group 4, one is 10-mm and two are 8-mm. The repaired tendons were subjected to load-to-failure test. The gap strength was significantly greater in Group 1 and Group 2 than in Group 3 and Group 4. This study demonstrates that maintaining equal core suture purchase lengths of each suture row increases the gap resistance.
Abhayawardhana, Pramuditha L; Marzilli, Patricia A; Fronczek, Frank R; Marzilli, Luigi G
2014-01-21
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 = (186/188)Re, (99m)Tc) 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 base and create relatively rigid chelate rings, raising the possibility that the rare M-N(sulfonamide) bond is an artifact of a restricted geometry. Also, the hydrophobic 2-pyridyl groups could cause undesirable accumulation in the liver, limiting future use in radiopharmaceuticals. Our goal is to identify a robust, hydrophilic, and flexible N(CH2Z)2 chelate framework. New C2-symmetric ligands, N(SO2R)(CH2Z)2 with (Z = CH2NH2; R = Me, dmb, or tol), were prepared by treating N(H)dien(Boc)2, a protected diethylenetriamine (N(H)dien) derivative, with methanesulfonyl chloride (MeSO2Cl), 3,5-dimethylbenzenesulfonyl chloride (dmbSO2Cl), and 4-methylbenzenesulfonyl chloride (tolSO2Cl). Treatment of fac-[Re(CO)3(H2O)3](+) with these ligands, designated as N(SO2R)dien, afforded new fac-[Re(CO)3(N(SO2R)dien)]PF6 complexes. Comparing the fac-[Re(CO)3(N(SO2Me)dien)]PF6 and fac-[Re(CO)3(N(SO2Me)dpa)]PF6 complexes, we find that the Re(I)-N(sulfonamide) bonds are normal in length and statistically identical and that the methyl (13)C NMR signal has an unusually upfield shift compared to that in the free ligand. We attribute this unusual upfield shift to the fact that the sulfonamide N undergoes an sp(2)-to-sp(3) rehybridization upon coordination to Re(I) in both complexes. Thus, the sulfonamide N of N(SO2R)dien ligands is a good donor, even though the chelate rings are conformationally flexible. Addition of the strongly basic and potentially monodentate ligand, 4-dimethylaminopyridine
H, Farhadpour; F, Sharafeddin; Sc, Akbarian; B, Azarian
2016-01-01
Statement of Problem: Hemostatic agents may affect the micro-leakage of different adhesive systems. Also, chlorhexidine has shown positive effects on micro-leakage. However, their interaction effect has not been reported yet. Objectives: To evaluate the effect of contamination with a hemostatic agent on micro-leakage of total- and self-etching adhesive systems and the effect of chlorhexidine application after the removal of the hemostatic agent. Materials and Methods: Standardized Class V cavity was prepared on each of the sixty caries free premolars at the cemento-enamel junction, with the occlusal margin located in enamel and the gingival margin in dentin. Then, the specimens were randomly divided into 6 groups (n = 10) according to hemostatic agent (H) contamination, chlorhexidine (CHX) application, and the type of adhesive systems (Adper Single Bond and Clearfil SE Bond) used. After filling the cavities with resin composite, the root apices were sealed with utility wax. Furthermore, all the surfaces, except for the restorations and 1mm from the margins, were covered with two layers of nail varnish. The teeth were immersed in a 0.5% basic fuschin dye for 24 hours, rinsed, blot-dried and sectioned longitudinally through the center of the restorations bucco- lingualy. The sections were examined using a stereomicroscope and the extension of dye penetration was analyzed according to a non-parametric scale from 0 to 3. Statistical analysis was performed using Kruskal-Wallis test and Mann-Whitney U-test. Results: While ASB group showed no micro-leakage in enamel, none of the groups showed complete elimination of micro-leakage from the dentin. Regarding micro-leakage at enamel, and dentin margins, there was no significant difference between groups 1 and 2, 1 and 3, and 2 and 3 (p > 0.05). A significantly lower micro-leakage at the enamel and dentin margins was observed in group 3, compared to group 6. No significant difference was observed between groups 4 and 5 in
Advanced Statistical Analyses to Reduce Inconsistency of Bond Strength Data.
Minamino, T; Mine, A; Shintani, A; Higashi, M; Kawaguchi-Uemura, A; Kabetani, T; Hagino, R; Imai, D; Tajiri, Y; Matsumoto, M; Yatani, H
2017-11-01
This study was designed to clarify the interrelationship of factors that affect the value of microtensile bond strength (µTBS), focusing on nondestructive testing by which information of the specimens can be stored and quantified. µTBS test specimens were prepared from 10 noncarious human molars. Six factors of µTBS test specimens were evaluated: presence of voids at the interface, X-ray absorption coefficient of resin, X-ray absorption coefficient of dentin, length of dentin part, size of adhesion area, and individual differences of teeth. All specimens were observed nondestructively by optical coherence tomography and micro-computed tomography before µTBS testing. After µTBS testing, the effect of these factors on µTBS data was analyzed by the general linear model, linear mixed effects regression model, and nonlinear regression model with 95% confidence intervals. By the general linear model, a significant difference in individual differences of teeth was observed ( P < 0.001). A significantly positive correlation was shown between µTBS and length of dentin part ( P < 0.001); however, there was no significant nonlinearity ( P = 0.157). Moreover, a significantly negative correlation was observed between µTBS and size of adhesion area ( P = 0.001), with significant nonlinearity ( P = 0.014). No correlation was observed between µTBS and X-ray absorption coefficient of resin ( P = 0.147), and there was no significant nonlinearity ( P = 0.089). Additionally, a significantly positive correlation was observed between µTBS and X-ray absorption coefficient of dentin ( P = 0.022), with significant nonlinearity ( P = 0.036). A significant difference was also observed between the presence and absence of voids by linear mixed effects regression analysis. Our results showed correlations between various parameters of tooth specimens and µTBS data. To evaluate the performance of the adhesive more precisely, the effect of tooth variability and a method to reduce
Finger length ratios (2D:4D) in anthropoids implicate reduced prenatal androgens in social bonding.
Nelson, Emma; Shultz, Susanne
2010-03-01
The second-to-fourth digit ratio (2D:4D) has been proposed as a biomarker reflecting prenatal androgen effects (PAE), such that individuals with lower ratios have experienced higher PAE than those with higher ratios. 2D:4D has been correlated with a number of sex-linked traits in humans such as aggression, promiscuity, and competitiveness. In addition, polygynous societies reportedly have lower 2D:4D (higher PAE) than more monogamous populations. This evidence suggests that PAE may be implicated in the development of sexually selected behaviors in humans. To place 2D:4D research into a broader context, we test the relationship between digit ratios and behavior across nonhuman anthropoids; polygynous species, with higher levels of intrasexual competition, should have more pronounced markers of PAE (lower 2D:4D) than pair-bonded species. Our results accord with those found in humans: 2D:4D is lower in polygynous species and higher (lower PAE) in pair-bonded species. Old World monkeys have low, and relatively invariant 2D:4D (high PAE), which is coupled with high levels of intrasexual competition. This contrasts with higher and more variable ratios in both great apes and New World monkeys. In addition, both male and female ratios decrease with increasing levels of intrasexual competition. Human ratios are intermediate between pair-bonded and more promiscuous hominoids. We propose that PAE may be involved in promoting species characteristic social behavior in anthropoids.
Chon, HeeCheong; Sawyer, Jean; Ambrose, Nicoline G.
2014-01-01
Purpose The purpose of this study was to investigate characteristics of four types of utterances in preschool children who stutter: perceptually fluent, containing normal disfluencies (OD utterance), containing stuttering-like disfluencies (SLD utterance), and containing both normal and stuttering-like disfluencies (SLD+OD utterance). Articulation rate and length of utterance were measured to seek the differences. Because articulation rate may reflect temporal aspects of speech motor control, it was predicted that the articulation rate would be different between perceptually fluent utterances and utterances containing disfluencies. The length of utterance was also expected to show different patterns. Method Participants were 14 preschool children who stutter. Disfluencies were identified from their spontaneous speech samples, and articulation rate in syllables per second and utterance length in syllables were measured for the four types of utterances. Results and discussion There was no significant difference in articulation rate between each type of utterance. Significantly longer utterances were found only in SLD+OD utterances compared to fluent utterances, suggesting that utterance length may be related to efforts in executing motor as well as linguistic planning. The SLD utterance revealed a significant negative correlation in that longer utterances tended to be slower in articulation rates. Longer utterances may place more demand on speech motor control due to more linguistic and/or grammatical features, resulting in stuttering-like disfluencies and a decreased rate. PMID:22995336
Naik, Amarja P; Salkar, Akshay V; Majik, Mahesh S; Morajkar, Pranay P
2017-07-01
The photocatalytic degradation mechanism of Amaranth, a recalcitrant carcinogenic azo dye, was investigated using mesoporous anatase TiO 2 under sunlight. Mesoporous anatase TiO 2 of a high photocatalytic activity has been synthesized using a sol-gel method and its photocatalytic activity for the degradation of Amaranth dye has been evaluated with respect to Degussa P25. The effect of bi-dentate complexing agents like oxalic acid, ethylene glycol and urea on the surface properties of TiO 2 catalyst has been investigated using TG-DTA, FTIR, HR-TEM, SAED, PXRD, EDS, UV-DRS, PL, BET N 2 adsorption-desorption isotherm studies and BJH analysis. The influence of catalyst properties such as the mesoporous network, pore volume and surface area on the kinetics of degradation of Amaranth as a function of irradiation time under natural sunlight has been monitored using UV-Vis spectroscopy. The highest rate constant value of 0.069 min -1 was obtained for the photocatalytic degradation of Amaranth using TiO 2 synthesized via a urea assisted sol-gel synthesis method. The effect of the reaction conditions such as pH, TiO 2 concentration and Amaranth concentration on the photodegradation rate has been investigated. The enhanced photocatalytic activity of synthesized TiO 2 in comparison with P25 is attributed to the mesoporous nature of the catalyst leading to increased pore diameter, pore volume, surface area and enhanced charge carrier separation efficiency. New intermediates of photocatalytic degradation of Amaranth, namely, sodium-3-hydroxynaphthalene-2,7-disulphonate, 3-hydroxynaphthalene, sodium-4-aminonaphthalenesulphonate and sodium-4-aminobenzenesulphonate have been identified using LC-ESI-MS for the very first time, providing direct evidence for simultaneous bond cleavage pathways (-C-N-) and (-N[double bond, length as m-dash]N-). A new plausible mechanism of TiO 2 catalysed photodegradation of Amaranth along with the comparison of its toxicity to that of its degradation
A tensegrity model for hydrogen bond networks in proteins.
Bywater, Robert P
2017-05-01
Hydrogen-bonding networks in proteins considered as structural tensile elements are in balance separately from any other stabilising interactions that may be in operation. The hydrogen bond arrangement in the network is reminiscent of tensegrity structures in architecture and sculpture. Tensegrity has been discussed before in cells and tissues and in proteins. In contrast to previous work only hydrogen bonds are studied here. The other interactions within proteins are either much stronger - covalent bonds connecting the atoms in the molecular skeleton or weaker forces like the so-called hydrophobic interactions. It has been demonstrated that the latter operate independently from hydrogen bonds. Each category of interaction must, if the protein is to have a stable structure, balance out. The hypothesis here is that the entire hydrogen bond network is in balance without any compensating contributions from other types of interaction. For sidechain-sidechain, sidechain-backbone and backbone-backbone hydrogen bonds in proteins, tensegrity balance ("closure") is required over the entire length of the polypeptide chain that defines individually folding units in globular proteins ("domains") as well as within the repeating elements in fibrous proteins that consist of extended chain structures. There is no closure to be found in extended structures that do not have repeating elements. This suggests an explanation as to why globular domains, as well as the repeat units in fibrous proteins, have to have a defined number of residues. Apart from networks of sidechain-sidechain hydrogen bonds there are certain key points at which this closure is achieved in the sidechain-backbone hydrogen bonds and these are associated with demarcation points at the start or end of stretches of secondary structure. Together, these three categories of hydrogen bond achieve the closure that is necessary for the stability of globular protein domains as well as repeating elements in fibrous proteins.
Influence of dentin pretreatment on bond strength of universal adhesives.
Poggio, Claudio; Beltrami, Riccardo; Colombo, Marco; Chiesa, Marco; Scribante, Andrea
2017-01-01
Objective: The purpose of the present study was to compare bond strength of different universal adhesives under three different testing conditions: when no pretreatment was applied, after 37% phosphoric acid etching and after glycine application. Materials and methods: One hundred and fifty bovine permanent mandibular incisors were used as a substitute for human teeth. Five different universal adhesives were tested: Futurabond M+, Scotchbond Universal, Clearfil Universal Bond, G-Premio BOND, Peak Universal Bond. The adhesive systems were applied following each manufacturer's instructions. The teeth were randomly assigned to three different dentin surface pretreatments: no pretreatment agent (control), 37% phosphoric acid etching, glycine pretreatment. The specimens were placed in a universal testing machine in order to measure and compare bond strength values. Results: The Kruskal-Wallis analysis of variance and the Mann-Whitney test were applied to assess significant differences among the groups. Dentin pretreatments provided different bond strength values for the adhesives tested, while similar values were registered in groups without dentin pretreatment. Conclusions: In the present report, dentin surface pretreatment did not provide significant differences in shear bond strength values of almost all groups. Acid pretreatment lowered bond strength values of Futurabond and Peak Universal Adhesives, whereas glycine pretreatment increased bond strength values of G Praemio Bond adhesive system.
Influence of dentin pretreatment on bond strength of universal adhesives
Poggio, Claudio; Beltrami, Riccardo; Colombo, Marco; Chiesa, Marco; Scribante, Andrea
2017-01-01
Abstract Objective: The purpose of the present study was to compare bond strength of different universal adhesives under three different testing conditions: when no pretreatment was applied, after 37% phosphoric acid etching and after glycine application. Materials and methods: One hundred and fifty bovine permanent mandibular incisors were used as a substitute for human teeth. Five different universal adhesives were tested: Futurabond M+, Scotchbond Universal, Clearfil Universal Bond, G-Premio BOND, Peak Universal Bond. The adhesive systems were applied following each manufacturer’s instructions. The teeth were randomly assigned to three different dentin surface pretreatments: no pretreatment agent (control), 37% phosphoric acid etching, glycine pretreatment. The specimens were placed in a universal testing machine in order to measure and compare bond strength values. Results: The Kruskal–Wallis analysis of variance and the Mann–Whitney test were applied to assess significant differences among the groups. Dentin pretreatments provided different bond strength values for the adhesives tested, while similar values were registered in groups without dentin pretreatment. Conclusions: In the present report, dentin surface pretreatment did not provide significant differences in shear bond strength values of almost all groups. Acid pretreatment lowered bond strength values of Futurabond and Peak Universal Adhesives, whereas glycine pretreatment increased bond strength values of G Praemio Bond adhesive system. PMID:28642929
Validating a Mentoring Relationship Quality Scale: Does Match Strength Predict Match Length?
ERIC Educational Resources Information Center
Rhodes, Jean E.; Schwartz, Sarah E. O.; Willis, Margaret M.; Wu, Max B.
2017-01-01
Youth mentoring relationships have significant potential for promoting positive youth development. Nonetheless, the benefits derived from such relationships depend considerably on the length and quality of the bonds that are created between mentors and youth. Although some attention has been paid to youth's experience of relationship quality, few…
Zhu, Shujin; Liu, Cuiling; Zheng, Zheng; Yang, Liyuan; Gao, Xu
2015-06-01
To evaluate the influence of eugenol-containing and resin-containing endodontic sealers on the bond strength of fiber posts using different strategies of root canal irrigation. Forty-eight mandibular premolars were endodontically treated. The specimens were randomly assigned into two groups according to different endodontic sealers. Group A used Endofil (eugenol-containing endodontic sealer), and group B used AH-plus (resin-containing endodontic sealer). After post space preparation, each group was randomly assigned into three subgroups according to the strategies of root canal irrigation (eight premolars in each subgroup). Group Al and B1: 0.9%NaCl irrigation; Group A2 and B2: 17% ethylene diamine tetraacetic acid (EDTA)+5.25%NaClO+0.9%NaCl irrigation; Group A3 and B3: ultrasonic agitation associated with 1 7%EDTA+5.25%NaClO+0.9%NaCl. One week after the cementation of fiber posts using RelyX™ Unicem, a push-out test was performed to measure the bond strength of the posts. The microstructure of the root canal surface was examined under scanning electron microscope (SEM). The bond strengths of the six groups were as follows: Al (7.96±2.23) MPa, A2 (9.95±2.89) MPa, A3 (18.88±3.69) MPa, B1 (11.41±3.71) MPa, B2 (14.00±4.04) MPa, and B3 (19.14±3.27) MPa. Statistical analysis revealed a significant interaction between the different endodontic sealers and the strategies of root canal irrigation (P<0.05). Lower bond strength was found in group Al but not in group BI (P<0.05), and the same result was revealed when comparing group A2 and B2. No significant difference was observed between group A3 and B3 (P>0.05). SEM showed that the root canal in group A3 and B3 achieved the cleanest surface with nearly all dentine tubules opened. The eugenol-containing endodontic sealer can impair the bond strength of fiber posts compared with the resin-containing sealer when the root canal is irrigated by 0.9% NaCl or 17%EDTA+5.25%NaClO+0.9%NaC. No difference was observed between
Hydroperoxides as Hydrogen Bond Donors
NASA Astrophysics Data System (ADS)
Møller, Kristian H.; Tram, Camilla M.; Hansen, Anne S.; Kjaergaard, Henrik G.
2016-06-01
Hydroperoxides are formed in the atmosphere following autooxidation of a wide variety of volatile organics emitted from both natural and anthropogenic sources. This raises the question of whether they can form hydrogen bonds that facilitate aerosol formation and growth. Using a combination of Fourier transform infrared spectroscopy, FT-IR, and ab initio calculations, we have compared the gas phase hydrogen bonding ability of tert-butylhydroperoxide (tBuOOH) to that of tert-butanol (tBuOH) for a series of bimolecular complexes with different acceptors. The hydrogen bond acceptor atoms studied are nitrogen, oxygen, phosphorus and sulphur. Both in terms of calculated redshifts and binding energies (BE), our results suggest that hydroperoxides are better hydrogen bond donors than the corresponding alcohols. In terms of hydrogen bond acceptor ability, we find that nitrogen is a significantly better acceptor than the other three atoms, which are of similar strength. We observe a similar trend in hydrogen bond acceptor ability with other hydrogen bond donors including methanol and dimethylamine.
Effect of quantum nuclear motion on hydrogen bonding
NASA Astrophysics Data System (ADS)
McKenzie, Ross H.; Bekker, Christiaan; Athokpam, Bijyalaxmi; Ramesh, Sai G.
2014-05-01
This work considers how the properties of hydrogen bonded complexes, X-H⋯Y, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (X) and acceptor (Y) have the same proton affinity, is carried out. For quantitative comparisons, a parametrization specific to the O-H⋯O complexes is used. The vibrational energy levels of the one-dimensional ground state adiabatic potential of the model are used to make quantitative comparisons with a vast body of condensed phase data, spanning a donor-acceptor separation (R) range of about 2.4 - 3.0 Å, i.e., from strong to weak hydrogen bonds. The position of the proton (which determines the X-H bond length) and its longitudinal vibrational frequency, along with the isotope effects in both are described quantitatively. An analysis of the secondary geometric isotope effect, using a simple extension of the two-state model, yields an improved agreement of the predicted variation with R of frequency isotope effects. The role of bending modes is also considered: their quantum effects compete with those of the stretching mode for weak to moderate H-bond strengths. In spite of the economy in the parametrization of the model used, it offers key insights into the defining features of H-bonds, and semi-quantitatively captures several trends.
Samadi, Firoza; Jaiswal, JN; Saha, Sonali
2014-01-01
ABSTRACT% Aim: To compare the effect of different chemical solvents on glass fiber reinforced posts and to study the effect of these solvents on the shear bond strength of glass fiber reinforced post to core material. Materials and methods: This study was conducted to evaluate the effect of three chemical solvents, i.e. silane coupling agent, 6% H2O2 and 37% phosphoric acid on the shear bond strength of glass fiber post to a composite resin restorative material. The changes in post surface characteristics after different treatments were also observed, using scanning electron microscopy (SEM) and shear bond strength was analyzed using universal testing machine (UTM). Results: Surface treatment with hydrogen peroxide had greatest impact on the post surface followed by 37% phosphoric acid and silane. On evaluation of the shear bond strength, 6% H2O2 exhibited the maximum shear bond strength followed in descending order by 37% phosphoric acid and silane respectively. Conclusion: The surface treatment of glass fiber post enhances the adhesion between the post and composite resin which is used as core material. Failure of a fiber post and composite resin core often occurs at the junction between the two materials. This failure process requires better characterization. How to cite this article: Sharma A, Samadi F, Jaiswal JN, Saha S. A Comparative Evaluation of Effect of Different Chemical Solvents on the Shear Bond Strength of Glass Fiber Reinforced Post to Core Material. Int J Clin Pediatr Dent 2014;7(3):192-196. PMID:25709300
Hydrogen bonding in ionic liquids.
Hunt, Patricia A; Ashworth, Claire R; Matthews, Richard P
2015-03-07
Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic and aprotic) are bifurcated and chelating, and unlike many molecular liquids a significant variety of distinct H-bonds are formed between different types and numbers of donor and acceptor sites within a given IL. Traditional more neutral H-bonds can also be formed in functionalised ILs, adding a further level of complexity. Ab initio computed parameters; association energies, partial charges, density descriptors as encompassed by the QTAIM methodology (ρBCP), qualitative molecular orbital theory and NBO analysis provide established and robust mechanisms for understanding and interpreting traditional neutral and ionic H-bonds. In this review the applicability and extension of these parameters to describe and quantify the doubly ionic H-bond has been explored. Estimating the H-bonding energy is difficult because at a fundamental level the H-bond and ionic interaction are coupled. The NBO and QTAIM methodologies, unlike the total energy, are local descriptors and therefore can be used to directly compare neutral, ionic and doubly ionic H-bonds. The charged nature of the ions influences the ionic characteristics of the H-bond and vice versa, in addition the close association of the ions leads to enhanced orbital overlap and covalent contributions. The charge on the ions raises the energy of the Ylp and lowers the energy of the X-H σ* NBOs resulting in greater charge transfer, strengthening the H-bond. Using this range of parameters and comparing doubly ionic H-bonds to more traditional neutral and ionic H-bonds it is clear that doubly ionic H-bonds cover the full range of weak
Interfacial characterization of Al-Al thermocompression bonds
DOE Office of Scientific and Technical Information (OSTI.GOV)
Malik, N., E-mail: nishantmalik1987@gmail.com; SINTEF ICT, Department of Microsystems and Nanotechnology, P.O. Box 124 Blindern, N-0314 Oslo; Carvalho, P. A.
2016-05-28
Interfaces formed by Al-Al thermocompression bonding were studied by the transmission electron microscopy. Si wafer pairs having patterned bonding frames were bonded using Al films deposited on Si or SiO{sub 2} as intermediate bonding media. A bond force of 36 or 60 kN at bonding temperatures ranging from 400–550 °C was applied for a duration of 60 min. Differences in the bonded interfaces of 200 μm wide sealing frames were investigated. It was observed that the interface had voids for bonding with 36 kN at 400 °C for Al deposited both on Si and on SiO{sub 2}. However, the dicing yield was 33% for Al onmore » Si and 98% for Al on SiO{sub 2}, attesting for the higher quality of the latter bonds. Both a bond force of 60 kN applied at 400 °C and a bond force of 36 kN applied at 550 °C resulted in completely bonded frames with dicing yields of, respectively, 100% and 96%. A high density of long dislocations in the Al grains was observed for the 60 kN case, while the higher temperature resulted in grain boundary rotation away from the original Al-Al interface towards more stable configurations. Possible bonding mechanisms and reasons for the large difference in bonding quality of the Al films deposited on Si or SiO{sub 2} are discussed.« less
Demiryürek, Ebru Ozsezer; Külünk, Safak; Saraç, Duygu; Yüksel, Gözde; Bulucu, Bilinç
2009-08-01
The purpose of this study was to evaluate the effects of different surface treatments on the bond strength of a fiber post to dentin. Sixty extracted human maxillary incisor teeth were manually shaped with K-files using the step-back technique. ISO size 45 files were used as master apical files. Post spaces were prepared and then the root canals were subjected to one of the following 5 surface treatments: irrigation with 5% sodium hypochlorite (NaOCl); treatment with ethanol, ethyl acetate, and acetone-based cleansing agent (Sikko Tim); irrigation with 17% EDTA; etching with 37% orthophosphoric acid for 15 seconds; and etching with 10% citric acid for 15 seconds. Fiber posts were luted using self-etching/self-priming dual polymerized resin cement. From the coronal part of each root, 3 slides of 0.6-mm thickness were obtained. A push-out bond strength test was performed by a universal testing machine at a crosshead speed of 0.5 mm/min. Dentin surfaces were examined under scanning electron microscopy (SEM) after different surface treatments. Data were analyzed with a one-way analysis of variance (ANOVA) and Tukey HSD test. ANOVA revealed that canal surface treatment affected the bond strength (P < .001). The highest bond strength was obtained in the Sikko Tim group. The results also showed that surface treatment methods increased the bond strength to dentin when compared with the control group. Sikko Tim group was the more effective surface treatment agent compared with EDTA, orthophosphoric acid, citric acid, and control groups; however, it could not remove the smear layer and sealer remnants effectively on radicular dentin surfaces. Removal of the smear layer and opening of dentinal tubules are not recommended when a self-etching/self-priming adhesive system is used.
Kaleli, Necati; Saraç, Duygu
2017-07-01
Most studies evaluating dental laser sintering systems have focused on the marginal accuracy of the restorations. However, the bond strength at the metal-ceramic interface is another important factor that affects the survival of restorations, and currently, few studies focus on this aspect. The purpose of this in vitro study was to compare the porcelain bond strength of cobalt-chromium (Co-Cr) metal frameworks prepared by using the conventional lost-wax technique, milling, direct metal laser sintering (DMLS), and laser cusing, a direct process powder-bed system. A total of 96 metal frameworks (n=24 in each group) were prepared by using conventional lost-wax (group C), milling (group M), DMLS (group LS), and direct process powder-bed (group LC) methods according to International Organization for Standardization standard ISO 9693-1. After porcelain application, a 3-point bend test was applied to each specimen by using a universal testing machine. Data were statistically analyzed using 1-way ANOVA and Tukey honest significant difference tests (α=.05). Failure types at the metal-ceramic interfaces were examined using stereomicroscopy. Additionally, 1 specimen from each group was prepared for scanning electron microscopy analysis to evaluate the surface topography of metal frameworks. The mean bond strength was 38.08 ±3.82 MPa for group C, 39.29 ±3.51 MPa for group M, 40.73 ±3.58 MPa for group LS, and 41.24 ±3.75 MPa for group LC. Statistically significant differences were observed among the 4 groups (P=.016). All groups, except for LS, exhibited adhesive and mixed type bond failure. Both of the laser sintering methods were found to be successful in terms of metal-ceramic bond strength. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.
Hydrogen bonding. Part 18. The nature of the OHF hydrogen bond in choline fluoride
NASA Astrophysics Data System (ADS)
Harmon, Kenneth M.; Madeira, Susan L.; Jacks, Marshan J.; Avci, Günsel F.; Thiel, Anne C.
1985-05-01
The infrared spectrum of the OHF hydrogen bond in choline fluoride is completely different from the spectra of the electrostatic O—H⋯X hydrogen bonds in the other choline halides; however, this spectrum cannot be accounted for in terms of a "very strong" covalent OHF bond such as those found in carboxylic acid—fluoride ion complexes or postulated for betaine hydrofluoride. The spectrum of choline fluoride is interpreted best in terms of an intermediate type of unsymmetrical hydrogen bond ( r° O⋯F = ˜ 256 pm) which shows strong intensity enhancement for the first overtone of the OHF bending vibration.
Bond-length fluctuations and the spin-state transition in LCoO3 (L=La, Pr, and Nd)
NASA Astrophysics Data System (ADS)
Yan, J.-Q.; Zhou, J.-S.; Goodenough, J. B.
2004-04-01
The temperature dependence of thermal conductivity, κ(T), and magnetic susceptibility, χ(T), have been measured on single crystals of LCoO3 (L=La, Pr, Nd) grown by the floating-zone method. The susceptibility measurement shows a progressive stabilization of the low-spin (LS) state of Co(III) with decreasing size of the L3+ ion, and the population of excited intermediate-spin (IS) or high-spin (HS) state Co(III) ions begins to increase at 200 K and 300 K for PrCoO3 and NdCoO3 compared with 35 K in LaCoO3. The low-temperature Curie-Weiss paramagnetic susceptibility of LCoO3 is an intrinsic property arising from surface cobalt and, possibly, a LS ground state bearing some IS character caused by the virtual excitation to the IS state. The transition from a LS to a IS/HS state introduces bond-length fluctuations that suppress the phonon contribution to κ(T) below 300 K. The suppressed κ(T) could be further reduced by dynamic Jahn-Teller distortions associated with the IS/HS species. A smooth transition in ρ(T) and α(T) and a nearly temperature independent α(T)≈20 μV/K above 600 K do not support a thermally induced, homogeneous Mott-Hubbard transition model for the high-temperature transition of LaCoO3 from an insulating to a conductive state. A two-phase process is proposed for the interval 300 K
How cellulose stretches: synergism between covalent and hydrogen bonding.
Altaner, Clemens M; Thomas, Lynne H; Fernandes, Anwesha N; Jarvis, Michael C
2014-03-10
Cellulose is the most familiar and most abundant strong biopolymer, but the reasons for its outstanding mechanical performance are not well understood. Each glucose unit in a cellulose chain is joined to the next by a covalent C-O-C linkage flanked by two hydrogen bonds. This geometry suggests some form of cooperativity between covalent and hydrogen bonding. Using infrared spectroscopy and X-ray diffraction, we show that mechanical tension straightens out the zigzag conformation of the cellulose chain, with each glucose unit pivoting around a fulcrum at either end. Straightening the chain leads to a small increase in its length and is resisted by one of the flanking hydrogen bonds. This constitutes a simple form of molecular leverage with the covalent structure providing the fulcrum and gives the hydrogen bond an unexpectedly amplified effect on the tensile stiffness of the chain. The principle of molecular leverage can be directly applied to certain other carbohydrate polymers, including the animal polysaccharide chitin. Related but more complex effects are possible in some proteins and nucleic acids. The stiffening of cellulose by this mechanism is, however, in complete contrast to the way in which hydrogen bonding provides toughness combined with extensibility in protein materials like spider silk.
Lerner, H-W; Bolte, M; Wagner, M
2017-07-11
The thermo-labile triazenide Na[tBu 3 SiNNNSiMe 3 ] was prepared by the reaction of Me 3 SiN 3 with Na(thf) 2 [SitBu 3 ] in pentane at -78 °C. Treatment of Na[tBu 3 SiNNNSiMe 3 ] with an excess of carbon dioxide in pentane at -78 °C yielded the imido carbonate (tBu 3 SiO)(Me 3 SiO)C[double bond, length as m-dash]N-SitBu 3 and the carbamine acid (tBu 3 SiO)CONH 2 along with other products. From the reaction solution we could isolate the imido carbonate (tBu 3 SiO)(Me 3 SiO)C[double bond, length as m-dash]N-SitBu 3 and carbamine acid (tBu 3 SiO)CONH 2 . At first single crystals of the carbamine acid (tBu 3 SiO)CONH 2 (triclinic, space group P1[combining macron]) were grown from this solution at room temperature. A second crop of crystals were obtained by concentrating the solution. The second charge consisted of the imido carbonate (tBu 3 SiO)(Me 3 SiO)C[double bond, length as m-dash]N-SitBu 3 (monoclinic, space group P2 1 /n).
Efficacy of ceramic repair material on the bond strength of composite resin to zirconia ceramic.
Kirmali, Omer; Kapdan, Alper; Harorli, Osman Tolga; Barutcugil, Cagatay; Ozarslan, Mehmet Mustafa
2015-01-01
The aim of this study was to evaluate the shear bond strength of composite resin in five different repair systems. Sixty specimens (7 mm in diameter and 3 mm in height) of zirconia ceramic were fabricated. All specimen surfaces were prepared with a 30 µm fine diamond rotary cutting instrument with water irrigation for 10 s and dried with oil-free air. Specimens were then randomly divided into six groups for the following different intra-oral repair systems (n = 10): Group 1, control group; Group 2, Cojet system (3M ESPE, Seefeld, Germany); Group 3, Cimara® System (Voco, Cuxhaven, Germany); Group 4, Z-Prime Plus System (Bisco Inc., Schaumburg, IL); Group 5, Clearfil™ System (Kuraray, Osaka, Japan); and Group 6, Z-Bond System (Danville, CA). After surface conditioning, a composite resin Grandio (Voco, Cuxhaven, Germany) was applied to the zirconia surface using a cylindrical mold (5 mm in diameter and 3 mm in length) and incrementally filled up, according to the manufacturer's instructions of each intra-oral system. Each specimen was subjected to a shear load at a crosshead speed of 1 mm/min until fracture. One-way analysis of variance (ANOVA) and Tukey post-hoc tests were used to analyze the bond strength values. There were significant differences between Groups 2-6 and Group 1. The highest bond strength values were obtained with Group 2 (17.26 ± 3.22) and Group 3 (17.31 ± 3.62), while the lowest values were observed with Group 1 (8.96 ± 1.62) and Group 6 (12.85 ± 3.95). All repair systems tested increased the bond strength values between zirconia and composite resin that used surface grinding with a diamond bur.
A novel disulfide bond in the SH2 Domain of the C-terminal Src kinase controls catalytic activity.
Mills, Jamie E; Whitford, Paul C; Shaffer, Jennifer; Onuchic, Jose N; Adams, Joseph A; Jennings, Patricia A
2007-02-02
The SH2 domain of the C-terminal Src kinase [Csk] contains a unique disulfide bond that is not present in other known SH2 domains. To investigate whether this unusual disulfide bond serves a novel function, the effects of disulfide bond formation on catalytic activity of the full-length protein and on the structure of the SH2 domain were investigated. The kinase activity of full-length Csk decreases by an order of magnitude upon formation of the disulfide bond in the distal SH2 domain. NMR spectra of the fully oxidized and fully reduced SH2 domains exhibit similar chemical shift patterns and are indicative of similar, well-defined tertiary structures. The solvent-accessible disulfide bond in the isolated SH2 domain is highly stable and far from the small lobe of the kinase domain. However, reduction of this bond results in chemical shift changes of resonances that map to a cluster of residues that extend from the disulfide bond across the molecule to a surface that is in direct contact with the small lobe of the kinase domain in the intact molecule. Normal mode analyses and molecular dynamics calculations suggest that disulfide bond formation has large effects on residues within the kinase domain, most notably within the active-site cleft. Overall, the data indicate that reversible cross-linking of two cysteine residues in the SH2 domain greatly impacts catalytic function and interdomain communication in Csk.
NASA Astrophysics Data System (ADS)
Dunning, Thom H.; Xu, Lu T.; Takeshita, Tyler Y.
2015-01-01
The number of singly occupied orbitals in the ground-state atomic configuration of an element defines its nominal valence. For carbon and sulfur, with two singly occupied orbitals in their 3P ground states, the nominal valence is two. However, in both cases, it is possible to form more bonds than indicated by the nominal valence—up to four bonds for carbon and six bonds for sulfur. In carbon, the electrons in the 2s lone pair can participate in bonding, and in sulfur the electrons in both the 3p and 3s lone pairs can participate. Carbon 2s and sulfur 3p recoupled pair bonds are the basis for the tetravalence of carbon and sulfur, and 3s recoupled pair bonds enable sulfur to be hexavalent. In this paper, we report generalized valence bond as well as more accurate calculations on the a4Σ- states of CF and SF, which are archetypal examples of molecules that possess recoupled pair bonds. These calculations provide insights into the fundamental nature of recoupled pair bonds and illustrate the key differences between recoupled pair bonds formed with the 2s lone pair of carbon, as a representative of the early p-block elements, and recoupled pair bonds formed with the 3p lone pair of sulfur, as a representative of the late p-block elements.
Sunderland, Travis L; Berry, John F
2016-12-19
The first set of five heterobimetallic MM'(form) 4 (form=formamidinate) complexes containing a BiRh core has been successfully synthesized. The Bi-Rh bond lengths lie between 2.5196(6) and 2.572(2) Å, consistent with Bi-Rh single bonds. All complexes have rich electrochemistry, with the [BiRh] 4+/5+ redox couples spanning approximately 700 mV and showing a strong correlation to remote ligand substitution. Visible spectroscopy showed two features for complexes 1-5 at approximately 459 and 551 nm, unique to BiRh paddlewheel complexes that are attributed to LMCT bands into the Bi-Rh σ* orbital. The large spin-orbit coupling (SOC) of Bi creates a massive Bi-Rh magnetic anisotropy, Δχ, approximately -4800×10 -36 m 3 molecule -1 , which is the largest value reported for any single bond to date. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
σ-Hole Bond vs π-Hole Bond: A Comparison Based on Halogen Bond.
Wang, Hui; Wang, Weizhou; Jin, Wei Jun
2016-05-11
The σ-hole and π-hole are the regions with positive surface electrostatic potential on the molecule entity; the former specifically refers to the positive region of a molecular entity along extension of the Y-Ge/P/Se/X covalent σ-bond (Y = electron-rich group; Ge/P/Se/X = Groups IV-VII), while the latter refers to the positive region in the direction perpendicular to the σ-framework of the molecular entity. The directional noncovalent interactions between the σ-hole or π-hole and the negative or electron-rich sites are named σ-hole bond or π-hole bond, respectively. The contributions from electrostatic, charge transfer, and other terms or Coulombic interaction to the σ-hole bond and π-hole bond were reviewed first followed by a brief discussion on the interplay between the σ-hole bond and the π-hole bond as well as application of the two types of noncovalent interactions in the field of anion recognition. It is expected that this review could stimulate further development of the σ-hole bond and π-hole bond in theoretical exploration and practical application in the future.
Application of the bond valence method in the non-isovalent semiconductor alloy (GaN) 1–x (ZnO) x
Liu, Jian
2016-09-29
This paper studies the bond valence method (BVM) and its application in the non-isovalent semiconductor alloy (GaN) 1-x(ZnO) x. Particular attention is paid to the role of short-range order (SRO). A physical interpretation based on atomic orbital interaction is proposed and examined by density-functional theory (DFT) calculations. Combining BVM with Monte-Carlo simulations and a DFT-based cluster expansion model, bond-length distributions and bond-angle variations are predicted. The correlation between bond valence and bond stiffness is also revealed. Lastly the concept of bond valence is extended into the modelling of an atomistic potential.
Retention properties of novel beta-CD bonded stationary phases in reversed-phase HPLC mode.
Zhao, Yanyan; Guo, Zhimou; Zhang, Yongping; Xue, Xingya; Xu, Qing; Li, Xiuling; Liang, Xinmiao; Zhang, Yukui
2009-05-15
With the given special structures, the CD bonded stationary phases are expected to have complementary retention properties with conventional C18 stationary phase, which will be helpful to enhance the polar selectivity in RP mode separation. In this work, two beta-cyclodextrin (beta-CD) bonded stationary phases for reversed-phase HPLC, including 1, 12-dodecyldiol linked beta-CD stationary phase (CD1) and olio (ethylene glycol) (OEG) linked beta-CD stationary phase (CD2), have been synthesized via click chemistry. The resulting materials were characterized with FT-IR and elemental analysis, which proved the successful immobilization of ligands. The similarities and differences in retention characteristics between the CD and C18 stationary phases have been elucidated by using comparative linear solvation energy relationships (LSERs). The force related to solute McGowan volume has no significant difference, while the hydrogen bonding and dipolar interactions between solutes and CD stationary phases are stronger than between solutes and C18, which is attributed to the special structures (CD and triazole groups) of CD stationary phases. Chemical origins are interpreted by comparison between CD1 and CD2. Similar dispersive interactions of CD1 and CD2 are attributed to their similar length of spacer arms. CD2 which contains OEG spacer arm has relative weaker HBD acidity but stronger HBA basicity. CD stationary phases display no serious different methylene selectivity and higher polar selectivity than in the case of C18. Higher acid selectivity and lower basic selectivity are observed on CD2 than on CD1. Distinctive retention properties and good complementary separation selectivity to C18 make the novel CD bonded stationary phases available for more application in RPLC.
Moghaddas, Mohammad Javad; Hossainipour, Zahra; Majidinia, Sara; Ojrati, Najmeh
2017-08-01
The aim of the present study was to determine the shear bond strength of self-adhesive resin cements to enamel and dentin with and without surface treatments, and compare them with conventional resin cement as the control group. In this experimental study, buccal and lingual surface of the thirty sound human premolars were polished in order to obtain a flat surface of enamel (E) in buccal, and dentin (D) in lingual. Sixty feldspathic ceramic blocks (2×3×3 mm) were prepared and randomly divided into six groups (n=10). Each block was cemented to the prepared surface (30 enamel and 30 dentin surface) according to different protocol: E1 and D1; RelyX ARC as control group, E2, D2; RelyX Unicem, E3, D3; acid etching +RelyX Unicem. The specimens were termocycled and subjected to shear forces by a universal testing machine at a cross head speed of 0.5 mm/min. The mode of fracture were evaluated by stereomicroscope. Data were analyzed with descriptive statistical methods using SPSS version 15. One-way ANOVA, and post hoc Tukey tests were used to compare bond strengths between the groups with different adhesives at α=0.05. Statistical analysis showed no significant differences within the enamel subgroups, but there were significant differences within the dentinal subgroups, and statistically significant differences were found between the groups D1and D3 (p=0.02). Comparison between similar enamel and dentinal subgroups showed that there was a significant difference just between the subgroups E3 and D3 (p=0.01). Elective etching of enamel did not lead to significant increase in the shear bond strength of RelyX Unicem in comparison to RelyX ARC. On the other hand, elective etching of dentin reduces the bond strength of RelyX Unicem with the dentin.
A density functional theory study on the hydrogen bonding interactions between luteolin and ethanol.
Zheng, Yan-Zhen; Xu, Jing; Liang, Qin; Chen, Da-Fu; Guo, Rui; Fu, Zhong-Min
2017-08-01
Ethanol is one of the most commonly used solvents to extract flavonoids from propolis. Hydrogen bonding interactions play an important role in the properties of liquid system. The main objective of the work is to study the hydrogen bonding interactions between flavonoid and ethanol. Luteolin is a very common flavonoid that has been found in different geographical and botanical propolis. In this work, it was selected as the representative flavonoid to do detailed research. The study was performed from a theoretical perspective using density functional theory (DFT) method. After careful optimization, there exist nine optimized geometries for the luteolin - CH 3 CH 2 OH complex. The binding distance of X - H···O, and the bond length, vibrational frequency, and electron density changes of X - H all indicate the formation of the hydrogen bond in the optimized geometries. In the optimized geometries, it is found that: (1) except for the H2', H5', and H6', CH 3 CH 2 OH has formed hydrogen bonds with all the hydrogen and oxygen atoms in luteolin. The hydrogen atoms in the hydroxyl groups of luteolin form the strongest hydrogen bonds with CH 3 CH 2 OH; (2) all of the hydrogen bonds are closed-shell interactions; (3) the strongest hydrogen bond is the O3' - H3'···O in structure A, while the weakest one is the C3 - H3···O in structure E; (4) the hydrogen bonds of O3' - H3'···O, O - H···O4, O - H···O3' and O - H···O7 are medium strength and covalent dominant in nature. While the other hydrogen bonds are weak strength and possess a dominant character of the electrostatic interactions in nature.
Bergamin, Ana Cláudia Pietrobom; Bridi, Enrico Coser; Amaral, Flávia Lucisano Botelho; Turssi, Cecília Pedroso; Basting, Roberta Tarkany; Aguiar, Flávio Henrique Baggio; França, Fabiana Mantovani Gomes
2016-01-01
The aim of this study was to evaluate the bond strength of different adhesive systems to eroded dentin following toothbrushing with an arginine-containing toothpaste. Sixty standardized 3 × 3 × 2-mm fragments of root dentin (n = 10) were prepared. After all surfaces except the buccal surfaces were impermeabilized, specimens were subjected to an erosive wear protocol and stored for 24 hours at 37°C. The specimens underwent 1000 toothbrushing cycles with an arginine-containing toothpaste, an arginine-free toothpaste (positive control group), or artificial saliva (negative control group). Following application of a self-etching or an etch-and-rinse adhesive to the buccal surfaces of the specimens, 6-mm-high composite resin blocks were built up in 2-mm increments. After 24 hours' storage in 100% relative humidity, microtensile test specimens with an approximate area of 1 mm² were prepared. The test was performed at a speed of 0.5 mm/min until specimen fracture, and the failure patterns were evaluated using a stereoscopic loupe. Two-way analysis of variance revealed no significant difference between the toothpastes, the adhesive systems, or the interactions between toothpaste and adhesive system in terms of the bond strength to eroded dentin (P > 0.05). The predominant failure pattern was adhesive in all groups. It was concluded that a toothpaste containing arginine did not interfere with the bond between either the self-etching or the etch-and-rinse adhesive system and eroded dentin.
Wang, Xiang; Lee, Jae-Hyeok; Li, Ruibin; Liao, Yu-Pei; Kang, Joohoon; Chang, Chong Hyun; Guiney, Linda M; Mirshafiee, Vahid; Li, Linjiang; Lu, Jianqin; Xia, Tian; Hersam, Mark C; Nel, André E
2018-06-01
Carbon nanotubes (CNTs) exhibit a number of physicochemical properties that contribute to adverse biological outcomes. However, it is difficult to define the independent contribution of individual properties without purified materials. A library of highly purified single-walled carbon nanotubes (SWCNTs) of different lengths is prepared from the same base material by density gradient ultracentrifugation, designated as short (318 nm), medium (789 nm), and long (1215 nm) SWCNTs. In vitro screening shows length-dependent interleukin-1β (IL-1β) production, in order of long > medium > short. However, there are no differences in transforming growth factor-β1 production in BEAS-2B cells. Oropharyngeal aspiration shows that all the SWCNTs induce profibrogenic effects in mouse lung at 21 d postexposure, but there are no differences between tube lengths. In contrast, these SWCNTs demonstrate length-dependent antibacterial effects on Escherichia coli, with the long SWCNT exerting stronger effects than the medium or short tubes. These effects are reduced by Pluronic F108 coating or supplementing with glucose. The data show length-dependent effects on proinflammatory response in macrophage cell line and antibacterial effects, but not on collagen deposition in the lung. These data demonstrate that over the length scale tested, the biological response to highly purified SWCNTs is dependent on the complexity of the nano/bio interface. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Toniollo, Marcelo Bighetti; Macedo, Ana Paula; Rodrigues, Renata Cristina Silveira; Ribeiro, Ricardo Faria; de Mattos, Maria da Gloria Chiarello
2012-11-01
This finite element analysis (FEA) compared stress distribution on different bony ridges rehabilitated with different lengths of morse taper implants, varying dimensions of metal-ceramic crowns to maintain the occlusal alignment. Three-dimensional FE models were designed representing a posterior left side segment of the mandible: group control, 3 implants of 11 mm length; group 1, implants of 13 mm, 11 mm and 5 mm length; group 2, 1 implant of 11 mm and 2 implants of 5 mm length; and group 3, 3 implants of 5 mm length. The abutments heights were 3.5 mm for 13- and 11-mm implants (regular), and 0.8 mm for 5-mm implants (short). Evaluation was performed on Ansys software, oblique loads of 365N for molars and 200N for premolars. There was 50% higher stress on cortical bone for the short implants than regular implants. There was 80% higher stress on trabecular bone for the short implants than regular implants. There was higher stress concentration on the bone region of the short implants neck. However, these implants were capable of dissipating the stress to the bones, given the applied loads, but achieving near the threshold between elastic and plastic deformation to the trabecular bone. Distal implants and/or with biggest occlusal table generated greatest stress regions on the surrounding bone. It was concluded that patients requiring short implants associated with increased proportions implant prostheses need careful evaluation and occlusal adjustment, as a possible overload in these short implants, and even in regular ones, can generate stress beyond the physiological threshold of the surrounding bone, compromising the whole system.
Tetrel Bonding as a Vehicle for Strong and Selective Anion Binding.
Scheiner, Steve
2018-05-11
Tetrel atoms T (T = Si, Ge, Sn, and Pb) can engage in very strong noncovalent interactions with nucleophiles, which are commonly referred to as tetrel bonds. The ability of such bonds to bind various anions is assessed with a goal of designing an optimal receptor. The Sn atom seems to form the strongest bonds within the tetrel family. It is most effective in the context of a -SnF₃ group and a further enhancement is observed when a positive charge is placed on the receptor. Connection of the -SnF₃ group to either an imidazolium or triazolium provides a strong halide receptor, which can be improved if its point of attachment is changed from the C to an N atom of either ring. Aromaticity of the ring offers no advantage nor is a cyclic system superior to a simple alkyl amine of any chain length. Placing a pair of -SnF₃ groups on a single molecule to form a bipodal dicationic receptor with two tetrel bonds enhances the binding, but falls short of a simple doubling. These two tetrel groups can be placed on opposite ends of an alkyl diamine chain of any length although SnF₃⁺NH₂(CH₂) n NH₂SnF₃⁺ with n between 2 and 4 seems to offer the strongest halide binding. Of the various anions tested, OH − binds most strongly: OH − > F − > Cl − > Br − > I − . The binding energy of the larger NO₃ − and HCO₃ − anions is more dependent upon the charge of the receptor. This pattern translates into very strong selectivity of binding one anion over another. The tetrel-bonding receptors bind far more strongly to each anion than an equivalent number of K⁺ counterions, which leads to equilibrium ratios in favor of the former of many orders of magnitude.
Glavatskikh, Marta; Madzhidov, Timur; Solov'ev, Vitaly; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre
2016-12-01
In this work, we report QSPR modeling of the free energy ΔG of 1 : 1 hydrogen bond complexes of different H-bond acceptors and donors. The modeling was performed on a large and structurally diverse set of 3373 complexes featuring a single hydrogen bond, for which ΔG was measured at 298 K in CCl 4 . The models were prepared using Support Vector Machine and Multiple Linear Regression, with ISIDA fragment descriptors. The marked atoms strategy was applied at fragmentation stage, in order to capture the location of H-bond donor and acceptor centers. Different strategies of model validation have been suggested, including the targeted omission of individual H-bond acceptors and donors from the training set, in order to check whether the predictive ability of the model is not limited to the interpolation of H-bond strength between two already encountered partners. Successfully cross-validating individual models were combined into a consensus model, and challenged to predict external test sets of 629 and 12 complexes, in which donor and acceptor formed single and cooperative H-bonds, respectively. In all cases, SVM models outperform MLR. The SVM consensus model performs well both in 3-fold cross-validation (RMSE=1.50 kJ/mol), and on the external test sets containing complexes with single (RMSE=3.20 kJ/mol) and cooperative H-bonds (RMSE=1.63 kJ/mol). © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Msallam, Ferial Ahmed; Grawish, Mohammed El-Awady; Hafez, Ahmad Mohammed; Abdelnaby, Yasser Lotfy
2017-12-01
The present study was conducted to evaluate the effect of different topical agents utilized for prevention of enamel decalcification around orthodontic brackets bonded to bleached and non-bleached enamel. Human maxillary premolars (n = 120) were divided into two equal groups. Teeth in group I were left without bleaching while those in group II were bleached with Vivastyle gel. Metal brackets were bonded to all the teeth using light-cured adhesive. Each group was divided into six equal subgroups (A, B, C, D, E, and F). In subgroup A, no material was applied (control). In subgroups B, C, D, E, and F, the following materials were applied respectively: Profluorid varnish, Enamel Pro Varnish, Ortho-Choice Ortho-Coat, GC Tooth Mousse, and GC MI Paste Plus. All teeth were cycled in a demineralization solution/artificial saliva for 15 days. Laser fluorescence was used to measure the level of enamel mineralization. The data were statistically analyzed. Regarding the non-bleaching subgroups, all studied material revealed significant demineralization reduction in comparison to the control subgroup (P < 0.05). Ortho-Choice Ortho-Coat revealed the highest significant effect while GC Tooth Mousse showed the least effect. In bleached subgroups, Profluorid varnish, Enamel Pro Varnish, and Ortho-Choice Ortho-Coat significantly reduced demineralization (P < 0.05) while either GC MI Paste Plus or GC Tooth Mousse had no significant effects (P > 0.05). Ortho-Choice Ortho-Coat, and Profluorid and Enamel Pro varnishes could be utilized successfully to reduce enamel demineralization around brackets bonded to either bleached or non-bleached enamel. GC MI Paste Plus and GC Tooth Mousse were effective only in non-bleached enamel.
Bonded and Stitched Composite Structure
NASA Technical Reports Server (NTRS)
Zalewski, Bart F. (Inventor); Dial, William B. (Inventor)
2014-01-01
A method of forming a composite structure can include providing a plurality of composite panels of material, each composite panel having a plurality of holes extending through the panel. An adhesive layer is applied to each composite panel and a adjoining layer is applied over the adhesive layer. The method also includes stitching the composite panels, adhesive layer, and adjoining layer together by passing a length of a flexible connecting element into the plurality of holes in the composite panels of material. At least the adhesive layer is cured to bond the composite panels together and thereby form the composite structure.
NASA Astrophysics Data System (ADS)
Abedi, H. R.; Salehi, M.; Shafyei, A.
2017-10-01
In this study, thermal barrier coatings (TBCs) composed of different bond coats (Zn, Al, Cu-8Al and Cu-6Sn) with mullite top coats were flame-sprayed and air-plasma-sprayed, respectively, onto bismaleimide matrix composites. These polyimide matrix composites are of interest to replace PMR-15, due to concerns about the toxicity of the MDA monomer from which PMR-15 is made. The results showed that pores and cracks appeared at the bond coat/substrate interface for the Al-bonded TBC because of its high thermal conductivity and diffusivity resulting in transferring of high heat flux and temperature to the polymeric substrate during top coat deposition. The other TBC systems due to the lower conductivity and diffusivity of bonding layers could decrease the adverse thermal effect on the polymer substrate during top coat deposition and exhibited adhesive bond coat/substrate interfaces. The tensile adhesion test showed that the adhesion strength of the coatings to the substrate is inversely proportional to the level of residual stress in the coatings. However, the adhesion strength of Al bond-coated sample decreased strongly after mullite top coat deposition due to thermal damage at the bond coat/substrate interface. TBC system with the Cu-6Sn bond coat exhibited the best thermal shock resistance, while Al-bonded TBC showed the lowest. It was inferred that thermal mismatch stresses and oxidation of the bond coats were the main factors causing failure in the thermal shock test.
Hydrogen bond and halogen bond inside the carbon nanotube
NASA Astrophysics Data System (ADS)
Wang, Weizhou; Wang, Donglai; Zhang, Yu; Ji, Baoming; Tian, Anmin
2011-02-01
The hydrogen bond and halogen bond inside the open-ended single-walled carbon nanotubes have been investigated theoretically employing the newly developed density functional M06 with the suitable basis set and the natural bond orbital analysis. Comparing with the hydrogen or halogen bond in the gas phase, we find that the strength of the hydrogen or halogen bond inside the carbon nanotube will become weaker if there is a larger intramolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom donor to the antibonding orbital of the X-H or X-Hal bond involved in the formation of the hydrogen or halogen bond and will become stronger if there is a larger intermolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom acceptor to the antibonding orbital of the X-H or X-Hal bond. According to the analysis of the molecular electrostatic potential of the carbon nanotube, the driving force for the electron-density transfer is found to be the negative electric field formed in the carbon nanotube inner phase. Our results also show that the X-H bond involved in the formation of the hydrogen bond and the X-Hal bond involved in the formation of the halogen bond are all elongated when encapsulating the hydrogen bond and halogen bond within the carbon nanotube, so the carbon nanotube confinement may change the blue-shifting hydrogen bond and the blue-shifting halogen bond into the red-shifting hydrogen bond and the red-shifting halogen bond. The possibility to replace the all electron nanotube-confined calculation by the simple polarizable continuum model is also evaluated.
Novel Bonding Technology for Hermetically Sealed Silicon Micropackage
NASA Astrophysics Data System (ADS)
Lee, Duck-Jung; Ju, Byeong-Kwon; Choi, Woo-Beom; Jeong, Jee-Won; Lee, Yun-Hi; Jang, Jin; Lee, Kwang-Bae; Oh, Myung-Hwan
1999-01-01
We performed glass-to-silicon bonding and fabricated a hermetically sealed silicon wafer using silicon direct bonding followed by anodic bonding (SDAB). The hydrophilized glass and silicon wafers in solution were dried and initially bonded in atmosphere as in the silicon direct bonding (SDB) process, but annealing at high temperature was not performed. Anodic bonding was subsequently carried out for the initially bonded specimens. Then the wafer pairs bonded by the SDAB method were different from those bonded by the anodic bonding process only. The effects of the bonding process on the bonded area and tensile strength were investigated as functions of bonding temperature and voltage. Using scanning electron microscopy (SEM), the cross-sectional view of the bonded interface region was observed. In order to investigate the migration of the sodium ions in the bonding process, the concentration of the bonded glass was compared with that of standard glass. The specimen bonded using the SDAB process had higher efficiency than that using the anodic bonding process only.
Cement bond evaluation method in horizontal wells using segmented bond tool
NASA Astrophysics Data System (ADS)
Song, Ruolong; He, Li
2018-06-01
Most of the existing cement evaluation technologies suffer from tool eccentralization due to gravity in highly deviated wells and horizontal wells. This paper proposes a correction method to lessen the effects of tool eccentralization on evaluation results of cement bond using segmented bond tool, which has an omnidirectional sonic transmitter and eight segmented receivers evenly arranged around the tool 2 ft from the transmitter. Using 3-D finite difference parallel numerical simulation method, we investigate the logging responses of centred and eccentred segmented bond tool in a variety of bond conditions. From the numerical results, we find that the tool eccentricity and channel azimuth can be estimated from measured sector amplitude. The average of the sector amplitude when the tool is eccentred can be corrected to the one when the tool is centred. Then the corrected amplitude will be used to calculate the channel size. The proposed method is applied to both synthetic and field data. For synthetic data, it turns out that this method can estimate the tool eccentricity with small error and the bond map is improved after correction. For field data, the tool eccentricity has a good agreement with the measured well deviation angle. Though this method still suffers from the low accuracy of calculating channel azimuth, the credibility of corrected bond map is improved especially in horizontal wells. It gives us a choice to evaluate the bond condition for horizontal wells using existing logging tool. The numerical results in this paper can provide aids for understanding measurements of segmented tool in both vertical and horizontal wells.
A Comparison of Some Difference Schemes for a Parabolic Problem of Zero-Coupon Bond Pricing
NASA Astrophysics Data System (ADS)
Chernogorova, Tatiana; Vulkov, Lubin
2009-11-01
This paper describes a comparison of some numerical methods for solving a convection-diffusion equation subjected by dynamical boundary conditions which arises in the zero-coupon bond pricing. The one-dimensional convection-diffusion equation is solved by using difference schemes with weights including standard difference schemes as the monotone Samarskii's scheme, FTCS and Crank-Nicolson methods. The schemes are free of spurious oscillations and satisfy the positivity and maximum principle as demanded for the financial and diffusive solution. Numerical results are compared with analytical solutions.
Pires, Patrícia T.; Ferreira, João C.; Oliveira, Sofia A.; Azevedo, Álvaro F.; Dias, Walter R.; Melo, Paulo R.
2013-01-01
Context: Early observations of enamel surfaces prepared by erbium lasers motivated clinicians to use laser as an alternative to chemical etching. Aims: Evaluate shear bond strength (SBS) values of different dental adhesives on Erbium:Yttrium Aluminum Garnet (Er:YAG) laser prepared enamel and to evaluate possible etching patterns correlations between dental adhesives and SBS values. Subjects and Methods: One hundred bovine incisors were randomly assigned to SBS tests on enamel (n = 15) and to enamel morphology analysis (n = 5) after Er:YAG laser preparation as follows: Group I – 37% phosphoric acid (PA)+ ExciTE®; Group II – ExciTE®; Group III – AdheSE® self-etching; Group IV – FuturaBond® no-rinse. NR; Group V – Xeno® V. Teeth were treated with the adhesive systems and subjected to thermal cycling. SBS were performed in a universal testing machine at 5 mm/min. Statistical Analysis Used: One-way ANOVA and post-hoc tests (P < 0.05). For the morphology evaluation, specimens were immersed in Ethylenediamine tetraacetic acid (EDTA) and the etching pattern analyzed under Scanning Electron Microscope (SEM). Results: Mean bond strengths were Group I – 47.17 ± 1.61 MPa (type I etching pattern); Group II – 32.56 ± 1.64 MPa, Group III – 29.10 ± 1.34 MPa, Group IV – 23.32 ± 1.53 MPa (type III etching pattern); Group V – 24.43 MPa ± 1.55 (type II etching pattern). Conclusions: Different adhesive systems yielded significantly different SBSs. Acid etching significantly increased the adhesion in laser treated enamel. No differences in SBS values were obtained between AdheSE® and ExciTE® without condition with PA. FuturaBond® NR and Xeno® V showed similar SBS, which was lower in comparison to the others adhesives. No correlation between enamel surface morphology and SBS values was observed, except when PA was used. PMID:23853447
Accurate characterization of wafer bond toughness with the double cantilever specimen
NASA Astrophysics Data System (ADS)
Turner, Kevin T.; Spearing, S. Mark
2008-01-01
The displacement loaded double cantilever test, also referred to as the "Maszara test" and the "crack opening method" by the wafer bonding community, is a common technique used to evaluate the interface toughness or surface energy of direct wafer bonds. While the specimen is widely used, there has been a persistent question as to the accuracy of the method since the actual specimen geometry differs from the ideal beam geometry assumed in the expression used for data reduction. The effect of conducting the test on whole wafer pairs, in which the arms of cantilevers are wide plates rather than slender beams, is examined in this work using finite element analysis. A model is developed to predict the equilibrium shape of the crack front and to develop a corrected expression for calculating interface toughness from crack length measurements obtained in tests conducted on whole wafer pairs. The finite element model, which is validated through comparison to experiments, demonstrates that using the traditional beam theory-based expressions for data reduction can lead to errors of up to 25%.
Enamel colour changes after debonding using various bonding systems.
Zaher, Abbas R; Abdalla, Essam M; Abdel Motie, Maha A; Rehman, Noman Atiq; Kassem, Hassan; Athanasiou, Athanasios E
2012-06-01
To test the possible association between enamel colour alteration and resin tag depth. In vitro laboratory study. Department of Orthodontics, Alexandria University, Egypt. Fifty freshly extracted human premolar teeth were equally divided randomly into a control and four experimental groups. Teeth in group I received only enamel prophylaxis. Teeth in groups II and III were etched with 35% phosphoric acid for 15 and 60 seconds, respectively. Teeth in group IV were conditioned with Prompt L-pop self-etching primer and in group V with Xeno III self-etching primer, according to the manufacturer's instructions. Orthodontic brackets were bonded to the teeth in all experimental groups using Transbond XT composite. Following bracket debonding, finishing and polishing were performed. Enamel colour was evaluated spectrophotometrically at baseline and then after debonding, with the corresponding colour differences ΔE calculated. Resin tags lengths were measured on sectioned teeth in each experimental group under scanning electron microscope. All experimental groups showed clinically perceivable colour change after debonding and finishing as all values were exceeded the clinical colour detection threshold of ΔE = 3.7 units. Significant differences (P<0.05) in resin tag length were found in all experimental groups. Significant moderate correlation was found between colour change and resin tags length when all teeth were combined and tested, irrespective of group. Moderate evidence exists that shorter resin tag penetration produces less change in enamel colour following clean-up and polishing. Self-etch primers produce less resin penetration and these systems may produce less iatrogenic colour change in enamel following orthodontic treatment.
Masarwa, Nader; Mohamed, Ahmed; Abou-Rabii, Iyad; Abu Zaghlan, Rawan; Steier, Liviu
2016-06-01
A systematic review and meta-analysis were performed to compare longevity of Self-Etch Dentin Bonding Adhesives to Etch-and-Rinse Dentin Bonding Adhesives. The following databases were searched for PubMed, MEDLINE, Web of Science, CINAHL, the Cochrane Library complemented by a manual search of the Journal of Adhesive Dentistry. The MESH keywords used were: "etch and rinse," "total etch," "self-etch," "dentin bonding agent," "bond durability," and "bond degradation." Included were in-vitro experimental studies performed on human dental tissues of sound tooth structure origin. The examined Self-Etch Bonds were of two subtypes; Two Steps and One Step Self-Etch Bonds, while Etch-and-Rinse Bonds were of two subtypes; Two Steps and Three Steps. The included studies measured micro tensile bond strength (μTBs) to evaluate bond strength and possible longevity of both types of dental adhesives at different times. The selected studies depended on water storage as the aging technique. Statistical analysis was performed for outcome measurements compared at 24 h, 3 months, 6 months and 12 months of water storage. After 24 hours (p-value = 0.051), 3 months (p-value = 0.756), 6 months (p-value=0.267), 12 months (p-value=0.785) of water storage self-etch adhesives showed lower μTBs when compared to the etch-and-rinse adhesives, but the comparisons were statistically insignificant. In this study, longevity of Dentin Bonds was related to the measured μTBs. Although Etch-and-Rinse bonds showed higher values at all times, the meta-analysis found no difference in longevity of the two types of bonds at the examined aging times. Copyright © 2016 Elsevier Inc. All rights reserved.
Shear Bond Strength of Orthodontic Brackets Bonded to Zirconium Crowns
Mehmeti, Blerim; Azizi, Bleron; Kelmendi, Jeta; Iljazi-Shahiqi, Donika; Alar, Željko
2017-01-01
Background An increasing demand for esthetic restorations has resulted in an increased use of all-ceramic restorations, such as zirconium. However, one of the challenges the orthodontist must be willing to face is how to increase bond strength between the brackets and various ceramic restorations.Bond strength can beaffected bybracket type, by the material that bracketsaremade of, and their base surface design or retention mode.  Aim: of this study was to perform a comparative analysis of the shear bond strength (SBS) of metallic and ceramic orthodontic brackets bonded to all-zirconium ceramic surfaces used for prosthetic restorations, and also to evaluate the fracture mode of these two types of orthodontic brackets. Material and methods Twenty samples/semi-crowns of all-zirconium ceramic, on which orthodontic brackets were bonded, 10 metallic and 10 ceramic polycrystalline brackets, were prepared for this research. SBS has been testedby Universal Testing Machine, with a load applied using a knife edged rod moving at a fixed rate of 1 mm/min, until failure occurred. The force required to debond the brackets was recorded in Newton, then SBS was calculated to MPa. In addition, the samples were analyzed using a digital camera magnifier to determine Adhesive Remnant Index (ARI). Statistical data were processed using t-test, and the level of significance was set at α = 0.05. Results Higher shear bond strength values were observed in metallic brackets bonded to zirconium crowns compared tothoseof ceramic brackets, with a significant difference. During the test, two of the ceramic brackets were partially or totally damaged. Conclusion Metallic brackets, compared to ceramic polycrystalline brackets, seemed tocreate stronger adhesion with all-zirconium surfaces due to their better retention mode. Also, ceramic brackets showed higher fragility during debonding. PMID:28827846
Shear Bond Strength of Orthodontic Brackets Bonded to Zirconium Crowns.
Mehmeti, Blerim; Azizi, Bleron; Kelmendi, Jeta; Iljazi-Shahiqi, Donika; Alar, Željko; Anić-Milošević, Sandra
2017-06-01
An increasing demand for esthetic restorations has resulted in an increased use of all-ceramic restorations, such as zirconium. However, one of the challenges the orthodontist must be willing to face is how to increase bond strength between the brackets and various ceramic restorations.Bond strength can beaffected bybracket type, by the material that bracketsaremade of, and their base surface design or retention mode. : A im: of this study was to perform a comparative analysis of the shear bond strength (SBS) of metallic and ceramic orthodontic brackets bonded to all-zirconium ceramic surfaces used for prosthetic restorations, and also to evaluate the fracture mode of these two types of orthodontic brackets. Twenty samples/semi-crowns of all-zirconium ceramic, on which orthodontic brackets were bonded, 10 metallic and 10 ceramic polycrystalline brackets, were prepared for this research. SBS has been testedby Universal Testing Machine, with a load applied using a knife edged rod moving at a fixed rate of 1 mm/min, until failure occurred. The force required to debond the brackets was recorded in Newton, then SBS was calculated to MPa. In addition, the samples were analyzed using a digital camera magnifier to determine Adhesive Remnant Index (ARI). Statistical data were processed using t-test, and the level of significance was set at α = 0.05. Higher shear bond strength values were observed in metallic brackets bonded to zirconium crowns compared tothoseof ceramic brackets, with a significant difference. During the test, two of the ceramic brackets were partially or totally damaged. Metallic brackets, compared to ceramic polycrystalline brackets, seemed tocreate stronger adhesion with all-zirconium surfaces due to their better retention mode. Also, ceramic brackets showed higher fragility during debonding.
Probing Charge Transport through Peptide Bonds.
Brisendine, Joseph M; Refaely-Abramson, Sivan; Liu, Zhen-Fei; Cui, Jing; Ng, Fay; Neaton, Jeffrey B; Koder, Ronald L; Venkataraman, Latha
2018-02-15
We measure the conductance of unmodified peptides at the single-molecule level using the scanning tunneling microscope-based break-junction method, utilizing the N-terminal amine group and the C-terminal carboxyl group as gold metal-binding linkers. Our conductance measurements of oligoglycine and oligoalanine backbones do not rely on peptide side-chain linkers. We compare our results with alkanes terminated asymmetrically with an amine group on one end and a carboxyl group on the other to show that peptide bonds decrease the conductance of an otherwise saturated carbon chain. Using a newly developed first-principles approach, we attribute the decrease in conductance to charge localization at the peptide bond, which reduces the energy of the frontier orbitals relative to the Fermi energy and the electronic coupling to the leads, lowering the tunneling probability. Crucially, this manifests as an increase in conductance decay of peptide backbones with increasing length when compared with alkanes.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dunning, Thom H., E-mail: thdjr@uw.edu; Xu, Lu T.; Takeshita, Tyler Y.
2015-01-21
The number of singly occupied orbitals in the ground-state atomic configuration of an element defines its nominal valence. For carbon and sulfur, with two singly occupied orbitals in their {sup 3}P ground states, the nominal valence is two. However, in both cases, it is possible to form more bonds than indicated by the nominal valence—up to four bonds for carbon and six bonds for sulfur. In carbon, the electrons in the 2s lone pair can participate in bonding, and in sulfur the electrons in both the 3p and 3s lone pairs can participate. Carbon 2s and sulfur 3p recoupled pairmore » bonds are the basis for the tetravalence of carbon and sulfur, and 3s recoupled pair bonds enable sulfur to be hexavalent. In this paper, we report generalized valence bond as well as more accurate calculations on the a{sup 4}Σ{sup −} states of CF and SF, which are archetypal examples of molecules that possess recoupled pair bonds. These calculations provide insights into the fundamental nature of recoupled pair bonds and illustrate the key differences between recoupled pair bonds formed with the 2s lone pair of carbon, as a representative of the early p-block elements, and recoupled pair bonds formed with the 3p lone pair of sulfur, as a representative of the late p-block elements.« less
Does the 4f-shell contribute to bonding in tetravalent lanthanide halides?
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ji, Wen-Xin; School of Chemistry and Chemical Engineering, Ningxia University, 750015 Yinchuan; Xu, Wei
2014-12-28
Lanthanide tetrahalide molecules LnX{sub 4} (Ln = Ce, Pr, Tb; X = F, Cl, Br, I) have been investigated by density functional theory at the levels of the relativistic Zero Order Regular Approximation and the relativistic energy-consistent pseudopotentials, using frozen small- and medium-cores. The calculated bond lengths and vibrational frequencies are close to the experimental data. Our calculations indicate 4f shell contributions to bonding in LnX{sub 4}, in particular for the early lanthanides, which show significant overlap between the Ln 4f-shell and the halogen np-shells. The 4f shells contribute to Ln-X bonding in LnX{sub 4} about one third more thanmore » in LnX{sub 3}.« less
Resin–dentin bonds to EDTA-treated vs. acid-etched dentin using ethanol wet-bonding
Sauro, Salvatore; Toledano, Manuel; Aguilera, Fatima Sánchez; Mannocci, Francesco; Pashley, David H.; Tay, Franklin R.; Watson, Timothy F.; Osorio, Raquel
2013-01-01
Objective To compare resin–dentin bond strengths and the micropermeability of hydrophobic vs. hydrophilic resins bonded to acid-etched or EDTA-treated dentin, using the ethanol wet-bonding technique. Methods Flat dentin surfaces from extracted human third molars were conditioned before bonding with: 37% H3PO4 (15 s) or 0.1 M EDTA (60 s). Five experimental resin blends of different hydrophilicities and one commercial adhesive (SBMP: Scotchbond Multi-Purpose) were applied to ethanol wet-dentin (1 min) and light-cured (20 s). The solvated resins were used as primers (50% ethanol/50% comonomers) and their respective neat resins were used as the adhesive. The resin-bonded teeth were stored in distilled water (24 h) and sectioned in beams for microtensile bond strength testing. Modes of failure were examined by stereoscopic light microscopy and SEM. Confocal tandem scanning microscopy (TSM) interfacial characterization and micropermeability were also performed after filling the pulp chamber with 1 wt% aqueous rhodamine-B. Results The most hydrophobic resin 1 gave the lowest bond strength values to acid-etched dentin and all beams failed prematurely when the resin was applied to EDTA-treated dentin. Resins 2 and 3 gave intermediate bond strengths to both conditioned substrates. Resin 4, an acidic hydrophilic resin, gave the highest bond strengths to both EDTA-treated and acid-etched dentin. Resin 5 was the only hydrophilic resin showing poor resin infiltration when applied on acid-etched dentin. Significance The ethanol wet-bonding technique may improve the infiltration of most of the adhesives used in this study into dentin, especially when applied to EDTA-treated dentin. The chemical composition of the resin blends was a determining factor influencing the ability of adhesives to bond to EDTA-treated or 37% H3PO4 acid-etched dentin, when using the ethanol wet-bonding technique in a clinically relevant time period. PMID:20074787
Red-Shifting versus Blue-Shifting Hydrogen Bonds: Perspective from Ab Initio Valence Bond Theory.
Chang, Xin; Zhang, Yang; Weng, Xinzhen; Su, Peifeng; Wu, Wei; Mo, Yirong
2016-05-05
Both proper, red-shifting and improper, blue-shifting hydrogen bonds have been well-recognized with enormous experimental and computational studies. The current consensus is that there is no difference in nature between these two kinds of hydrogen bonds, where the electrostatic interaction dominates. Since most if not all the computational studies are based on molecular orbital theory, it would be interesting to gain insight into the hydrogen bonds with modern valence bond (VB) theory. In this work, we performed ab initio VBSCF computations on a series of hydrogen-bonding systems, where the sole hydrogen bond donor CF3H interacts with ten hydrogen bond acceptors Y (═NH2CH3, NH3, NH2Cl, OH(-), H2O, CH3OH, (CH3)2O, F(-), HF, or CH3F). This series includes four red-shifting and six blue-shifting hydrogen bonds. Consistent with existing findings in literature, VB-based energy decomposition analyses show that electrostatic interaction plays the dominating role and polarization plays the secondary role in all these hydrogen-bonding systems, and the charge transfer interaction, which denotes the hyperconjugation effect, contributes only slightly to the total interaction energy. As VB theory describes any real chemical bond in terms of pure covalent and ionic structures, our fragment interaction analysis reveals that with the approaching of a hydrogen bond acceptor Y, the covalent state of the F3C-H bond tends to blue-shift, due to the strong repulsion between the hydrogen atom and Y. In contrast, the ionic state F3C(-) H(+) leads to the red-shifting of the C-H vibrational frequency, owing to the attraction between the proton and Y. Thus, the relative weights of the covalent and ionic structures essentially determine the direction of frequency change. Indeed, we find the correlation between the structural weights and vibrational frequency changes.
The effect of elastomer chain length on properties of silicone-modified polyimide adhesives
NASA Technical Reports Server (NTRS)
St.clair, A. K.; St.clair, T. L.; Ezzell, S.
1981-01-01
A series of polyimides containing silicone elastomers was synthesized in order to study the effects of the elastomer chain length on polymer properties. The elastomer with repeat units varying from n=10 to 105 was chemically reacted into the backbone of an addition polyimide oligomer via reactive aromatic amine groups. Glass transition temperatures of the elastomer and polyimide phases were observed by torsional braid analysis. The elastomer-modified polyimides were tested as adhesives for bonding titanium in order to determine their potential for aerospace applications. Adhesive lap shear tests were performed before and after aging bonded specimens at elevated temperatures.
Ab-Ghani, Zuryati; Jaafar, Wahyuni; Foo, Siew Fon; Ariffin, Zaihan; Mohamad, Dasmawati
2015-01-01
To evaluate the shear bond strength between the dentin substrate and computer-aided design and computer-aided manufacturing feldspathic ceramic and nano resin ceramics blocks cemented with resin cement. Sixty cuboidal blocks (5 mm × 5 mm × 5 mm) were fabricated in equal numbers from feldspathic ceramic CEREC(®) Blocs PC and nano resin ceramic Lava™ Ultimate, and randomly divided into six groups (n = 10). Each block was cemented to the dentin of 60 extracted human premolar using Variolink(®) II/Syntac Classic (multi-steps etch-and-rinse adhesive bonding), NX3 Nexus(®) (two-steps etch-and-rinse adhesive bonding) and RelyX™ U200 self-adhesive cement. All specimens were thermocycled, and shear bond strength testing was done using the universal testing machine at a crosshead speed of 1.0 mm/min. Data were analyzed using one-way ANOVA. Combination of CEREC(®) Blocs PC and Variolink(®) II showed the highest mean shear bond strength (8.71 Mpa), while the lowest of 2.06 Mpa were observed in Lava™ Ultimate and RelyX™ U200. There was no significant difference in the mean shear bond strength between different blocks. Variolink(®) II cement using multi-steps etch-and-rinse adhesive bonding provided a higher shear bond strength than the self-adhesive cement RelyX U200. The shear bond strength was not affected by the type of blocks used.
Comparison of the bond strength of stainless steel orthodontic brackets bonded to crown porcelains.
Chay, Siew Han; Wattanapayungkul, Pranee; Yap, Adrian U Jin; Loh, Poey Ling; Chung, Sew Meng
2005-05-01
The bond strengths and mode of failure of stainless steel orthodontic brackets bonded to the newer all-ceramic crown systems has not been fully investigated. To compare the shear-peel bond strengths and modes of failure of stainless steel Begg orthodontic brackets bonded to all-ceramic crown systems (Finesse, Empress II) and a conventional feldsphatic crown porcelain (Vita Omega 900). Fifteen flat-surface discs of three crown porcelains (Finesse, Vita Omega 900, Empress II) were made and mounted in acrylic moulds. The discs were pumiced, etched with phosphoric acid, primed with silane, and a flat stainless steel Begg bracket bonded to each disc with a chemical cure composite resin (Unite Bond). The discs were stored for one week in water and debonded with a sheer-peel load in an Instron uniaxial testing system with a crosshead speed of 0.5 mm/min. The composite remnants on the ceramic surfaces were classified using the Adhesive Remnant Index (ARI). The bond strength of Finesse (15.03 +/- 1.90 MPa) was significantly greater (p < 0.001) than Vita Omega 900 11.51 +/- 2.35 MPa) and Empress II (11.12 +/- 1.78 MPa). There were no significant differences among the ARI scores. The mode of failure was a mixture of adhesive and cohesive failure. The results indicate that the bond strengths of stainless steel orthodontic brackets bonded to Finesse and Empress II porcelains are clinically acceptable.
Kilinç, Delal Dara; Sayar, Gülşilay
2018-04-07
The aim of this study was to evaluate the effect of total surface sandblasting on the shear bond strength of two different retainer wires. The null hypothesis was that there is no difference in the bond strength of the two types of lingual retainer wires when they are sandblasted. One hundred and sixty human premolar teeth were equally divided into four groups (n=40). A pair of teeth was embedded in self-curing acrylic resin and polished. Retainer wires were applied on the etched and rinsed surfaces of the teeth. Four retainers were used: group 1: braided retainer (0.010×0.028″, Ortho Technology); group 2: sandblasted braided retainer (0.010×0.028″, Ortho Technology); group 3: coaxial retainer (0.0215″ Coaxial, 3M) and group 4: sandblasted coaxial retainer (0.0215″ Coaxial, 3M). The specimens were tested using a universal test machine in shear mode with a crosshead speed of one mm/min. One-way analysis of variance (Anova) was used to determine the significant differences among the groups. There was no significant difference (P=0.117) among the groups according to this test. The null hypothesis was accepted. There was no statistically significant difference among the shear bond strength values of the four groups. Copyright © 2018 CEO. Published by Elsevier Masson SAS. All rights reserved.
Tantau, L J; Chantler, C T; Bourke, J D; Islam, M T; Payne, A T; Rae, N A; Tran, C Q
2015-07-08
We use the x-ray extended range technique (XERT) to experimentally determine the mass attenuation coefficient of silver in the x-ray energy range 11 kev-28 kev including the silver K absorption edge. The results are accurate to better than 0.1%, permitting critical tests of atomic and solid state theory. This is one of the most accurate demonstrations of cross-platform accuracy in synchrotron studies thus far. We derive the mass absorption coefficients and the imaginary component of the form factor over this range. We apply conventional XAFS analytic techniques, extended to include error propagation and uncertainty, yielding bond lengths accurate to approximately 0.24% and thermal Debye-Waller parameters accurate to 30%. We then introduce the FDMX technique for accurate analysis of such data across the full XAFS spectrum, built on full-potential theory, yielding a bond length accuracy of order 0.1% and the demonstration that a single Debye parameter is inadequate and inconsistent across the XAFS range. Two effective Debye-Waller parameters are determined: a high-energy value based on the highly-correlated motion of bonded atoms (σ(DW) = 0.1413(21) Å), and an uncorrelated bulk value (σ(DW) = 0.1766(9) Å) in good agreement with that derived from (room-temperature) crystallography.
Insertion of terminal alkyne into Pt-N bond of the square planar [PtI2(Me2phen)] complex.
Benedetti, Michele; De Castro, Federica; Lamacchia, Vincenza; Pacifico, Concetta; Natile, Giovanni; Fanizzi, Francesco P
2017-11-21
The reactivity of [PtX 2 (Me 2 phen)] complexes (X = Cl, Br, I; Me 2 phen = 2,9-dimethyl-1,10-phenanthroline) with terminal alkynes has been investigated. Although the dichlorido species [PtCl 2 (Me 2 phen)] exhibits negligible reactivity, the bromido and iodido derivatives lead in short time to the formation of five-coordinate Pt(ii) complexes of the type [PtX 2 (Me 2 phen)(η 2 -CH[triple bond, length as m-dash]CR)] (X = Br, I; R = Ph, n-Bu), in equilibrium with the starting reagents. Similar to analogous complexes with simple acetylene, the five coordinate species can also undergo dissociation of an halido ligand and formation of the transient square-planar cationic species [PtX(Me 2 phen)(η 2 -CH[triple bond, length as m-dash]CR)] + . This latter can further evolve to give an unusual, sparingly soluble square planar product where the former terminal alkyne is converted into a :C[double bond, length as m-dash]C(H)(R) moiety with the α-carbon bridging the Pt(ii) core with one of the two N-donors of coordinated Me 2 phen. The final product [PtX 2 {κ 2 -N,C-(Z)-N[combining low line]1-N10-C[combining low line][double bond, length as m-dash]C(H)(R)}] (N1-N10 = 2,9-dimethyl-1,10-phenanthroline; X = Br, I) contains a Pt-N-C-C-N-C six-membered chelate ring in a square planar Pt(ii) coordination environment.
Canela, Andrés; Klatt, Peter; Blasco, María A
2007-01-01
Most somatic cells of long-lived species undergo telomere shortening throughout life. Critically short telomeres trigger loss of cell viability in tissues, which has been related to alteration of tissue function and loss of regenerative capabilities in aging and aging-related diseases. Hence, telomere length is an important biomarker for aging and can be used in the prognosis of aging diseases. These facts highlight the importance of developing methods for telomere length determination that can be employed to evaluate telomere length during the human aging process. Telomere length quantification methods have improved greatly in accuracy and sensitivity since the development of the conventional telomeric Southern blot. Here, we describe the different methodologies recently developed for telomere length quantification, as well as their potential applications for human aging studies.
NASA Astrophysics Data System (ADS)
Tarzia, M.; Biroli, G.
2008-06-01
We show that a new glassy phase can emerge in the presence of strong magnetic frustration and quantum fluctuations. It is a valence bond glass (VBG). We study its properties solving the Hubbard-Heisenberg model on a Bethe lattice within the large-N limit introduced by Affleck and Marston. We work out the phase diagram that contains Fermi liquid, dimer and valence bond glass phases. This new glassy phase has no electronic or spin gap (although a pseudo-gap is observed), it is characterized by long-range critical valence bond correlations and is not related to any magnetic ordering. As a consequence, it is quite different from both valence bond crystals and spin glasses.
Steeneveld, W; Schukken, Y H; van Knegsel, A T M; Hogeveen, H
2013-05-01
Shortening the dry period (DP) has been proposed as a management strategy to improve energy balance in early lactation. It is well known that both shortening and complete omission of the DP reduces milk production in the subsequent lactations. In most of these studies milk production data were obtained from planned animal experiments where cows were randomly assigned to DP length treatments, and cow management and diet composition did not differ among treatments. It may therefore be hypothesized that cows on commercial herds which apply a no-DP or short-DP-strategy, and support this by management adjustments, will have a less dramatic reduction in milk production. In this study, milk production and somatic cell count (SCC) following different DP lengths was investigated under commercial circumstances. Milk production of 342 cows (2,077 test-day records) was available from 5 Dutch commercial dairy herds which started a no DP-strategy for all cows. Test days of the year before applying the no-DP strategy are used as control (323 cows, 1,717 test-day records). Six other herds applied an individual cow approach and have different preplanned DP lengths within one herd. From these herds, information on 81 cows (482 test-day records) with a DP length between 0 and 20 d, 127 cows (925 test-day records) with a DP length between 21 and 35 d, and 143 cows (1,075 test-day records) with a DP length of more than 35 d was available. A generalized linear model incorporating an autoregressive covariance structure accounting for repeated test-day yields within cow was developed to estimate the daily yield (milk, fat and protein) and SCC of all cows. Applying no DP for all cows in the herd resulted in a reduction in postpartum milk production compared with within-herd control lactations (until 305 DIM) between 3.2 and 9.1 kg/d, which was a reduction of 12 and 32%, respectively. For the 6 herds that applied an individual cow approach with different preplanned DP lengths, the cow
Roos, Malgorzata; Stawarczyk, Bogna
2012-07-01
This study evaluated and compared Weibull parameters of resin bond strength values using six different general-purpose statistical software packages for two-parameter Weibull distribution. Two-hundred human teeth were randomly divided into 4 groups (n=50), prepared and bonded on dentin according to the manufacturers' instructions using the following resin cements: (i) Variolink (VAN, conventional resin cement), (ii) Panavia21 (PAN, conventional resin cement), (iii) RelyX Unicem (RXU, self-adhesive resin cement) and (iv) G-Cem (GCM, self-adhesive resin cement). Subsequently, all specimens were stored in water for 24h at 37°C. Shear bond strength was measured and the data were analyzed using Anderson-Darling goodness-of-fit (MINITAB 16) and two-parameter Weibull statistics with the following statistical software packages: Excel 2011, SPSS 19, MINITAB 16, R 2.12.1, SAS 9.1.3. and STATA 11.2 (p≤0.05). Additionally, the three-parameter Weibull was fitted using MNITAB 16. Two-parameter Weibull calculated with MINITAB and STATA can be compared using an omnibus test and using 95% CI. In SAS only 95% CI were directly obtained from the output. R provided no estimates of 95% CI. In both SAS and R the global comparison of the characteristic bond strength among groups is provided by means of the Weibull regression. EXCEL and SPSS provided no default information about 95% CI and no significance test for the comparison of Weibull parameters among the groups. In summary, conventional resin cement VAN showed the highest Weibull modulus and characteristic bond strength. There are discrepancies in the Weibull statistics depending on the software package and the estimation method. The information content in the default output provided by the software packages differs to very high extent. Copyright © 2012 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
Energetic and entropic components of the Tolman length for mW and TIP4P/2005 water nanodroplets
NASA Astrophysics Data System (ADS)
Joswiak, Mark N.; Do, Ryan; Doherty, Michael F.; Peters, Baron
2016-11-01
The surface free energy of a droplet is approximately γ ( R ) = γ ( ∞ ) ( 1 - 2 δ / R ) , with R being the droplet radius and δ being the Tolman length. Here we use the mitosis method to compute δ = - 0.56 ± 0.1 Å at 300 K for mW water, indicating that γ ( R ) increases as the droplet size decreases. The computed Tolman length agrees quite well with a previous study of TIP4P/2005 water. We also decompose the size-dependent surface free energy into energetic and entropic contributions for the mW and TIP4P/2005 force fields. Despite having similar Tolman lengths, the energy-entropy decompositions are very different for the two force fields. We discuss critical assumptions which lead to these findings and their relation to experiments on the nucleation of water droplets. We also discuss surface broken bonds and structural correlations as possible explanations for the energetic and entropic contributions.
Stubbs, Peter W; Walsh, Lee D; D'Souza, Arkiev; Héroux, Martin E; Bolsterlee, Bart; Gandevia, Simon C; Herbert, Robert D
2018-06-01
In reduced muscle preparations, the slack length and passive stiffness of muscle fibres have been shown to be influenced by previous muscle contraction or stretch. In human muscles, such behaviours have been inferred from measures of muscle force, joint stiffness and reflex magnitudes and latencies. Using ultrasound imaging, we directly observed that isometric contraction of the vastus lateralis muscle at short lengths reduces the slack lengths of the muscle-tendon unit and muscle fascicles. The effect is apparent 60 s after the contraction. These observations imply that muscle contraction at short lengths causes the formation of bonds which reduce the effective length of structures that generate passive tension in muscles. In reduced muscle preparations, stretch and muscle contraction change the properties of relaxed muscle fibres. In humans, effects of stretch and contraction on properties of relaxed muscles have been inferred from measurements of time taken to develop force, joint stiffness and reflex latencies. The current study used ultrasound imaging to directly observe the effects of stretch and contraction on muscle-tendon slack length and fascicle slack length of the human vastus lateralis muscle in vivo. The muscle was conditioned by (a) strong isometric contractions at long muscle-tendon lengths, (b) strong isometric contractions at short muscle-tendon lengths, (c) weak isometric contractions at long muscle-tendon lengths and (d) slow stretches. One minute after conditioning, ultrasound images were acquired from the relaxed muscle as it was slowly lengthened through its physiological range. The ultrasound image sequences were used to identify muscle-tendon slack angles and fascicle slack lengths. Contraction at short muscle-tendon lengths caused a mean 13.5 degree (95% CI 11.8-15.0 degree) shift in the muscle-tendon slack angle towards shorter muscle-tendon lengths, and a mean 5 mm (95% CI 2-8 mm) reduction in fascicle slack length, compared to the
System analysis through bond graph modeling
NASA Astrophysics Data System (ADS)
McBride, Robert Thomas
2005-07-01
Modeling and simulation form an integral role in the engineering design process. An accurate mathematical description of a system provides the design engineer the flexibility to perform trade studies quickly and accurately to expedite the design process. Most often, the mathematical model of the system contains components of different engineering disciplines. A modeling methodology that can handle these types of systems might be used in an indirect fashion to extract added information from the model. This research examines the ability of a modeling methodology to provide added insight into system analysis and design. The modeling methodology used is bond graph modeling. An investigation into the creation of a bond graph model using the Lagrangian of the system is provided. Upon creation of the bond graph, system analysis is performed. To aid in the system analysis, an object-oriented approach to bond graph modeling is introduced. A framework is provided to simulate the bond graph directly. Through object-oriented simulation of a bond graph, the information contained within the bond graph can be exploited to create a measurement of system efficiency. A definition of system efficiency is given. This measurement of efficiency is used in the design of different controllers of varying architectures. Optimal control of a missile autopilot is discussed within the framework of the calculated system efficiency.
Covalent bond force profile and cleavage in a single polymer chain
NASA Astrophysics Data System (ADS)
Garnier, Lionel; Gauthier-Manuel, Bernard; van der Vegte, Eric W.; Snijders, Jaap; Hadziioannou, Georges
2000-08-01
We present here the measurement of the single-polymer entropic elasticity and the single covalent bond force profile, probed with two types of atomic force microscopes (AFM) on a synthetic polymer molecule: polymethacrylic acid in water. The conventional AFM allowed us to distinguish two types of interactions present in this system when doing force spectroscopic measurements: the first interaction is associated with adsorption sites of the polymer chains onto a bare gold surface, the second interaction is directly correlated to the rupture process of a single covalent bond. All these bridging interactions allowed us to stretch the single polymer chain and to determine the various factors playing a role in the elasticity of these molecules. To obtain a closer insight into the bond rupture process, we moved to a force sensor stable in position when measuring attractive forces. By optimizing the polymer length so as to fulfill the elastic stability conditions, we were able for the first time to map out the entire force profile associated with the cleavage of a single covalent bond. Experimental data coupled with molecular quantum mechanical calculations strongly suggest that the breaking bond is located at one end of the polymer chain.
Hammad, Shaza M.; El-Wassefy, Noha; Maher, Ahmed; Fawakerji, Shafik M.
2017-01-01
ABSTRACT Objective: To evaluate the effect of silica dioxide (SiO2) nanofillers in different bonding systems on shear bond strength (SBS) and mode of failure of orthodontic brackets at two experimental times. Methods: Ninety-six intact premolars were divided into four groups: A) Conventional acid-etch and primer Transbond XT; B) Transbond Plus self-etch primer; and two self-etch bonding systems reinforced with silica dioxide nanofiller at different concentrations: C) Futurabond DC at 1%; D) Optibond All-in-One at 7%. Each group was allocated into two subgroups (n = 12) according to experimental time (12 and 24 hours). SBS test was performed using a universal testing machine. ARI scores were determined under a stereomicroscope. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to determine the size and distribution of nanofillers. One-way ANOVA was used to compare SBS followed by the post-hoc Tukey test. The chi-square test was used to evaluate ARI scores. Results: Mean SBS of Futurabond DC and Optibond All-in-One were significantly lower than conventional system, and there were no significant differences between means SBS obtained with all self-etch bonding systems used in the study. Lower ARI scores were found for Futurabond DC and Optibond All-in-One. There was no significant difference of SBS and ARI obtained at either time points for all bonding systems. Relative homogeneous distribution of the fillers was observed with the bonding systems. Conclusion: Two nanofilled systems revealed the lowest bond strengths, but still clinically acceptable and less adhesive was left on enamel. It is advisable not to load the brackets immediately to the maximum. PMID:28444018
Grijalva-Eternod, Carlos S; Wells, Jonathan C K; Girma, Tsinuel; Kæstel, Pernille; Admassu, Bitiya; Friis, Henrik; Andersen, Gregers S
2015-09-01
A midupper arm circumference (MUAC) <115 mm and weight-for-height z score (WHZ) or weight-for-length z score (WLZ) less than -3, all of which are recommended to identify severe wasting in children, often identify different children. The reasons behind this poor agreement are not well understood. We investigated the association between these 2 anthropometric indexes and body composition to help understand why they identify different children as wasted. We analyzed weight, length, MUAC, fat-mass (FM), and fat-free mass (FFM) data from 2470 measurements from 595 healthy Ethiopian infants obtained at birth and at 1.5, 2.5, 3.5, 4.5, and 6 mo of age. We derived WLZs by using 2006 WHO growth standards. We derived length-adjusted FM and FFM values as unexplained residuals after regressing each FM and FFM against length. We used a correlation analysis to assess associations between length, FFM, and FM (adjusted and nonadjusted for length) and the MUAC and WLZ and a multivariable regression analysis to assess the independent variability of length and length-adjusted FM and FFM with either the MUAC or the WLZ as the outcome. At all ages, length showed consistently strong positive correlations with the MUAC but not with the WLZ. Adjustment for length reduced observed correlation coefficients of FM and FFM with the MUAC but increased those for the WLZ. At all ages, both length-adjusted FM and FFM showed an independent association with the WLZ and MUAC with higher regression coefficients for the WLZ. Conversely, length showed greater regression coefficients for the MUAC. At all ages, the MUAC was shown to be more influenced than was the WLZ by the FM variability relative to the FFM variability. The MUAC and WLZ have different associations with body composition, and length influences these associations differently. Our results suggest that the WLZ is a good marker of tissue masses independent of length. The MUAC acts more as a composite index of poor growth indexing jointly
NASA Astrophysics Data System (ADS)
Bogovalov, S. V.; Borisevich, V. D.; Borman, V. D.; Tronin, I. V.; Tronin, V. N.
2016-06-01
Numerical modelling and optimization of the gas flow and isotope separation in the Iguasu gas centrifuge (GC) for uranium enrichment have been performed for different lengths of the rotor. The calculations show that the specific separative power of the GC reduces with the length of the rotor. We show that the reduction of the specific separative power is connected with the growth of the pressure in the optimal regime and corresponding growth of temperature to prevent the working gas sublimation. The specific separative power remains constant with the growth of the rotor length provided that the temperature of the gas is taken to be constant.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bogovalov, S. V.; Borisevich, V. D.; Borman, V. D.
Numerical modelling and optimization of the gas flow and isotope separation in the Iguasu gas centrifuge (GC) for uranium enrichment have been performed for different lengths of the rotor. The calculations show that the specific separative power of the GC reduces with the length of the rotor. We show that the reduction of the specific separative power is connected with the growth of the pressure in the optimal regime and corresponding growth of temperature to prevent the working gas sublimation. The specific separative power remains constant with the growth of the rotor length provided that the temperature of the gasmore » is taken to be constant.« less
Protonated Alcohols Are Examples of Complete Charge-Shift Bonds
DOE Office of Scientific and Technical Information (OSTI.GOV)
Anderson, Peter; Petit, Alban; Ho, Junming
2014-10-15
Accurate gas-phase and solution-phase valence bond calculations reveal that protonation of the hydroxyl group of aliphatic alcohols transforms the C–O bond from a principally covalent bond to a complete charge-shift bond with principally “no-bond” character. All bonding in this charge-shift bond is due to resonance between covalent and ionic structures, which is a different bonding mechanism from that of traditional covalent bonds. Until now, charge-shift bonds have been previously identified in inorganic compounds or in exotic organic compounds. This work showcases that charge-shift bonds can occur in common organic species.
A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen Bonds.
Wang, Changwei; Danovich, David; Shaik, Sason; Mo, Yirong
2017-04-11
Typical hydrogen and halogen bonds exhibit red-shifts of their vibrational frequencies upon the formation of hydrogen and halogen bonding complexes (denoted as D···Y-A, Y = H and X). The finding of blue-shifts in certain complexes is of significant interest, which has led to numerous studies of the origins of the phenomenon. Because charge transfer mixing (i.e., hyperconjugation in bonding systems) has been regarded as one of the key forces, it would be illuminating to compare the structures and vibrational frequencies in bonding complexes with the charge transfer effect "turned on" and "turned off". Turning off the charge transfer mixing can be achieved by employing the block-localized wave function (BLW) method, which is an ab initio valence bond (VB) method. Further, with the BLW method, the overall stability gained in the formation of a complex can be analyzed in terms of a few physically meaningful terms. Thus, the BLW method provides a unified and physically lucid way to explore the nature of red- and blue-shifting phenomena in both hydrogen and halogen bonding complexes. In this study, a direct correlation between the total stability and the variation of the Y-A bond length is established based on our BLW computations, and the consistent roles of all energy components are clarified. The n(D) → σ*(Y-A) electron transfer stretches the Y-A bond, while the polarization due to the approach of interacting moieties reduces the HOMO-LUMO gap and results in a stronger orbital mixing within the YA monomer. As a consequence, both the charge transfer and polarization stabilize bonding systems with the Y-A bond stretched and red-shift the vibrational frequency of the Y-A bond. Notably, the energy of the frozen wave function is the only energy component which prefers the shrinking of the Y-A bond and thus is responsible for the associated blue-shifting. The total variations of the Y-A bond length and the corresponding stretching vibrational frequency are thus
Shear bond strength of orthodontic color-change adhesives with different light-curing times
Bayani, Shahin; Ghassemi, Amirreza; Manafi, Safa; Delavarian, Mohadeseh
2015-01-01
Background: The purpose of this study was to evaluate the effect of light-curing time on the shear bond strength (SBS) of two orthodontic color-change adhesives (CCAs). Materials and Methods: A total of 72 extracted premolars were randomly assigned into 6 groups of 12 teeth each. Subsequent to primer application, a metal bracket was bonded to the buccal surface using an orthodontic adhesive. Two CCAs (Greengloo and Transbond Plus) were tested and one conventional light-cured adhesive (Resilience) served as control. For each adhesive, the specimens were light-cured for two different times of 20 and 40 s. All the specimens underwent mechanical testing using a universal testing machine to measure the SBS. Adhesive remnant index (ARI) was used to assess the remnant adhesive material on the tooth surface. All statistical analyses were performed using SPSS software. The significance level for all statistical tests was set at P ≤ 0.05. Results: The SBSs of the tested groups were in the range of 14.05-31.25 MPa. Greengloo adhesive showed the highest SBS values when light-cured for 40 s, and Transbond Plus adhesive showed the lowest values when light-cured for 20 s. ARI scores of Transbond Plus adhesive were significantly higher than those of controls, while other differences in ARI values were not significant. Conclusion: Within the limitations of his study, decreasing the light-curing time from 40 to 20 s decreased the SBS of the tested adhesives; however, this decline in SBS was statistically significant only in Transbond Plus adhesive PMID:26005468
48 CFR 1228.106-1 - Bonds and bond-related forms.
Code of Federal Regulations, 2010 CFR
2010-10-01
... GENERAL CONTRACTING REQUIREMENTS BONDS AND INSURANCE Bonds and Other Financial Protections 1228.106-1 Bonds and bond-related forms. (b) Standard Form (SF) 25, Performance Bond, prescribed at (FAR) 48 CFR 28...) shall not be used by contractors when a performance bond is required. ...
Makishi, P; André, C B; Ayres, Apa; Martins, A L; Giannini, M
2016-01-01
To investigate bond strength and nanoleakage expression of universal adhesives (UA) bonded to dentin and etched enamel. Extracted human third molars were sectioned and ground to obtain flat surfaces of dentin (n = 36) and enamel (n = 48). Dentin and etched enamel surfaces were bonded with one of two UAs, All-Bond Universal (ABU) or Scotchbond Universal (SBU); or a two-step self-etching adhesive, Clearfil SE Bond (CSEB). A hydrophobic bonding resin, Adper Scotchbond Multi-Purpose Bond (ASMP Bond) was applied only on etched enamel. Following each bonding procedure, resin composite blocks were built up incrementally. The specimens were sectioned and subjected to microtensile bond strength (MTBS) testing after 24 hours or one year water storage, or immersed into ammoniacal silver nitrate solution after aging with 10,000 thermocycles and observed using scanning electron microscopy. The percentage distribution of silver particles at the adhesive/tooth interface was calculated using digital image-analysis software. The MTBS (CSEB = SBU > ABU, for dentin; and CSEB > ABU = SBU = ASMP Bond, for etched enamel) differed significantly between the adhesives after 24 hours. After one year, MTBS values were reduced significantly within the same adhesive for both substrates (analysis of variance, Bonferroni post hoc, p<0.05), and no significant differences were found among the adhesives for etched enamel. Silver particles could be detected within the adhesive/dentin interface of all specimens tested. Kruskal-Wallis mean ranks for nanoleakage in ABU, SBU, and CSEB were 16.9, 18.5 and 11, respectively (p>0.05). In the short term, MTBS values were material and dental-substrate dependent. After aging, a decrease in bonding effectiveness was observed in all materials, with nanoleakage at the adhesive/dentin interface. The bonding of the UAs was equal or inferior to that of the conventional restorative systems when applied to either substrate and after either storage period.
ERIC Educational Resources Information Center
Magnasco, Valerio
2008-01-01
Orbital exponent optimization in the elementary ab-initio VB calculation of the ground states of H[subscript 2][superscript +], H[subscript 2], He[subscript 2][superscript +], He[subscript 2] gives a fair description of the exchange-overlap component of the interatomic interaction that is important in the bond region. Correct bond lengths and…
Jia, Liuhe; Stawarczyk, Bogna; Schmidlin, Patrick R; Attin, Thomas; Wiegand, Annette
2013-03-01
To analyze whether the contamination with a caries infiltrant system impairs the adhesive performance of etch-and-rinse and self-etching adhesives on dentin. Dentin contamination with the caries infiltrant system (Icon, DMG) was simulated by applying either hydrochloric acid (15 % HCl, Icon Etch, 15 s), the resin infiltrant (Icon infiltrant, 4 min), or both prior to the application of the respective adhesives (each group n = 10). In the control groups, the etch-and-rinse adhesive (Optibond FL, Kerr) and the self-etching adhesive (iBOND Self Etch, Hereaus) were applied without former contamination with the infiltrant system. Additionally, the adhesive performance of the resin infiltrant alone was tested. Shear bond strength of a nano-hybrid composite was analyzed after thermocycling (5,000×, 5-55°C) of the specimens and analyzed by ANOVA/Scheffé post hoc tests (p < 0.05) and Weibull statistics. Failure mode was inspected under a stereomicroscope at × 25 magnification. Contamination with the resin infiltrant alone did not impair shear bond strength, while contamination with hydrochloric acid or with hydrochloric acid and the resin infiltrant reduced shear bond strength (MPa) of the adhesives (Optibond FL: 20.5 ± 3.6, iBOND Self Etch: 17.9 ± 2.6) significantly. Hydrochloric acid contamination increased the number of adhesive failures. The adhesive performance of the caries infiltrant system alone was insufficient. The contamination with the caries infiltrant system impaired the shear bond strength of conventional dental adhesives. Contamination of the caries infiltrant system on dentin should be avoided due to the detrimental effect of hydrochloric acid etching.
Frost, Samuel J; Mawad, Damia; Wuhrer, Richard; Myers, Simon; Lauto, Antonio
2018-01-22
Extracellular matrices (ECMs) are often used in reconstructive surgery to enhance tissue regeneration and remodeling. Sutures and staples are currently used to fix ECMs to tissue although they can be invasive devices. Other sutureless and less invasive techniques, such as photochemical tissue bonding, cannot be coupled to ECMs because of their intrinsic opacity to light. We succeeded in fabricating a biocompatible and adhesive device that is based on ovine forestomach matrix (OFM) and a chitosan adhesive. The natural opacity of the OFM has been overcome by adding the adhesive into the matrix that allows for the light to effectively penetrate through it. The OFM-chitosan device is semitransparent (attenuation length ~ 106 µm) and can be photoactivated by green light to bond to tissue. This device does not require sutures or staples and guarantees a bonding strength of ~ 23 kPa. A new semitransparent and biocompatible bandage has been successfully fabricated and characterized for sutureless tissue bonding.
Moghaddas, Mohammad Javad; Hossainipour, Zahra; Majidinia, Sara; Ojrati, Najmeh
2017-01-01
Aim The aim of the present study was to determine the shear bond strength of self-adhesive resin cements to enamel and dentin with and without surface treatments, and compare them with conventional resin cement as the control group. Methods In this experimental study, buccal and lingual surface of the thirty sound human premolars were polished in order to obtain a flat surface of enamel (E) in buccal, and dentin (D) in lingual. Sixty feldspathic ceramic blocks (2×3×3 mm) were prepared and randomly divided into six groups (n=10). Each block was cemented to the prepared surface (30 enamel and 30 dentin surface) according to different protocol: E1 and D1; RelyX ARC as control group, E2, D2; RelyX Unicem, E3, D3; acid etching +RelyX Unicem. The specimens were termocycled and subjected to shear forces by a universal testing machine at a cross head speed of 0.5 mm/min. The mode of fracture were evaluated by stereomicroscope. Data were analyzed with descriptive statistical methods using SPSS version 15. One-way ANOVA, and post hoc Tukey tests were used to compare bond strengths between the groups with different adhesives at α=0.05. Results Statistical analysis showed no significant differences within the enamel subgroups, but there were significant differences within the dentinal subgroups, and statistically significant differences were found between the groups D1and D3 (p=0.02). Comparison between similar enamel and dentinal subgroups showed that there was a significant difference just between the subgroups E3 and D3 (p=0.01). Conclusion Elective etching of enamel did not lead to significant increase in the shear bond strength of RelyX Unicem in comparison to RelyX ARC. On the other hand, elective etching of dentin reduces the bond strength of RelyX Unicem with the dentin. PMID:28979732
Halogen bonding (X-bonding): A biological perspective
Scholfield, Matthew R; Zanden, Crystal M Vander; Carter, Megan; Ho, P Shing
2013-01-01
The concept of the halogen bond (or X-bond) has become recognized as contributing significantly to the specificity in recognition of a large class of halogenated compounds. The interaction is most easily understood as primarily an electrostatically driven molecular interaction, where an electropositive crown, or σ-hole, serves as a Lewis acid to attract a variety of electron-rich Lewis bases, in analogous fashion to a classic hydrogen bonding (H-bond) interaction. We present here a broad overview of X-bonds from the perspective of a biologist who may not be familiar with this recently rediscovered class of interactions and, consequently, may be interested in how they can be applied as a highly directional and specific component of the molecular toolbox. This overview includes a discussion for where X-bonds are found in biomolecular structures, and how their structure–energy relationships are studied experimentally and modeled computationally. In total, our understanding of these basic concepts will allow X-bonds to be incorporated into strategies for the rational design of new halogenated inhibitors against biomolecular targets or toward molecular engineering of new biological-based materials. PMID:23225628
Akin, Hakan; Kirmali, Omer; Tugut, Faik; Coskun, Mehmet Emre
2014-09-01
The purpose of this study was to investigate the effects of various surface pretreatments in the ridge lap area of acrylic resin denture teeth on the shear bond strength to heat-polymerized polymethylmethacrylate (PMMA) denture base resin. Tooth debonding of the denture is a major problem for patients with removable prostheses. A total of 84 central incisor denture teeth were used in this study. Seven test groups with 12 specimens for each group were prepared as follows: untreated (control, group C), ground, with a tungsten carbide bur (group H), airborne-particle abrasion (group AA), primed with methyl methacrylate (group M), treated with izobutyl methacrylate (group iBMA), Eclipse Bonding Agent applied (group E), and Er:YAG laser irradiated (group L). Test specimens were produced according to the manufacturers' instructions and mounted to a universal testing machine for shear testing with a crosshead speed of 1 mm/min. Data were evaluated by one way variance analysis (ANOVA) and Tukey's test (α=0.05). Similar bond strength values were found between groups L and M, and these were the highest shear bond strengths among the groups. The lowest one was observed in group E. All surface treatments, except group E, exhibited significant difference when compared with group C (p<0.05). Lasing of the ridge lap area to enhance the bond strength of acrylic resin denture teeth to PMMA denture base resin might be an alternative to wetting with MMA monomer. To overcome tooth debonding, surface treatment of the ridge lap area should be performed as part of denture fabrication.
NASA Astrophysics Data System (ADS)
Marques, Barbara A.; Navarro, Ricardo S.; Silvestre, Fellipe D.; Pinheiro, Sergio L.; Freitas, Patricia M.; Imparato, Jose Carlos P.; Oda, Margareth
2005-03-01
The aim of this study was to evaluate the tensile strength of different adhesive systems to primary tooth dentin prepared by high-speed drill and Er:YAG laser (2.94μm). Buccal surfaces of 38 primary canines were ground and flattened with sand paper disks (#120-600 grit) and distributed into five groups (n=15): G1: diamond bur in high-speed drill (HD)+ 35% phosphoric acid (PA)+Single Bond (SB); G2: HD+self-etching One Up Bond F (OUB);G3: Er:YAG laser (KaVo 3- LELO-FOUSP)(4Hz, 80mJ, 25,72J/cm2) (L)+PA+SB, G4: L+SB, G5: L+OUB. The inverted truncated cone samples built with Z-100 composite resin after storage in water (37°C/24h) were submitted to tensile bond strength test on Mini Instron 4442 (0.5mm/min, 500N). The data were analyzed with ANOVA and Tukey Test (p<0.05). The mean (MPa) were: G1-3.18(+/-1.24) G2-1.79(+/-0.73) G3-3.17(+/-0.44) G4-8.29(+/-1.86) G5-7.11(+/-2.07). The data analyzed with ANOVA and Tukey Test showed that Laser associated with PA+SB, SB or OUB lead to increased bonding values when compared to HD+PA+SB and HD+OUB (p=0.000), L+SB showed higher values than L+PA+SB and L+OUB (p=0.0311). Er:YAG laser radiation promoted significant increase of bond strength of different adhesive systems evaluated in the dentin of primary teeth.
Dynamic breaking of a single gold bond
NASA Astrophysics Data System (ADS)
Pobelov, Ilya V.; Lauritzen, Kasper Primdal; Yoshida, Koji; Jensen, Anders; Mészáros, Gábor; Jacobsen, Karsten W.; Strange, Mikkel; Wandlowski, Thomas; Solomon, Gemma C.
2017-07-01
While one might assume that the force to break a chemical bond gives a measure of the bond strength, this intuition is misleading. If the force is loaded slowly, thermal fluctuations may break the bond before it is maximally stretched, and the breaking force will be less than the bond can sustain. Conversely, if the force is loaded rapidly it is more likely that the maximum breaking force is measured. Paradoxically, no clear differences in breaking force were observed in experiments on gold nanowires, despite being conducted under very different conditions. Here we explore the breaking behaviour of a single Au-Au bond and show that the breaking force is dependent on the loading rate. We probe the temperature and structural dependencies of breaking and suggest that the paradox can be explained by fast breaking of atomic wires and slow breaking of point contacts giving very similar breaking forces.
Fahmy, Amal Ezzeldin; Farrag, Nadia Moustafa
2010-01-01
This in vitro study aimed to evaluate the gingival microleakage in class II cavities in primary molars restored with a low shrink silorane resin composite (Filtek P90) or a nanohybride composite resin (Filtek supreme XT) using three different techniques, (total bonding, closed or open sandwich techniques) lined by nano-filled resin modified glass ionomer cement RMGIC (Ketac N100). Additionally, the shear punch bond strength between the two types of composite and KNIO0 was also examined. For microleakage test, two standardized class II slot cavities were prepared in proximal surfaces of 60 sound extracted primary molars which were divided into 2 groups of 30 each according to the type of composite. Each group was subdivided into 3 groups (n = 10) according to the restorative technique used. The restored teeth were examined for microleakage after immersion in 2% methylene blue dye using stereomicroscope at 20 X. Microleakage scores among the groups were compared using Kruskal Wallis test followed by pair wise Mann Whitney U test at P < or = 0.05. Thirty disc specimens were prepared for determining the shear punch bond strength between the two composite materials and the KN100. Specimens were divided into 5 groups (n = 6) according to the adhesive protocol. The differences in mean bond strength values in MPa between groups were statistically analyzed using ANOVA followed by pair wise Tukey Post hoc test at P < or = 0. 05. Mode of failure was also evaluated for all groups. Both the silorane resin and nano-composite resin showed superior marginal seal with the total bonding technique compared to closed and open sandwich techniques. The recorded mean shear punch bond strength values showed no statistical significant difference between the two resin composites without or with their adhesive bonding systems when bonded to the nano-ionomer. All specimens showed cohesive mode of failures except for silorane resin with Adper Easy Bond Self Etch Adhesive (AEBSEA) which showed
Durable wood bonding with epoxy adhesives
Charles R. Frihart
2003-01-01
Although wood was one of the earliest materials to be adhesively bonded, the factors that contribute to strong wood bonds are still not well understood. Wood is a very complex substrate in that it is non-uniform in most aspects. On the macro scale, it is a porous structure with different sized and shaped voids for fluid flow. The structural cells contain four different...
Yang, Bing; Jiang, Xin; Guo, Qing; Lei, Tao; Zhang, Li-Ping; Chen, Bin; Tung, Chen-Ho; Wu, Li-Zhu
2016-05-17
The oxidation of water to molecular oxygen is the key step to realize water splitting from both biological and chemical perspective. In an effort to understand how water oxidation occurs on a molecular level, a large number of molecular catalysts have been synthesized to find an easy access to higher oxidation states as well as their capacity to make O-O bond. However, most of them function in a mixture of organic solvent and water and the O-O bond formation pathway is still a subject of intense debate. Herein, we design the first amphiphilic Ru-bda (H2 bda=2,2'-bipyridine-6,6'-dicarboxylic acid) water oxidation catalysts (WOCs) of formula [Ru(II) (bda)(4-OTEG-pyridine)2 ] (1, OTEG=OCH2 CH2 OCH2 CH2 OCH3 ) and [Ru(II) (bda)(PySO3 Na)2 ] (2, PySO3 (-) =pyridine-3-sulfonate), which possess good solubility in water. Dynamic light scattering (DLS), scanning electron microscope (SEM), critical aggregation concentration (CAC) experiments and product analysis demonstrate that they enable to self-assemble in water and form the O-O bond through different routes even though they have the same bda(2-) backbone. This work illustrates for the first time that the O-O bond formation pathway can be regulated by the interaction of ancillary ligands at supramolecular level. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Analysis of the bonding in XH3Cu+ (XB, Al, Ga) complexes
NASA Astrophysics Data System (ADS)
Corral, Inés; Mó, Otilia; Yáñez, Manuel
High-level density functional theory (DFT) calculations on XH3Cu+ (XB, Al, Ga) complexes show that the attachment of the metal cation to the base takes place through agostic-type interactions. These interactions that can be viewed as dative bonds from the σXH bonding orbitals of the base toward low-lying empty 4s orbitals of the metal cation, and back-donations from the lone pairs of the metal into the σ *XH antibonding orbitals of the neutral, are particularly favored when the XH bonds have a high X+δH-δ polarity. Accordingly, the AlH3 and GaH3 Cu+ binding energies are very similar, but much larger than that of BH3. Depopulation of the σXH bonding orbital and the concomitant population of the σ *XH antibonding orbital involved in the agostic interaction result in a significant weakening of the corresponding XH linkages, whose bond length increases and whose stretching frequency appears red-shifted.
NASA Astrophysics Data System (ADS)
Suresh, D. M.; Amalanathan, M.; Sebastian, S.; Sajan, D.; Hubert Joe, I.; Bena Jothy, V.; Nemec, Ivan
2013-11-01
The molecular geometry, the normal mode frequencies and corresponding vibrational assignments, natural bond orbital analysis and the HOMO-LUMO analysis of 7-Amino-2,4-dimethylquinolinium formate in the ground state were performed by B3LYP levels of theory using the 6-31G(d) basis set. The optimised bond lengths and bond angles are in good agreement with the X-ray data. The vibrational spectra of the title compound which is calculated by DFT method, reproduces vibrational wave numbers and intensities with an accuracy which allows reliable vibrational assignments. The possibility of N-H⋯O hydrogen bonding was identified using NBO analysis. Natural bond orbital analysis confirms the presence of intramolecular charge transfer and the hydrogen bonding interaction.
Evidence for a novel chemisorption bond: Formate (HCO/sub 2/) on Cu(100)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Stoehr, J.; Outka, D.A.; Madix, R.J.
1985-03-25
Surface extended-x-ray-absorption fine-structure measurements reveal that formate (HCO/sub 2/) groups on Cu(100) chemisorb via the two oxygen atoms in adjacent fourfold hollow sites with an average O-Cu nearest-neighbor bond length of 2.38 +- 0.03 A. This distance is sig- nificantly (approx.0.4 A) longer than typical O-Cu bonds in bulk compounds and all known surface complexes. The unusually large O-Cu distance is attributed to a steric effect involving the C atom in HCO/sub 2/ and the nearest-neighbor Cu surface atoms.
Voracek, Martin; Fisher, Maryanne L; Rupp, Barbara; Lucas, Deanna; Fessler, Daniel M T
2007-06-01
Foot size proportionate to stature is smaller in women than in men, and small feet apparently contribute to perceived physical attractiveness of females. This exploratory study investigated the sex difference in relative foot length and interrelations among foot length, physique, and foot preference ratings in samples from Austria and Canada, each comprised of 75 men and 75 women. The findings included the following lines of evidence: the sex difference in relative foot length replicated in both data sets; the magnitude of this sex effect was large. Relative foot length was smaller in young, nulliparous, and slim women. Pointed-toe and high-heel shoes were more likely worn by smaller, lighter, and slimmer women. Men reported liking women's feet in general more than vice versa. A vast majority of both men and women favored small feet in women, but large feet in men. One's own foot size appeared to correspond to evaluations of attractiveness; particularly, women with small feet preferred small feet in women in general. The preference for small feet in women was convergent across different methods of evaluating attractiveness. Directions for investigations in this emerging field of research on physical attractiveness are discussed.
Flowable composites for bonding orthodontic retainers.
Tabrizi, Sama; Salemis, Elio; Usumez, Serdar
2010-01-01
To test the null hypothesis that there are no statistically significant differences between flowables and an orthodontic adhesive tested in terms of shear bond strength (SBS) and pullout resistance. To test the SBS of Light Bond, FlowTain, Filtek Supreme, and Tetric Flow were applied to the enamel surfaces of 15 teeth. Using matrices for application, each composite material was cured for 40 seconds and subjected to SBS testing. To test pullout resistance, 15 samples were prepared for each composite in which a wire was embedded; then the composite was cured for 40 seconds. Later, the ends of the wire were drawn up and tensile stress was applied until the resin failed. Findings were analyzed using an ANOVA and a Tukey HSD test. The SBS values for Light Bond, FlowTain, Filtek Supreme, and Tetric Flow were 19.0 +/- 10.9, 14.7 +/- 9.3, 22.4 +/- 16.3, and 16.8 +/- 11.8 MPa, respectively, and mean pullout values were 42.2 +/- 13.0, 24.0 +/- 6.9, 26.3 +/- 9.4, and 33.8 +/- 18.0 N, respectively. No statistically significant differences were found among the groups in terms of SBS (P > .05). On the other hand, Light Bond yielded significantly higher pullout values compared with the flowables Filtek Supreme and Flow-Tain (P < .01). However, there were no significant differences among the pullout values of flowables, nor between Light Bond and Tetric Flow (P > .05). The hypothesis is rejected. Light Bond yielded significantly higher pullout values compared with the flowables Filtek Supreme and FlowTain. However, flowable composites provided satisfactory SBS and wire pullout values, comparable to a standard orthodontic resin, and therefore can be used as an alternative for direct bonding of lingual retainers.
Heravi, Farzin; Moazzami, Saied Mostafa; Ghaffari, Negin; Jalayer, Javad; Bozorgnia, Yasaman
2013-11-21
Although using light-cured composites for bonding orthodontic brackets has become increasingly popular, curing light cannot penetrate the metallic bulk of brackets and polymerization of composites is limited to the edges. Limited access and poor direct sight may be a problem in the posterior teeth. Meanwhile, effectiveness of the trans-illumination technique is questionable due to increased bucco-lingual thickness of the posterior teeth. Light-emitting diode (LED) light-curing units cause less temperature rise and lower risk to the pulpal tissue. The purpose of this study was to evaluate the clinical effectiveness of trans-illumination technique in bonding metallic brackets to premolars, using different light intensities and curing times of an LED light-curing unit. Sixty premolars were randomly divided into six groups. Bonding of brackets was done with 40- and 80-s light curing from the buccal or lingual aspect with different intensities. Shear bond strengths of brackets were measured using a universal testing machine. Data were analyzed by one-way analysis of variance test and Duncan's post hoc test. The highest shear bond belonged to group 2 (high intensity, 40 s, buccal) and the lowest belonged to group 3 (low intensity, 40 s, lingual). Bond strength means in control groups were significantly higher than those in experimental groups. In all experimental groups except group 6 (80 s, high intensity, lingual), shear bond strength was below the clinically accepted values. In clinical limitations where light curing from the same side of the bracket is not possible, doubling the curing time and increasing the light intensity during trans-illumination are recommended for achieving acceptable bond strengths.
Jabłoński, Mirosław
2016-06-23
Using three theoretical methods, QTAIM, IQA, and NCI, we analyze an influence of halogen atoms X (X = F, Cl) substituted at various positions in the -SiH3-nXn group on the charge density distribution within the η(2)-SiH bond and on the SiH bond energies in Cp(OC)2Mn[η(2)-H(SiH3-nXn)] complexes and isolated HSiH3-nXn molecules. It is shown that shortening of the η(2)-SiH bond in Cp(OC)2Mn[η(2)-H(SiH3-nXn)] complexes should be considered as a normal inductive result of halogenation. This η(2)-SiH bond's compression may, however, be overcome by a predominant elongation resulting from a contingent presence of a halogen atom at position trans to the η(2)-SiH bond. This trans effect is particularly large for bulky and highly polarizable chlorine. Moreover, peculiar properties of the trans chlorine atom are manifested in several ways. To explain the origin of all the observed changes in both the length and the electron charge distribution of the η(2)-SiH bond in investigated Cp(OC)2Mn[η(2)-H(SiH3-nXn)] complexes a new model, called the Conciliatory Inductive Model, is being proposed.
Limitations in Bonding to Dentin and Experimental Strategies to Prevent Bond Degradation
Liu, Y.; Tjäderhane, L.; Breschi, L.; Mazzoni, A.; Li, N.; Mao, J.; Pashley, D.H.; Tay, F.R.
2011-01-01
The limited durability of resin-dentin bonds severely compromises the lifetime of tooth-colored restorations. Bond degradation occurs via hydrolysis of suboptimally polymerized hydrophilic resin components and degradation of water-rich, resin-sparse collagen matrices by matrix metalloproteinases (MMPs) and cysteine cathepsins. This review examined data generated over the past three years on five experimental strategies developed by different research groups for extending the longevity of resin-dentin bonds. They include: (1) increasing the degree of conversion and esterase resistance of hydrophilic adhesives; (2) the use of broad-spectrum inhibitors of collagenolytic enzymes, including novel inhibitor functional groups grafted to methacrylate resins monomers to produce anti-MMP adhesives; (3) the use of cross-linking agents for silencing the activities of MMP and cathepsins that irreversibly alter the 3-D structures of their catalytic/allosteric domains; (4) ethanol wet-bonding with hydrophobic resins to completely replace water from the extrafibrillar and intrafibrillar collagen compartments and immobilize the collagenolytic enzymes; and (5) biomimetic remineralization of the water-filled collagen matrix using analogs of matrix proteins to progressively replace water with intrafibrillar and extrafibrillar apatites to exclude exogenous collagenolytic enzymes and fossilize endogenous collagenolytic enzymes. A combination of several of these strategies should result in overcoming the critical barriers to progress currently encountered in dentin bonding. PMID:21220360
DOE Office of Scientific and Technical Information (OSTI.GOV)
Park, G. Barratt; Jiang, Jun; Field, Robert W.
Here the C 1B 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 v' 3 progression. We have recently made the first observation of low-lying levels with odd quanta of v' 3, 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,more » 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 1A 1 state and indirect coupling with the repulsive 3 1A 1 state. The degree of staggering in the v' 3 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 1A 1 surface at a bond angle of ~145°.« less
Park, G. Barratt; Jiang, Jun; Field, Robert W.
2016-04-14
Here the C 1B 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 v' 3 progression. We have recently made the first observation of low-lying levels with odd quanta of v' 3, 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,more » 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 1A 1 state and indirect coupling with the repulsive 3 1A 1 state. The degree of staggering in the v' 3 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 1A 1 surface at a bond angle of ~145°.« less
Zhou, Dan; Niu, Jiqiang
2017-01-01
Trains with different numbers of cars running in the open air were simulated using the delayed detached-eddy simulation (DDES). The numbers of cars included in the simulation are 3, 4, 5 and 8. The aim of this study was to investigate how train length influences the boundary layer, the wake flow, the surface pressure, the aerodynamic drag and the friction drag. To certify the accuracy of the mesh and methods, the drag coefficients from numerical simulation of trains with 3 cars were compared with those from the wind tunnel test, and agreement was obtained. The results show that the boundary layer is thicker and the wake vortices are less symmetric as the train length increases. As a result, train length greatly affects pressure. The upper surface pressure of the tail car reduced by 2.9%, the side surface pressure of the tail car reduced by 8.3% and the underneath surface pressure of the tail car reduced by 19.7% in trains that included 3 cars to those including 8 cars. In addition, train length also has a significant effect on the friction drag coefficient and the drag coefficient. The friction drag coefficient of each car in a configuration decreases along the length of the train. In a comparison between trains consisting of 3 cars to those consisting of 8 cars, the friction drag coefficient of the tail car reduced by 8.6% and the drag coefficient of the tail car reduced by 3.7%. PMID:29261758
Push-out bond strength of different tricalcium silicate-based filling materials to root dentin.
Stefaneli Marques, Jorge Henrique; Silva-Sousa, Yara Teresinha Corrêa; Rached-Júnior, Fuad Jacob Abi; Macedo, Luciana Martins Domingues de; Mazzi-Chaves, Jardel Francisco; Camilleri, Josette; Sousa-Neto, Manoel Damião
2018-03-08
The aim of this study was to evaluate the bond strength of different triccalcium silicate cements to retrograde cavity using a push out test. Thirty maxillary central incisors were shaped using #80 hand files and sectioned transversally. Root slices were obtained from the apical 4 mm after eliminating the apical extremity. The specimens were embedded in acrylic resin and positioned at 45° to the horizontal plane for preparation of root-end cavities with a diamond ultrasonic retrotip. The samples were divided into three groups according to the root-end filling material (n = 10): MTA Angelus, ProRoot MTA and Biodentine. A gutta-percha cone (#80) was tugged-back at the limit between the canal and the root-end cavity. The root-end cavity was filled and the gutta-percha cone was removed after complete setting of the materials. The specimens were placed in an Instron machine with the root-end filling turned downwards. The push-out shaft was inserted in the space previously occupied by the gutta-percha cone and push out testing was performed at a crosshead speed of 1.0 mm/min. There was no statistically significant difference in resistance to push out by the materials tested (p > 0.01). MTA Angelus and ProRoot MTA showed predominantly mixed failure while Biodentine exhibited mixed and cohesive failures. The tricalcium silicate-based root-end filling materials showed similar bond strength retrograde cavity.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 26 Internal Revenue 2 2012-04-01 2012-04-01 false Qualified small issue bonds, qualified student loan bonds, and qualified redevelopment bonds. 1.144-1 Section 1.144-1 Internal Revenue INTERNAL...) Tax Exemption Requirements for State and Local Bonds § 1.144-1 Qualified small issue bonds, qualified...
Code of Federal Regulations, 2013 CFR
2013-04-01
... 26 Internal Revenue 2 2013-04-01 2013-04-01 false Qualified small issue bonds, qualified student loan bonds, and qualified redevelopment bonds. 1.144-1 Section 1.144-1 Internal Revenue INTERNAL...) Tax Exemption Requirements for State and Local Bonds § 1.144-1 Qualified small issue bonds, qualified...
Code of Federal Regulations, 2010 CFR
2010-04-01
... 26 Internal Revenue 2 2010-04-01 2010-04-01 false Qualified small issue bonds, qualified student loan bonds, and qualified redevelopment bonds. 1.144-1 Section 1.144-1 Internal Revenue INTERNAL...) Tax Exemption Requirements for State and Local Bonds § 1.144-1 Qualified small issue bonds, qualified...
Code of Federal Regulations, 2014 CFR
2014-04-01
... 26 Internal Revenue 2 2014-04-01 2014-04-01 false Qualified small issue bonds, qualified student loan bonds, and qualified redevelopment bonds. 1.144-1 Section 1.144-1 Internal Revenue INTERNAL...) Tax Exemption Requirements for State and Local Bonds § 1.144-1 Qualified small issue bonds, qualified...