Science.gov

Sample records for adper single bond

  1. Micro-tensile bond strength of different adhesive systems on sound dentin and resin-based composite: An in-vitro study

    PubMed Central

    Mallick, Rashmirekha; Sarangi, Priyanka; Mohanty, Sandhyarani; Behera, Subasish; Nanda, Soumyaranjan; Satapathy, Sukanta Kumar

    2015-01-01

    Aim: To analyze the difference in the micro-tensile bond strength of specimens made with two different adhesive systems and compare them with two homogenous substrates. Materials and Methods: Sixty permanent mandibular molars were mounted in acrylic blocks and sectioned with exposed dentin surfaces. Samples were then divided into four groups. To Group-I Adper Single Bond 2 and to Group-II Adper Self-Etch plus bonding agents were applied. For Group-I and Group-II beams consisted of resin composite in the upper half and dentin in the lower half. In Group-III beams were made of only dentin. In Group-IV beams were made of only composite. Fifteen specimens of each group were taken for the micro-tensile bond strength test. Statistical Analysis: The results are analyzed using one-way analysis of variance and Critical Difference test. Results: The interface bonded with the two adhesive systems had lower micro-tensile bond strength than those of dentin and resin composite and the self-etching adhesive Adper Self-Etch plus had comparable bond strength with total-etch adhesive Adper Single Bond 2. Conclusion: The bond strength values for current adhesive systems cannot be compared to the micro-tensile bond strength of dentin and resin composite, and self-etching adhesives have comparable bond strength with total-etch adhesives. PMID:26430301

  2. The effect of cavity disinfectants on the micro-shear bond strength of dentin adhesives

    PubMed Central

    Elkassas, Dina Wafik; Fawzi, Elham Mostafa; El Zohairy, Ahmed

    2014-01-01

    Objectives: This study was carried out to examine the effect of application of four different disinfecting agents on the micro-shear bond strength (μ-SBS) of an etch-and-rinse and self-etch adhesive systems. Materials and Methods: One hundred flat dentin surfaces of human molars were produced by wet grinding the buccal surfaces. Specimens were randomly assigned to five groups according to the disinfectant used: Group I: Control (no disinfectant); Group II: 5.25% sodium hypochlorite based; Group III: 2% chlorhexidine based (Consepsis), Group IV: 0.1% benzalkoniumchloride based (Tubulicid red) and Group V: 3% doxycycline based (Biopure, MTAD). Specimens were bonded using either Adper Single Bond 2 or Clearfil S3 Bond, which were employed according to the manufacturer's instructions. Resin composite microcylinders were bonded using Tygon® tubes for μ-SBS testing. The modes of failure were noted after visual examination using a binocular stereomicroscope at ×25 magnification. Failures were classified as adhesive, or mixed. μ-SBS results were analyzed using two-way ANOVA followed by Tukey's post-hoc test. Results: Dentin disinfectants tested significantly negated the bonding of Adper Single bond 2 and the groups were ranked; Group I > Group V = Group IV > Group II = Group III, meanwhile they enhanced significantly the μ-SBS values upon using Clearfil S3 Bond and were ranked; Group II > Group III = Group IV = Group V > Group I. Most failures were adhesive with the Adper single bond adhesive system. Mixed modes of failure were evident with Clearfil S3 bond. Conclusions: The disinfectants tested should not be used with Adper Single Bond 2 when applied before the etching step, However they could be used safely prior to bonding with Clearfil S3 Bond. PMID:24966768

  3. Effects of endodontic tri-antibiotic paste on bond strengths of dentin adhesives to coronal dentin

    PubMed Central

    Mirzakoucheki, Parvin; Walter, Ricardo; Jahromi, Maryam Zare; Mirsattari, Sanaz; Akbarzadeh, Navid

    2015-01-01

    Objectives The aim of this study was to evaluate the effects of tri-antibiotic paste (TAP) on microtensile bond strengths (MTBS) of dental adhesives to dentin. Materials and Methods Sixty extracted molars had their occlusal surfaces flattened to expose dentin. They were divided into two groups, i.e., control group with no dentin treatment and experimental group with dentin treatment with TAP. After 10 days, specimens were bonded using self-etch (Filtek P90 adhesive) or etch-and-rinse (Adper Single Bond Plus) adhesives and restored with composite resin. Teeth were sectioned into beams, and the specimens were subjected to MTBS test. Data were analyzed using two-way ANOVA and post hoc Tukey tests. Results There was a statistically significant interaction between dentin treatment and adhesive on MTBS to coronal dentin (p = 0.003). Despite a trend towards worse MTBS being noticed in the experimental groups, TAP application showed no significant effect on MTBS (p = 0.064). Conclusions The etch-and-rinse adhesive Adper Single Bond Plus presented higher mean bond strengths than the self-etch adhesive Filtek P90, irrespective of the group. The superior bond performance for Adper Single Bond when compared to Filtek P90 adhesive was confirmed by a fewer number of adhesive failures. The influence of TAP in bond strength is insignificant. PMID:25984475

  4. INFLUENCE OF DIFFERENT ADHESIVE SYSTEMS ON THE PULL-OUT BOND STRENGTH OF GLASS FIBER POSTS

    PubMed Central

    da Silva, Luciana Mendonça; de Andrade, Andréa Mello; 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°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; α=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. PMID:19089224

  5. Force spectroscopy on single passive biomolecules and single biomolecular bonds

    NASA Astrophysics Data System (ADS)

    Merkel, Rudolf

    2001-06-01

    This article describes the recent development of the rapidly expanding field of single molecule force spectroscopy. As the advancement of this field was dictated by technical progress, a large part of this review is focussed on methodological aspects. Moreover, several instructive experiments will be presented. However, it is already impossible to cover the whole field in one review article. Experiments on stretching of single polymers, on force induced dissociation of single bonds, and on unfolding of multidomain proteins are covered whereas active molecules (molecular motors) will be excluded. The physical interpretation of the selected experiments is addressed. The connection between the experimental results and the underlying microscopic properties of the molecules and their respective bonds will be discussed. Especially kinetic effects are of high importance for the interpretation of these experiments.

  6. 27 CFR 70.282 - Single bond in lieu of multiple bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 2 2010-04-01 2010-04-01 false Single bond in lieu of multiple bonds. 70.282 Section 70.282 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND... ADMINISTRATION Collection of Excise and Special (Occupational) Tax Bonds § 70.282 Single bond in lieu of...

  7. 26 CFR 301.7102-1 - Single bond in lieu of multiple bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 18 2010-04-01 2010-04-01 false Single bond in lieu of multiple bonds. 301.7102-1 Section 301.7102-1 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) PROCEDURE AND ADMINISTRATION PROCEDURE AND ADMINISTRATION Bonds § 301.7102-1 Single bond in...

  8. Theoretical characterization of the sulfilimine bond: Double or single?

    NASA Astrophysics Data System (ADS)

    Pichierri, Fabio

    2010-03-01

    Using quantum mechanical calculations in combination with AIM and NBO analyses, we investigate the properties of the sulfilimine bond, which has been recently detected in collagen IV [Vanacore et al., Science 325 (2009) 1230]. Contrary to the general belief that this is a double bond, -N dbnd S<, our analysis of the wavefunction of a model compound indicates it being a coordinate covalent (dative) single bond, -N ← S<, with a strong polarization towards nitrogen.

  9. Composite bonding to stainless steel crowns using a new universal bonding and single-bottle systems.

    PubMed

    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.

  10. Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds.

    PubMed

    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 CCl4 . 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).

  11. Effect of chlorhexidine application on the bond strength of resin core to axial dentin in endodontic cavity

    PubMed Central

    Kim, Yun-Hee

    2012-01-01

    Objectives This study evaluated the influence of chlorhexidine (CHX) on the microtensile bonds strength (µTBS) of resin core with two adhesive systems to dentin in endodontic cavities. Materials and Methods Flat dentinal surfaces in 40 molar endodontic cavities were treated with self-etch adhesive system, Contax (DMG) and total-etch adhesive system, Adper Single Bond 2 (3M ESPE) after the following surface treatments: (1) Priming only (Contax), (2) CHX for 15 sec + rinsing + priming (Contax), (3) Etching with priming (Adper Single Bond 2), (4) Etching + CHX for 15 sec + rinsing + priming (Adper Single Bond 2). Resin composite build-ups were made with LuxaCore (DMG) using a bulk method and polymerized for 40 sec. For each condition, half of specimens were submitted to µTBS after 24 hr storage and half of them were submitted to thermocycling of 10,000 cycles between 5℃ and 55℃ before testing. The data were analyzed using ANOVA and independent t-test at a significance level of 95%. Results CHX pre-treatment did not affect the bond strength of specimens tested at the immediate testing period, regardless of dentin surface treatments. However, after 10,000 thermocycling, all groups showed reduced bond strength. The amount of reduction was greater in groups without CHX treatments than groups with CHX treatment. These characteristics were the same in both self-etch adhesive system and total-etch adhesive system. Conclusions 2% CHX application for 15 sec proved to alleviate the decrease of bond strength of dentin bonding systems. No significant difference was shown in µTBS between total-etching system and self-etching system. PMID:23429851

  12. Single-electron aerogen bonds: Do they exist?

    NASA Astrophysics Data System (ADS)

    Esrafili, Mehdi D.; Mohammadian-Sabet, Fariba; Solimannejad, Mohammad

    2016-08-01

    A novel type of σ-hole interaction is characterized between some noble gas containing molecules (KrOF2, KrO3, XeOF2 and XeO3) and methyl (CH3) or ethyl (C2H5) radical by means of ab initio calculations. This interaction is named as single-electron aerogen bond (SEAB), in view of the concepts of aerogen bond and single-electron bond interactions. The properties of SEABs are studied by molecular electrostatic potential, quantum theory of atom in molecules, natural bonding orbital and noncovalent interaction index analyses. The formation of an O⋯H interaction tends to increase the strength of the SEAB, when they coexist in a ternary complex.

  13. Impact of oxalate desensitizer combined with ethylene-diamine tetra acetic acid-conditioning on dentin bond strength of one-bottle adhesives during dry bonding

    PubMed Central

    Shafiei, Fereshteh; Doozandeh, Maryam

    2013-01-01

    Background: Elimination of water entrapment in hybrid layer during bonding procedure would increase bonding durability. Aims: This study evaluated the effect of oxalate desensitizer (OX) pretreatment on bond strength of three one-bottle adhesives to ethylene-diamine tetra acetic acid (EDTA)-conditioned dentin under dry bonding. Materials and Methods: Three adhesive systems, One-Step Plus (OS), Optibond Solo Plus (OP) and Adper Single Bond (SB) were bonded on dentin surfaces under four bonding conditions: (1) Wet-bonding on acid-etched dentin, (2) wet bonding on EDTA-conditioned dentin, (3) dry bonding on EDTA-conditioned dentin, (4) dry bonding associated with OX on the EDTA-conditioned dentin. After storage and thermo cycling, shear bond strength test was performed. Data were analyzed using two-way analysis of variance and Tukey tests. Results: Wet bonding with EDTA or acid etching showed similar bond strength for test adhesives. Dry bonding with EDTA significantly decreased the bond strength of OS, but it had no effect on the bonding of OP and SB. OX application in the forth bonding condition, in comparison with the third condition, had a negative effect on the bond strength of OP, but not influence on OS and SB. Conclusions: The use of an OX on EDTA-conditioned dentin compromised the bonding efficacy of OS and OP under dry bonding but compatible for SB. PMID:23833461

  14. Microwave Induced Direct Bonding of Single Crystal Silicon Wafers

    NASA Technical Reports Server (NTRS)

    Budraa, N. K.; Jackson, H. W.; Barmatz, M.

    1999-01-01

    We have heated polished doped single-crystal silicon wafers in a single mode microwave cavity to temperatures where surface to surface bonding occurred. The absorption of microwaves and heating of the wafers is attributed to the inclusion of n-type or p-type impurities into these substrates. A cylindrical cavity TM (sub 010) standing wave mode was used to irradiate samples of various geometry's at positions of high magnetic field. This process was conducted in vacuum to exclude plasma effects. This initial study suggests that the inclusion of impurities in single crystal silicon significantly improved its microwave absorption (loss factor) to a point where heating silicon wafers directly can be accomplished in minimal time. Bonding of these substrates, however, occurs only at points of intimate surface to surface contact. The inclusion of a thin metallic layer on the surfaces enhances the bonding process.

  15. Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single Bonds.

    PubMed

    Levine, Daniel S; Horn, Paul R; Mao, Yuezhi; Head-Gordon, Martin

    2016-10-11

    We have designed an energy decomposition analysis (EDA) to gain a deeper understanding of single chemical bonds, that is, those in which the interacting fragments are doublet open-shell systems but the supersystem is closed-shell. The method is a spin-pure extension of the absolutely localized molecular orbital (ALMO) EDA to the one-pair perfect pairing energy (equivalently to an active space of two electrons in two orbitals). The total interaction energy is broken up into four terms: frozen interactions, spin-coupling, polarization, and charge-transfer. A variety of single bonds are analyzed and, in addition, we use this method to show how solvation changes the nature of bonds, producing different results in the gas-phase and with explicit solvent molecules.

  16. The single donator-single acceptor hydrogen bonding structure in water probed by Raman spectroscopy.

    PubMed

    Sun, Qiang

    2010-02-07

    In this work, the Raman spectra of aqueous C(12)E(5) solutions are recorded and utilized to demonstrate the existence of single donator-single acceptor (DA) hydrogen bonding in water. From Raman OH stretching bands of aqueous C(12)E(5) solutions, the relative intensity of 3430 cm(-1) subband increases with C(12)E(5) concentrations. For confined water, the DA hydrogen bonding can be expected to be the important hydrogen bonding species. Therefore, the 3430 cm(-1) component can be ascribed to OH vibration engaged in DA hydrogen bonding. This is in agreement with our recent explanation on Raman OH stretching band of water. For water at ambient conditions, the double donor-double acceptor (DDAA) and DA should be the dominant hydrogen bonding species, the ratio of DDAA to DA can be approximately to be 0.75:1, and the mean hydrogen bonding can be determined to be 2.75.

  17. The single donator-single acceptor hydrogen bonding structure in water probed by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Sun, Qiang

    2010-02-01

    In this work, the Raman spectra of aqueous C12E5 solutions are recorded and utilized to demonstrate the existence of single donator-single acceptor (DA) hydrogen bonding in water. From Raman OH stretching bands of aqueous C12E5 solutions, the relative intensity of 3430 cm-1 subband increases with C12E5 concentrations. For confined water, the DA hydrogen bonding can be expected to be the important hydrogen bonding species. Therefore, the 3430 cm-1 component can be ascribed to OH vibration engaged in DA hydrogen bonding. This is in agreement with our recent explanation on Raman OH stretching band of water. For water at ambient conditions, the double donor-double acceptor (DDAA) and DA should be the dominant hydrogen bonding species, the ratio of DDAA to DA can be approximately to be 0.75:1, and the mean hydrogen bonding can be determined to be 2.75.

  18. Self-etch bonding agent beneath sealant: Bond strength for laser-irradiated enamel

    PubMed Central

    Borsatto, Maria Cristina; Giuntini, Jackelline de Lemes; Contente, Marta Maria Martins Giamatei; Gomes-Silva, Jaciara Miranda; Torres, Carolina Paes; Galo, Rodrigo

    2013-01-01

    Objectives: This study evaluated the in vitro shear bond strength (SBS) of a resin-based pit-and-fissure sealant (Fluroshield [F], Dentsply/Caulk) associated with either an etch-and-rinse (Adper Single Bond 2 [SB], 3M/ESPE) or a two-step self-etch adhesive system (Adper SE Plus [SE], 3M/ESPE) on Er: YAG laser-irradiated enamel. Materials and Methods: Seventeen sound third molar crowns were embedded in acrylic resin, and the mesial–distal enamel surfaces were flattened. The enamel sites were irradiated with a 2.94-μm wavelength Er: YAG laser (120 mJ, 4 Hz, noncontact mode/17 mm, 20 s). The specimens were randomly assigned to three groups according to the bonding technique: I - 37% phosphoric acid etching + SB + F; II - SE + F and III - F applied to acid-etched enamel, without an intermediate layer of bonding agent. In all of the groups, a 3-mm diameter enamel-bonding site was demarcated and the sealant cylinders were bonded. After 24 hours in distilled water, the shear bond strength was tested at a crosshead speed of 0.5 mm/minute. The data were analyzed by one-way ANOVA and Tukey's test. The debonded specimens were examined with a stereomicroscope to assess the failure modes. Results: The mean SBS values in MPa were I = 6.39 (±1.44); II = 9.50 (±2.79); and III = 5.26 (±1.82). No statistically significant differences were observed between groups I and III; SE/F presented a significantly higher SBS than that of the other groups (P = 0.001). With regard to the failure mode, groups I (65%) and II (75%) presented adhesive failures, while group III showed 50% adhesive failure. Cohesive failure did not occur. Conclusion: The application of the two-step self-etch bonding agent (Adper SE Plus) beneath the resin pit-and-fissure sealant placement resulted in a significantly higher bond strength for the Er:YAG laser-irradiated enamel. PMID:24926208

  19. Effect of silorane-based adhesive system on bond strength between composite and dentin substrate

    PubMed Central

    Pereira, Jefferson Ricardo; Júnior, Lindomar Corrêa; de Souza Almeida, Mauro; do Valle, Accácio Lins; Honório, Heitor Marques; Vidotti, Hugo Alberto; De Souza, Grace Mendonca

    2015-01-01

    Context: The complexities of the oral environment, the dentin substrate, and the different bond and composite resin systems represent a challenge to the maintenance of reasonable bond between the composite resin and the tooth structure. Aims: To evaluate the effect of the adhesive system on bond strength between silorane-based composite resin and dentin. Materials and Methods: Fourteen human molars extracted were selected and vertically cut into 3 dentin fragments, randomly divided among the experimental groups and restored with Z250 and P90 composite resin using different adhesive protocols (Adper Single Bond 2, Silorano primer, Adper SE Plus, and Scotchbond Multiuse). Two composite resin cylinders were built up on each dentin surface (n = 10) and subjected to a micro-shear bond strength test. Statistical Analysis Used: Kruskal–Wallis one-way analysis of variance and Tukey test (P = 0.05). Results: According to the results, Kruskal–Wallis test evidenced at least one statistical significant difference (P = 0.001). The Tukey test showed statistically significant differences among the group (P < 0.05). Group PSM8 (P90 + SM) showed statically significant higher results when compared with groups PSP4 (P90 + SP), PSB2 (P90 + SB), and ZSE5 (Z250 + SE). Conclusion: The results evidenced that the monomer of the adhesive system has an effect on bond strength between the composite resin and dentin. PMID:26752846

  20. Fatigue strength of a single lap joint SPR-bonded

    NASA Astrophysics Data System (ADS)

    Di Franco, G.; Fratini, L.; Pasta, A.

    2011-05-01

    In the last years, hybrid joints, meaning with this the joints which consist in combining a traditional mechanical joint to a layer of adhesive, are gradually attracting the attention of various sectors of the construction of vehicles and transportation industries, for their better performance compared to just mechanical joints (self-piercing riveting SPR, riveting, and so on) or just to bonded joints. The paper investigates the fatigue behavior of a single lap joint self-piercing riveted (SPR) and bonded throughout fatigue tests. The considered geometric configuration allowed the use of two rivets placed longitudinally; an epoxy resin was used as adhesive. In the first part of the work static characterization of the joints was carried out through tensile tests. Then fatigue tests were made with the application of different levels of load. The fatigue curves were also obtained at the varying the distance between the two rivets in order to better assess the joint strength for a given length of overlap.

  1. Towards force spectroscopy of single tip-link bonds

    NASA Astrophysics Data System (ADS)

    Koussa, Mounir A.; Sotomayor, Marcos; Wong, Wesley P.; Corey, David P.

    2015-12-01

    Inner-ear mechanotransduction relies on tip links, fine protein filaments made of cadherin-23 and protocadherin-15 that convey tension to mechanosensitive channels at the tips of hair-cell stereocilia. The tip-link cadherins are thought to form a heterotetrameric complex, with two cadherin-23 molecules forming the upper part of the filament and two protocadherin-15 molecules forming the lower end. The interaction between cadherin-23 and protocadherin-15 is mediated by their N-terminal tips. Missense mutations that modify the interaction interface impair binding and lead to deafness. Molecular dynamics simulations predict that the tip-link bond is mechanically strong enough to withstand forces in hair cells, but its experimentally determined strength is unknown. We have developed molecular tools to facilitate single-molecule force spectroscopy on the tip link bond. Self-assembling DNA nanoswitches are functionalized with the interacting tips of cadherin-23 and protocadherin-15 using the enzyme sortase under conditions that preserve protein function. These tip link nanoswitches are designed to provide a signature force-extension profile. This molecular signature should allow us to identify single-molecule rupture events in pulling experiments.

  2. BOND STRENGTH AND MORPHOLOGY OF ENAMEL USING SELF-ETCHING ADHESIVE SYSTEMS WITH DIFFERENT ACIDITIES

    PubMed Central

    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

  3. Fatigue strength of a single lap joint SPR-bonded

    SciTech Connect

    Di Franco, G.; Fratini, L.; Pasta, A.

    2011-05-04

    In the last years, hybrid joints, meaning with this the joints which consist in combining a traditional mechanical joint to a layer of adhesive, are gradually attracting the attention of various sectors of the construction of vehicles and transportation industries, for their better performance compared to just mechanical joints (self-piercing riveting SPR, riveting, and so on) or just to bonded joints.The paper investigates the fatigue behavior of a single lap joint self-piercing riveted (SPR) and bonded throughout fatigue tests. The considered geometric configuration allowed the use of two rivets placed longitudinally; an epoxy resin was used as adhesive. In the first part of the work static characterization of the joints was carried out through tensile tests. Then fatigue tests were made with the application of different levels of load. The fatigue curves were also obtained at the varying the distance between the two rivets in order to better assess the joint strength for a given length of overlap.

  4. Effects of etching and adhesive applications on the bond strength between composite resin and glass-ionomer cements

    PubMed Central

    PAMIR, Tijen; ŞEN, Bilge Hakan; EVCIN, Özgür

    2012-01-01

    Objective This study determined the effects of various surface treatment modalities on the bond strength of composite resins to glass-ionomer cements. Material and Methods Conventional (KetacTM Molar Quick ApplicapTM) or resin-modified (PhotacTM Fil Quick AplicapTM) glass-ionomer cements were prepared. Two-step etch-rinse & bond adhesive (AdperTM Single Bond 2) or single-step self-etching adhesive (AdperTM PromptTM L-PopTM) was applied to the set cements. In the etch-rinse & bond group, the sample surfaces were pre-treated as follows: (1) no etching, (2) 15 s of etching with 35% phosphoric acid, (3) 30 s of etching, and (4) 60 s of etching. Following the placement of the composite resin (FiltekTM Z250), the bond strength was measured in a universal testing machine and the data obtained were analyzed with the two-way analysis of variance (ANOVA) followed by the Tukey's HSD post hoc analysis (p=0.05). Then, the fractured surfaces were examined by scanning electron microscopy. Results The bond strength of the composite resin to the conventional glass-ionomer cement was significantly lower than that to the resin-modified glass-ionomer cement (p<0.001). No significant differences were determined between the self-etching and etch-rinse & bond adhesives at any etching time (p>0.05). However, a greater bond strength was obtained with 30 s of phosphoric acid application. Conclusions The resin-modified glass-ionomer cement improved the bond strength of the composite resin to the glass-ionomer cement. Both etch-rinse & bond and self-etching adhesives may be used effectively in the lamination of glass-ionomer cements. However, an etching time of at least 30 s appears to be optimal. PMID:23329245

  5. Nonlinear Analysis of Bonded Composite Single-LAP Joints

    NASA Technical Reports Server (NTRS)

    Oterkus, E.; Barut, A.; Madenci, E.; Smeltzer, S. S.; Ambur, D. R.

    2004-01-01

    This study presents a semi-analytical solution method to analyze the geometrically nonlinear response of bonded composite single-lap joints with tapered adherend edges under uniaxial tension. The solution method provides the transverse shear and normal stresses in the adhesive and in-plane stress resultants and bending moments in the adherends. The method utilizes the principle of virtual work in conjunction with von Karman s nonlinear plate theory to model the adherends and the shear lag model to represent the kinematics of the thin adhesive layer between the adherends. Furthermore, the method accounts for the bilinear elastic material behavior of the adhesive while maintaining a linear stress-strain relationship in the adherends. In order to account for the stiffness changes due to thickness variation of the adherends along the tapered edges, their in-plane and bending stiffness matrices are varied as a function of thickness along the tapered region. The combination of these complexities results in a system of nonlinear governing equilibrium equations. This approach represents a computationally efficient alternative to finite element method. Comparisons are made with corresponding results obtained from finite-element analysis. The results confirm the validity of the solution method. The numerical results present the effects of taper angle, adherend overlap length, and the bilinear adhesive material on the stress fields in the adherends, as well as the adhesive, of a single-lap joint

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

    PubMed Central

    Sharafeddin, Farahnaz; Moradian, Marzie; Motamedi, Mehran

    2016-01-01

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

  7. ON THE DURABILITY OF RESIN-DENTIN BONDS: IDENTIFYING THE WEAKEST LINKS

    PubMed Central

    Zhang, Zihou; Beitzel, Dylan; Mutluay, Mustafa; Tay, Franklin R.; Pashley, David H.; Arola, Dwayne

    2015-01-01

    Fatigue of resin-dentin adhesive bonds is critical to the longevity of resin composite restorations. Objectives The objectives were to characterize the fatigue and fatigue crack growth resistance of resin-dentin bonds achieved using two different commercial adhesives and to identify apparent “weak-links”. Methods Bonded interface specimens were prepared using Adper Single Bond Plus (SB) or Adper Scotchbond Multi-Purpose (SBMP) adhesives and 3M Z100 resin composite according to the manufacturers instructions. The stress-life fatigue behavior was evaluated using the twin bonded interface approach and the fatigue crack growth resistance was examined using bonded interface Compact Tension (CT) specimens. Fatigue properties of the interfaces were compared to those of the resin-adhesive, resin composite and coronal dentin. Results The fatigue strength of the SBMP interface was significantly greater than that achieved by SB (p≤0.01). Both bonded interfaces exhibited significantly lower fatigue strength than that of the Z100 and dentin. Regarding the fatigue crack growth resistance, the stress intensity threshold (ΔKth) of the SB interface was significantly greater (p≤0.01) than that of the SBMP, whereas the ΔKth of the interfaces was more than twice that of the parent adhesives. Significance Collagen fibril reinforcement of the resin adhesive is essential to the fatigue crack growth resistance of resin-dentin bonds. Resin tags that are not well hybridized into the surrounding intertubular dentin and/or poor collagen integrity are detrimental to the bonded interface durability. PMID:26169318

  8. Regional bond strengths to root canal dentin of fiber posts luted with three cementation systems.

    PubMed

    Gomes, Giovana Mongruel; Gomes, Osnara Maria Mongruel; Reis, Alessandra; Gomes, João Carlos; Loguercio, Alessandro Dourado; Calixto, Abraham Lincoln

    2011-01-01

    This study evaluated the influence of the cementation system on the regional push-out bond strength and failure pattern of fiber posts to radicular dentin. The roots of 48 extracted human incisors were prepared and divided into 3 groups (n = 16), according to the cementation system: AdperScotchbond Multi-Purpose + resin cement RelyX ARC (SBMP+ARC); Adper SingleBond 2 + RelyX ARC (SB+ARC) and; RelyX U100 self-adhesive resin cement (U100). The posts were cemented as per manufacturer's instructions for each cementation system. After 1 week, the roots were sectioned transversely into 6 discs. Two discs were obtained from the cervical, middle and apical thirds and the push-out test was carried out. The failure pattern was examined on all debonded specimens. The data were analyzed by two-way repeated measures ANOVA and Tukey's test. When U100 was used, no statistically significant difference (p>0.05) was observed among the different root regions. Statistically higher push-out bond strength values were detected in the cervical third for SBMP+ARC and SB+ARC (p<0.05). The U100 showed significantly more mixed failures than SBMP+ARC in the apical third (p<0.05). In conclusion, the self-adhesive cement RelyX U100 was the only cement not sensitive to the root canal region.

  9. Failure strength prediction for adhesively bonded single lap joints

    NASA Astrophysics Data System (ADS)

    Rahman, Niat Mahmud

    For adhesively bonded joint, failure strength depends on many factors such as material properties (both adhesive and adherend), specimen geometries, test environments, surface preparation procedures, etc. Failure occurs inside constitutive materials or along joint interfaces. Based on location, adhesively bonded failure mode can be classified as adhesive failure mode, cohesive failure mode and adherend failure mode. Failure mode directly affects the failure strength of joint. For last eight decades, researchers have developed analytical, empirical or semi-empirical methods capable of predicting failure strength for adhesively bonded joints generating either cohesive failure or adherend failure. Applicability of most of the methods is limited to particular cases. In this research, different failure modes for single lap joints (SLJs) were generated experimentally using epoxy based paste adhesive. Based on experimental data and analytical study, simplified failure prediction methods were developed for each failure mode. For adhesive failure mode, it is observed that peel stress distributions concur along interface near crack initiation points. All SLJs for this test endured consistent surface treatments. Geometric parameters of the joints were varied to study their effect on failure strength. Peel stress distributions were calculated using finite analysis (FEA). Based on peel stress distribution near crack initiation point, a failure model is proposed. Numerous analytical, empirical and semi-empirical models are available for predicting failure strengths of SLJs generating cohesive failures. However, most of the methods in the literature failed to capture failure behavior of SLJs having thickness of adhesive layer as variable. Cohesive failure mode was generated experimentally using aluminum as adherend and epoxy adhesive considering thickness of adhesive layers as variable within SLJs. Comparative study was performed among various methods. It was observed that

  10. Effect of thermal aging on the tensile bond strength at reduced areas of seven current adhesives.

    PubMed

    Baracco, Bruno; Fuentes, M Victoria; Garrido, Miguel A; González-López, Santiago; Ceballos, Laura

    2013-07-01

    The purpose of this study was to determine the micro-tensile bond strength (MTBS) to dentin of seven adhesive systems (total and self-etch adhesives) after 24 h and 5,000 thermocycles. Dentin surfaces of human third molars were exposed and bonded with two total-etch adhesives (Adper Scotchbond 1 XT and XP Bond), two two-step self-etch adhesives (Adper Scotchbond SE and Filtek Silorane Adhesive System) and three one-step self-etch adhesives (G-Bond, Xeno V and Bond Force). All adhesive systems were applied following manufacturers' instructions. Composite buildups were constructed and the bonded teeth were then stored in water (24 h, 37 °C) or thermocycled (5,000 cycles) before being sectioned and submitted to MTBS test. Two-way ANOVA and subsequent comparison tests were applied at α = 0.05. Characteristic de-bonded specimens were analyzed using scanning electron microscopy (SEM). After 24 h water storage, MTBS values were highest with XP Bond, Adper Scotchbond 1 XT, Filtek Silorane Adhesive System and Adper Scotchbond SE and lowest with the one-step self-etch adhesives Bond Force, Xeno V and G-Bond. After thermocycling, MTBS values were highest with XP Bond, followed by Filtek Silorane Adhesive System, Adper Scotchbond SE and Adper Scotchbond 1 XT and lowest with the one-step self-etch adhesives Bond Force, Xeno V and G-Bond. Thermal aging induced a significant decrease in MTBS values with all adhesives tested. The resistance of resin-dentin bonds to thermal-aging degradation was material dependent. One-step self-etch adhesives obtained the lowest MTBS results after both aging treatments, and their adhesive capacity was significantly reduced after thermocycling.

  11. Guest exchange through single crystal-single crystal transformations in a flexible hydrogen-bonded framework.

    PubMed

    Xiao, Wenchang; Hu, Chunhua; Ward, Michael D

    2014-10-08

    A molecular framework based on guanidinium cations and 1,2,4,5-tetra(4-sulfonatophenyl)benzene (TSPB), an aromatic tetrasulfonate with nominal 2-fold and mirror symmetry, exhibits three crystallographically unique one-dimensional channels as a consequence of molecular symmetry and complementary hydrogen bonding between the guanidinium (G) ions and the sulfonate (S) groups of TSPB. Unlike previous GS frameworks, this new topology is sufficiently flexible to permit reversible release and adsorption of guest molecules in large single crystals through a cyclic shrinkage and expansion of the channels with retention of single crystallinity, as verified by single crystal X-ray diffraction. Moreover, the G4TSPB framework permits guest exchange between various guest molecules through SCSCTs as well as exchange discrimination based on the size and character of the three different channels. The exchange of guest molecules during single crystal-single crystal transformations (SCSCT), a rare occurrence for hydrogen-bonded frameworks, is rather fast, with diffusivities of approximately 10(-6) cm(2) s(-1). Rapid diffusion in the two channels having cross sections sufficient to accommodate two guest molecules can be explained by two-way or ring diffusion, most likely vacancy assisted. Surprisingly, rapid guest exchange also is observed in a smaller channel having a cross-section that accommodates only one guest molecule, which can only be explained by guest-assisted single-file unidirectional diffusion. Several single crystals of inclusion compounds can be realized only through guest exchange in the intact framework, suggesting an approach to the synthesis of single crystalline inclusion compounds that otherwise cannot be attained through direct crystallization methods.

  12. Hybridization quality and bond strength of adhesive systems according to interaction with dentin

    PubMed Central

    Salvio, Luciana Andrea; Hipólito, Vinicius Di; Martins, Adriano Luis; de Goes, Mario Fernando

    2013-01-01

    Objective: To evaluate the hybridization quality and bond strength of adhesives to dentin. Materials and Methods: Ten human molars were ground to expose the dentin and then sectioned in four tooth-quarters. They were randomly divided into 5 groups according to the adhesive used: Two single-step self-etch adhesives – Adper Prompt (ADP) and Xeno III (XE), two two-step self-etching primer systems – Clearfil SE Bond (SE) and Adhe SE (ADSE), and one one-step etch-and-rinse system – Adper Single Bond (SB). Resin composite (Filtek Z250) crown buildups were made on the bonded surfaces and incrementally light-cured for 20 s. The restored tooth-quarters were stored in water at 37°C for 24 h and then sectioned into beams (0.8 mm2 in cross-section). Maximal microtensile bond strength (μ-TBS) was recorded (0.5 mm/min in crosshead speed). The results were submitted to one-way ANOVA and Tukey's test (α = 0.05). Thirty additional teeth were used to investigate the hybridization quality by SEM using silver methenamine or ammoniacal silver nitrate dyes. Results: SE reached significantly higher μ-TBS (P < 0.05); no significance was found between ADSE and XE (P > 0.05), and between SB and ADP (P > 0.05); ADSE and XE were significantly higher than SB and ADP (P < 0.05). The bonding interface of SB showed the most intense silver uptake. SE and ADSE showed more favorable hybridization quality than that observed for ADP and XE. Conclusions: The bond strength and hybridization quality were affected by the interaction form of the adhesives with dentin. The hybridization quality was essential to improve the immediate μ-TBS to dentin. PMID:24926212

  13. Interaction morphology and bond strength of nanofilled simplified-step adhesives to acid etched dentin

    PubMed Central

    Di Hipólito, Vinicius; Reis, André Figueiredo; Mitra, Sumita B.; de Goes, Mario Fernando

    2012-01-01

    Objective: To evaluate the effect of nanofillers incorporated into adhesives on the microtensile bond strength (μ-TBS) and interfacial micromorphology to dentin. Methods: The occlusal enamel of 5 human molars was removed and each tooth sectioned into four quarters. The exposed dentin was treated with one of the following adhesives: Adper Single Bond (SB-unfilled), OptiBond Solo Plus (OS-barium aluminoborosilicate, 400nm Ø), Prime & Bond NT (NT-colloidal silica, 7–40 nm Ø) and Adper Single Bond 2 (SB2-colloidal silica, 5nm Ø). Cylinders of resin-based composite were constructed on the adhesive layers. After 24-hour storage, the restored tooth-quadrants were sectioned to obtain stick-shaped specimens (0.8 mm2, cross-sectional area) and submitted to μ-TBS at a cross-speed of 0.5 mm/min. Data were analyzed using one-way ANOVA and Tukey’s test (alpha = .05). Twenty-eight additional teeth were used for interfacial micro-morphologic analysis by SEM (16-teeth) and TEM (12-teeth). The dentin surfaces of 32 discs were treated with the adhesives (8 discs for adhesive) and laminated to form disc-pairs using a flowable resin composite for SEM/EDS analysis. For TEM, 90nm-thick nondemineralized unstained sections were processed. Results: SB2 showed significant higher bond strength than SB, OS and NT. The SEM/EDS and TEM analysis revealed nanofillers infiltrated within the interfibrillar spaces of the SB2-hybrid layer. Fillers were concentrated around patent tubular orifices and in the adhesive layer for OS and NT. Conclusion: The presence of nanofillers within the interfibrillar spaces of the SB2-hybrid layer suggests its importance in the improvement of the μ-TBS. PMID:23077413

  14. Effects of Thermal and Mechanical Load Cycling on the Dentin Microtensile Bond Strength of Single Bond-2

    PubMed Central

    Daneshkazemi, Alireza; Davari, Abdolrahim; Akbari, Mohammad Javad; Davoudi, Amin; Badrian, Hamid

    2015-01-01

    Background: Different studies have shown the uncertain effects of thermal cycling (TC) and mechanical load cycling (MC) on the dentin microtensile bond strength (µTBS) of composites. This study designed to investigate the effects of TC and MC on the dentin µTBS of single bond-2. Materials and Methods: Flat dentinal surface was prepared on 48 sound extracted human third molar teeth, and were bonded by single bond-2 adhesive and Z250 resin composite. The teeth were randomly divided into eight equal groups, according to the thermal/mechanical protocol. TC and MC were proceeded at 5-55°C and 90 N with 0.5 Hz. Then restorations were sectioned to shape the hour-glass form and subjected to µTBS testing at a speed of 0.5 mm/min. To evaluate the bonding failure, the specimens were observed under the scanning electron microscope. The results were statistically analyzed with analysis of variance, t-test, Tukey HSD and post-hoc by using SPSS software version 17 at a significant level of 0.05. Results: µTBS of all groups were significantly lower than the control group (P < 0.001). Adhesive failure was predominant in all groups and increased with TC and MC. Conclusions: TC and MC had an adverse effect on µTBS of the tested adhesive resin to dentin. PMID:26464532

  15. The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

    NASA Technical Reports Server (NTRS)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Taylor, Peter R.

    1989-01-01

    The bond dissociation energies (D sub e) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of D sub e with respect to the one particle basis is studied at the single reference modified coupled-pair functional (MCPF) level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration interaction (MRCI) D sub e values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size extensive averaged coupled pair functional (ACPF) method. It was found that the full valence complete active space self consistent field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds. To achieve chemical accuracy (1 kcal/mole) for the D sub e values of the doubly bonded species C2H4 and N2H2 requires one particle basis sets including up through h angular momentum functions (l = 5) and a multireference treatment of electron correlation: still higher levels of calculation are required to achieve chemical accuracy for the triply bonded species C2H2 and N2.

  16. Effect of Bleaching and Thermocycling on Resin-Enamel Bond Strength

    PubMed Central

    Moosavi, Horieh; Mohammadipour, Hamideh Sadat; Ghavamnasiri, Marjaneh; Alizadeh, Sanaz

    2015-01-01

    The aim of this study was to evaluate the effect of bleaching and thermocycling on microshear bond strength of bonded resin composites to enamel. Enamel slices were prepared from ninety-six intact human premolars and resin composite cylinders were bonded by using Adper Single Bond 2 + Filtek Z350 or Filtek silorane adhesive and resin composite. Each essential group was randomly subdivided to two subgroups: control and bleaching. In bleaching group, 35% hydrogen peroxide was applied on samples. Thermocycling procedure was conducted between 5°C and 55°C, for 3.000 cycles on the half of each subgroup specimen. Then microshear bond strength was tested. Methacrylate-based resin composite had higher bond strength than silorane-based one. The meyhacrylate-based group without bleaching along with thermocycling showed the most bond strength, while bleaching with 35% carbamide peroxide on silorane-based group without thermocycling showed the least microshear bond strength. Bleaching caused a significant degradation on shear bond strength of silorane-based resin composites that bonded using self-etch adhesive resin systems. PMID:26839550

  17. Single and multiple bonds in (strept)avidin-biotin interactions.

    PubMed

    Teulon, Jean-Marie; Delcuze, Yannick; Odorico, Michael; Chen, Shu-wen W; Parot, Pierre; Pellequer, Jean-Luc

    2011-01-01

    Thanks to Dynamic Force Spectroscopy (DFS) and developments of massive data analysis tools, such as YieldFinder, Atomic Force Microscopy (AFM) becomes a powerful method for analyzing long lifetime ligand-receptor interactions. We have chosen the well-known system, (strept)avidin-biotin complex, as an experimental model due to the lack of consensus on interpretations of the rupture force spectrum (Walton et al., 2008). We present new measurements of force-displacement curves for the (strept)avidin-biotin complex. These data were analyzed using the YieldFinder software based on the Bell-Evans formalism. In addition, the Williams model was adopted to interpret the bonding state of the system. Our results indicate the presence of at least two energy barriers in two loading rate regimes. Combining with structural analysis, the energy barriers can be interpreted in a novel physico-chemical context as one inner barrier for H-bond ruptures ( <1 Å), and one outer barrier for escaping from the binding pocket which is blocked by the side chain of a symmetry-related Trp120 in the streptavidin tetramer. In each loading rate regime, the presence of multiple parallel bonds was implied by the Williams model. Interestingly, we found that in literature different terms created for addressing the apparent discrepancies in the results of avidin-biotin interactions can be reconciled by taking into account multiple parallel bonds.

  18. Potential of Metal-Catalyzed C-C Single Bond Cleavage for Organic Synthesis.

    PubMed

    Murakami, Masahiro; Ishida, Naoki

    2016-10-11

    Conventional organic synthesis has been mainly based upon the reactivities of π-bonds and polar σ-bonds. Carbon-carbon single bonds are nonpolar and generally far less reactive. Although they remain intact under most reaction conditions, it is possible to activate and cleave them if suitable organometallic compounds or metal catalysts are applied. Such C-C single bond cleavage reactions are attracting increasing attention in the context of synthetic chemistry because they provide a unique and more straightforward route from readily available substances to targets, while requiring significantly fewer steps. The present Perspective aims to exemplify the potential of metal-catalyzed C-C single bond cleavage for organic synthesis.

  19. Method of bonding single crystal quartz by field-assisted bonding

    DOEpatents

    Curlee, Richard M.; Tuthill, Clinton D.; Watkins, Randall D.

    1991-01-01

    The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals.

  20. Method of bonding single crystal quartz by field-assisted bonding

    DOEpatents

    Curlee, R.M.; Tuthill, C.D.; Watkins, R.D.

    1991-04-23

    The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals. 2 figures.

  1. Effect of Self-etching Adhesives on the Bond Strength of Glass-Ionomer Cements

    PubMed Central

    Jaberi Ansari, Zahra; Panahandeh, Narges; Tabatabaei Shafiei, Zahra Sadat; Akbarzadeh Baghban, Alireza

    2014-01-01

    Objective: Statement of Problem: Adequate bond strength between glass ionomer cements and composite resin is necessary for the success of the sandwich technique. Purpose of Study: This study assessed the micro-shear bond strength of composite resin to glass-ionomer cements (GIC) using self-etch adhesives with different pH values. Materials and Methods: One hundred specimens (6×4×2 mm) were made using Fuji II and Fuji II LC GICs and treated with different adhesives as follows: Group 1:Fuji II+ Adper Prompt L-Pop, Group-2: Fuji II+SE bond, Group-3: Fuji II + AdheSE, Group-4:Fuji II+ Protect bond, Group-5: Fuji II + Single bond, Group-6:Fuji II LC+ Adper Prompt LPop, Group-7: Fuji II LC+SE bond, Group-8:Fuji II LC+ AdheSE, Group-9: Fuji II LC+ Protect bond, and Group-10: Fuji II LC+ Single bond. Each group consisted of 10 specimens. A cylinder of Z100 composite resin was placed on each sample and light cured. After 24 hours of water storage (37°C), the specimens were subjected to micro-shear bond strength tests (0.5 mm/min). Data were analyzed using two-way ANOVA and Tukey’s test. Results: The mean micro-shear bond strength of groups 1–10 was 11.66±1.79, 16.50±1.85, 18.47±1.77, 13.95±1.77, 15.27±1.49, 15.14±0.90, 20.03±1.19, 17.48±3.00, 16.24±1.98 and 16.03±1.49 MPa, respectively. There were significant differences between groups 1 and 7 (P<0.05). No significant difference was observed between other groups (P>0.05). Fuji II LC showed higher bond strength than Fuji II (P<0.05). Conclusion: Type of self-etch adhesive had no significant effect on micro-shear bond strength of glass-ionomer to composite resin. Resin modified glass ionomer cement (RMGIC) exhibited higher bond strength than the conventional GIC. PMID:25628698

  2. Evaluation of the Shear Bond Strength of Composite Resin to Wet and Dry Enamel Using Dentin Bonding Agents Containing Various Solvents

    PubMed Central

    Ramarao, Sathyanarayanan; John, Bindu Meera; Rajesh, Praveen; Swatha, S

    2017-01-01

    Introduction Bonding of composite resin to dentin mandates a wet substrate whereas, enamel should be dry. This may not be easily achievable in intracoronal preparations where enamel and dentin are closely placed to each other. Therefore, Dentin Bonding Agents (DBA) are recommended for enamel and dentinal bonding, where enamel is also left moist. A research question was raised if the “enamel-only” preparations will also benefit from wet enamel bonding and contemporary DBA. Aim The aim of this study was to compare the shear bond strengths of composite resin, bonded to dry and wet enamel using fifth generation DBA (etch and rinse system) containing various solvents such as ethanol/water, acetone and ethanol. Materials and Methods The crowns of 120 maxillary premolars were split into buccal and lingual halves. They were randomly allocated into four groups of DBA: Group 1-water/ethanol based, Group 2-acetone based, Group 3-ethanol based, Group 4-universal bonding agent (control group). The buccal halves and lingual halves were bonded using the wet bonding and dry bonding technique respectively. After application of the DBAs and composite resin build up, shear bond strength testing was done. Results Group 1 (ethanol/water based ESPE 3M, Adper Single Bond) showed highest bond strength of (23.15 MPa) in dry enamel. Group 2 (acetone based Denstply, Prime and Bond NT, showed equal bond strength in wet and dry enamel condition (18.87 MPa and 18.02 MPa respectively). Conclusion Dry enamel bonding and ethanol/water based etch and rinse DBA can be recommended for “enamel-only” tooth preparations. PMID:28274042

  3. Effect of ethanol-wet bonding with hydrophobic adhesive on caries-affected dentine.

    PubMed

    Huang, Xueqing; Li, Li; Huang, Cui; Du, Xijin

    2011-08-01

    Frequently encountered in clinical practice, caries-affected dentine (CAD) is the most challenging bonding substrate. This study evaluated the effect of ethanol-wet bonding with hydrophobic adhesive to sound dentine and to CAD. In the control groups, prepared sound dentine and CAD were bonded with Adper Single Bond 2 using a traditional water-wet bonding technique. In the experimental groups, the specimens were treated as follows: Group 1, rinsed with stepwise ethanol dehydration; Group 2, immersion in 100% ethanol, three times, for 20 s each time; and Group 3, immersion in 100% ethanol for 20 s. Microtensile bond strength (μTBS) testing was used to evaluate the effects of the different protocols on bonding. The microhardness of debonded dentine surfaces was measured to ensure the presence of CAD. Interfacial nanoleakage was evaluated by field-emission scanning electron microscopy. Treatment significantly improved the μTBS in CAD in Groups 1 and 2, but had no effect on Group 3. Conversely, treatment significantly reduced the μTBS in sound dentine in Groups 2 and 3, but had no effect in Group 1. The presence of nanoleakage varied with the ethanol-wet protocol used. In conclusion, ethanol-wet bonding can potentially improve bond efficacy to CAD when an appropriate protocol is used.

  4. Mechanism for Si–Si Bond Rupture in Single Molecule Junctions

    SciTech Connect

    Li, Haixing; Kim, Nathaniel T.; Su, Timothy A.; Steigerwald, Michael L.; Nuckolls, Colin; Darancet, Pierre; Leighton, James L.; Venkataraman, Latha

    2016-12-14

    The stability of chemical bonds can be studied experimentally by rupturing single molecule junctions under applied voltage. Here, we compare voltage-induced bond rupture in two Si–Si backbones: one has no alternate conductive pathway whereas the other contains an additional naphthyl pathway in parallel to the Si–Si bond. We show that in contrast to the first system, the second can conduct through the naphthyl group when the Si–Si bond is ruptured using an applied voltage. We investigate this voltage induced Si–Si bond rupture by ab initio density functional theory calculations and molecular dynamics simulations that ultimately demonstrate that the excitation of molecular vibrational modes by tunneling electrons leads to homolytic Si–Si bond rupture.

  5. Correlation among electronegativity, cation polarizability, optical basicity and single bond strength of simple oxides

    SciTech Connect

    Dimitrov, Vesselin; Komatsu, Takayuki

    2012-12-15

    A suitable relationship between free-cation polarizability and electronegativity of elements in different valence states and with the most common coordination numbers has been searched on the basis of the similarity in physical nature of both quantities. In general, the cation polarizability increases with decreasing element electronegativity. A systematic periodic change in the polarizability against the electronegativity has been observed in the isoelectronic series. It has been found that generally the optical basicity increases and the single bond strength of simple oxides decreases with decreasing the electronegativity. The observed trends have been discussed on the basis of electron donation ability of the oxide ions and type of chemical bonding in simple oxides. - Graphical abstract: This figure shows the single bond strength of simple oxides as a function of element electronegativity. A remarkable correlation exists between these independently obtained quantities. High values of electronegativity correspond to high values of single bond strength and vice versa. It is obvious that the observed trend in this figure is closely related to the type of chemical bonding in corresponding oxide. Highlights: Black-Right-Pointing-Pointer A suitable relationship between free-cation polarizability and electronegativity of elements was searched. Black-Right-Pointing-Pointer The cation polarizability increases with decreasing element electronegativity. Black-Right-Pointing-Pointer The single bond strength of simple oxides decreases with decreasing the electronegativity. Black-Right-Pointing-Pointer The observed trends were discussed on the basis of type of chemical bonding in simple oxides.

  6. Effect of collagen removal on shear bond strength of two single-bottle adhesive systems.

    PubMed

    Saboia, V P; Rodrigues, A L; Pimenta, L A

    2000-01-01

    This study evaluated the effect of collagen removal on the shear bond strength for two single-bottle adhesive systems. The ultrastructure of the dentin after treatments and the dentin-resin interface were examined under SEM. The buccal and lingual surfaces of 80 extracted human third molars were ground to expose dentin. Teeth were randomly assigned to four groups and received the following treatments: Group 1(P&B 2.1), Prime & Bond 2.1 adhesive was applied according to the manufacturer's directions and Restorative Z100 composite resin was bonded to the dentin surface; Group 2 (P&B 2.1/NaOCl), the same procedures were followed as for Group 1 except that the surfaces were treated with 10% sodium hypochlorite (NaOCl) for one minute after acid conditioning; Group 3 (SB), Single Bond (3M) was applied according to the manufacturer's recommendations; Group 4 (SB/NaOCl), the same procedure was followed for Group 2, using Single Bond. The specimens were stored in humidity at 37 degrees C for 24 hours and tested in a shear mode at a crosshead speed of 0.5 mm/minute. The Kruskal-Wallis test and Multiple Comparisons were used for statistical analysis of the data. A one-minute exposure of dentin to 10% NaOCl following acid conditioning resulted in a significant increase of the dentin shear bond strength for Prime & Bond 2.1. The same treatment for Single Bond resulted in a significant reduction in bond strength. Groups 1 and 3 were not statistically different from each other. The presence of a collagen layer resulted in the formation of a hybrid layer and similar values of adhesion for both adhesive systems. The results may suggest that collagen removal improves the bond strength for this acetone-based adhesive system but several such systems would need to be investigated.

  7. Adhesive bond strengths to enamel and dentin using recommended and extended treatment times.

    PubMed

    Kimmes, Nicole S; Barkmeier, Wayne W; Erickson, Robert L; Latta, Mark A

    2010-01-01

    This study examined the effect of different enamel and dentin conditioning times on the shear bond strength of a resin composite using etch-and-rinse and self-etch adhesive systems. Shear bond strengths were determined following treatment of flat ground human enamel and dentin surfaces (4000 grit) with 11 adhesive systems: 1) AdheSE One Viva Pen-(ASE), 2) Adper Prompt L-Pop-(PLP), 3) Adper Single Bond Plus-(SBP), 4) Clearfil SE Bond-(CSE), 5) Clearfil S3 Bond-(CS3), 6) OptiBond All-In-One-(OBA), 7) OptiBond Solo Plus-(OBS), 8) Peak SE-(PSE), 9) Xeno IV-(X4), 10) Xeno V-(X5) and 11) XP Bond-(XPB) using recommended treatment times and an extended treatment time of 60 seconds (n = 10/group). Composite (Z100) to enamel and dentin bond strengths (24 hours) were determined using Ultradent fixtures and debonded with a crosshead speed of 1 mm/minute. The data were analyzed with a three-way Analysis of Variance (ANOVA) and Fisher's LSD post hoc test. The highest shear bond strengths (MPa) to enamel were achieved by the three etch-and-rinse systems at both the recommended treatment time (SBP-40.5 +/- 6.1; XPB-38.7 +/- 3.7; OBS- 35.2 +/- 6.2) and the extended treatment time (SBP-44.5 +/- 8.1; XPB-40.9 +/- 5.7; OBS-35.0 +/- 4.5). Extending the enamel treatment time did not produce a significant change (p > 0.05) in bond strength for the 11 adhesive systems tested. OBS generated the highest (46.2 +/- 7.9) bond strengths to dentin at the recommended treatment time. At the extended treatment time X4 (42.2 +/- 11.7), PSE (42.1 +/- 9.7) and OBS (41.4 +/- 8.0) produced the highest bond strengths to dentin. The bond strength change between recommend and extended treatment times was significant (p < 0.05) for PSE, but the other 10 systems did not exhibit any significant change.

  8. Interactions Between Oxygen and Nitrogen: O[Single Bond]N, O[Single Bond]N (sub 2), and O (sub 2)[Single Bond]N (sub 2)

    NASA Technical Reports Server (NTRS)

    Vanderslice, Joseph T.; Mason, Edward A.; Maisch, William G.

    1959-01-01

    Potential energy curves for 0-N interactions corresponding to the X (sup 2) II (sub t/2), X (sup 2) II (sub 3/2), A (sup 2) Eta (sup plus), B (sup 2) II, C (sup 2) II, D (sup 2) Eta (sup plus), E (sup 2) Eta (sup plus), and B prime (sup 2 delta) states of nitric oxide have been calculated from spectroscopic data by the Rydberg- Klein-Rees method. Curves for the (sup 4) II, (sup 2) Eta, (sup 4) Eta, (sup 6) Eta, and (sup 6) II states have been obtained from limited spectroscopic results and from relations derived from approximate quantum-mechanical calculations. Two semi-independent calculations have been made, and are in good agreement with each other. The quantum-mechanical relations also lead to approximate curves for the O[Single Bond]N, and O[Single Bond]N (sub 2) interactions over a limited range. The O (sub 2)[Single Bond]N (sub 2) interaction is consistent with one valid at larger separation distances which has been derived from high-temperature gas viscosity data.

  9. The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

    NASA Technical Reports Server (NTRS)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Taylor, Peter R.

    1991-01-01

    The bond dissociation energies (De) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of De with respect to the one-particle basis is studied at the single-reference modified coupled-pair-functional (MCPF)level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration-interaction (MRCI) De values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size-extensive averaged-coupled-pair-functional (ACPF) method. The full-valence complete-active-space self-consistent-field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds.

  10. 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

  11. Modeling single molecule junction mechanics as a probe of interface bonding

    DOE PAGES

    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

  12. High-resolution imaging and spectroscopy of interfacial water at single bond limit

    NASA Astrophysics Data System (ADS)

    Jiang, Ying

    Hydrogen bond is one of the most important weak interactions in nature and plays an essential role in a broad spectrum of physics, chemistry, biology, energy and material sciences. The conventional methods for studying hydrogen-bonding interaction are all based on spectroscopic or diffraction techniques. However, those techniques have poor spatial resolution and only measure the average properties of many hydrogen bonds, which are susceptible to the structural inhomogeneity and local environments, especially when interfacial systems are concerned. The spatial variation and inter-bond coupling of the hydrogen bonds leads to significant spectral broadening, which prohibits the accurate understanding of the experimental data. In this talk, I will present our recent progress on the development of new-generation scanning probe microscopy/spectroscopy (SPM/S) with unprecedentedly high sensitivity and resolution, for addressing weak inter- and intra-molecular interactions, such as hydrogen bonds and van der Waals force. Based on a qPlus sensor, we have succeeded to push the real-space study of a prototypical hydrogen-bonded system, i.e. water, down to single bond limit. Combined with state-of-the-arts quantum simulations, we have discovered exotic nuclear quantum effects (NQEs) in interfacial water and revealed the quantum nature of the hydrogen bond from a completely new perspective

  13. Eroded dentin does not jeopardize the bond strength of adhesive restorative materials.

    PubMed

    Cruz, Janaina Barros; Lenzi, Tathiane Larissa; Tedesco, Tamara Kerber; Guglielmi, Camila de Almeida Brandão; Raggio, Daniela Prócida

    2012-01-01

    This in vitro study evaluated the bond strength of adhesive restorative materials to sound and eroded dentin. Thirty-six bovine incisors were embedded in acrylic resin and ground to obtain flat buccal dentin surfaces. Specimens were randomly allocated in 2 groups: sound dentin (immersion in artificial saliva) and eroded dentin (pH cycling model - 3× / cola drink for 7 days). Specimens were then reassigned according to restorative material: glass ionomer cement (KetacTM Molar Easy Mix), resin-modified glass ionomer cement (VitremerTM) or adhesive system with resin composite (Adper Single Bond 2 + Filtek Z250). Polyethylene tubes with an internal diameter of 0.76 mm were placed over the dentin and filled with the material. The microshear bond test was performed after 24 h of water storage at 37ºC. The failure mode was evaluated using a stereomicroscope (400×). Bond strength data were analyzed with two-way ANOVA and Tukey's post hoc tests (α = 0.05). Eroded dentin showed bond strength values similar to those for sound dentin for all materials. The adhesive system showed the highest bond strength values, regardless of the substrate (p < 0.0001). For all groups, the adhesive/mixed failure prevailed. In conclusion, adhesive materials may be used in eroded dentin without jeopardizing the bonding quality. It is preferable to use an etch-and-rinse adhesive system because it shows the highest bond strength values compared with the glass ionomer cements tested.

  14. Nanomechanical properties of biochemically modified dentin bonded interfaces

    PubMed Central

    dos Santos, Paulo H; Karol, Sachin; Bedran-Russo, Ana Karina B

    2014-01-01

    Summary The effect of biomodification of dentin matrices using collagen cross-linkers, glutaraldehyde (GD) and grape seed extract (GSE), on the reduced modulus of elasticity (Er) and nanohardness (H) of the hybrid layer and underlying dentin was investigated at the dentin-resin bonded interface. The coronal dentin of nine molars were exposed and divided into groups: 5% GD, 6.5% GSE and control. Control samples were etched, bonded with Adper Single Bond Plus and Premise composite. GD and GSE were applied for 1 hour prior to bonding procedures. After 24 hours, samples were sectioned, and resin-dentin beams were either kept in distilled water or exposed to collagenase treatment for 24 hours. Nano-indentations were performed at the hybrid layer and underlying dentin. GD and GSE treatment increased the Er and H of resin-dentin interface structures when compared to the control group (p < 0.05), particularly the hybrid layer, and may be a promising novel approach to strengthen the dentin-resin bonded interface structures when using these adhesive system and resin-based composite. PMID:21058972

  15. A revised set of values of single-bond radii derived from the observed interatomic distances in metals by correction for bond number and resonance energy

    PubMed Central

    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

  16. Rigid Single Carbon-Carbon Bond That Does Not Rotate in Water.

    PubMed

    Gadogbe, Manuel; Zhou, Yadong; Zou, Shengli; Zhang, Dongmao

    2016-03-10

    Carbon-carbon bond is one of the most ubiquitous molecular building blocks for natural and man-made materials. Rotational isomerization is fundamentally important for understanding the structure and reactivity of chemical and biological molecules. Reported herein is the first demonstration that a single C-C bond does not rotate in water. The two distal C-S bonds in both 1,2-ethanedithiolate ((-)S-CH2-CH2-S(-), 1,2-EDT(2-)) and 2,3-butanedithiolate (2,3-BuDT(2-)) are exclusively in the trans conformer with reference to their respective center single C-C bond. In contrast, both trans and gauche conformers are observed in neutral 1,2-ethanedithiol (1,2-EDT) and 2, 3-butanedithiol (2,3-BuDT). The insight from this work should be important for understanding the charge effect on the molecular conformation in aqueous solutions.

  17. Effect of 10% Sodium Ascorbate on Shear Bond Strength of Bleached Teeth - An in-vitro Study

    PubMed Central

    Ponnappa, K C; Nitin, Mirdha; Ramesh, Sachhi; Sharanappa, Kambale; Nishant, Ajgaonkar

    2015-01-01

    Background Patient often requires some additional interventions such as replacement of old restorations, laminates and veneers after bleaching, for aesthetic purposes. The residual oxygen inhibits polymerization of resin based materials which results in reduced bond strength of the restorations. Some techniques are available to solve the clinical problems related to the post bleach compromised bond strength. Objectives The purpose of this study is to evaluate, the role of 10% sodium ascorbate on reversing the compromised bond strength and compare enamel shear bond strength of 5th and 6th generation dentine bonding agents on bleached and unbleached teeth. Materials and Methods Eighty freshly extracted human anterior teeth were assigned in to Group A and Group B of 40 teeth each. Samples in both groups were subdivided in to 4 subgroups of 10 teeth each. In Group A composite resins was bonded using 5th generation dentine bonding agent (3M Single Bond) and Group B was bonded using 6th generation (3M ESPE Adper SE Plus). Subgroups were subjected to the procedure as, A1;B1 etching and bonding (control), A2; B2 bleaching, etching and immediate bonding, A3; B3 bleaching,10% ascorbic acid treatment for 10 minutes after that etching and bonding immediately, A4; B4 bleaching, storage in artificial saliva for 4 days and then etching and bonding. Pola office, in office bleach (SDI (082216) was used for bleaching. The specimens were subjected to shear load in a Universal testing machine to evaluate bond strength. Results A decrease in bond strength was seen with 6th generation adhesive system compared to 5th generation bonding system, which is statistically significant, p<0.001. Conclusion Treating the bleached enamel surfaces when treated with 10% sodium ascorbate, which reverses the compromised bond strength and is a good alternative to delayed bonding. PMID:26393201

  18. First structural characterization of a protactinium(V) single oxo bond in aqueous media.

    PubMed

    Le Naour, Claire; Trubert, Didier; Di Giandomenico, Maria V; Fillaux, Clara; Den Auwer, Christophe; Moisy, Philippe; Hennig, Christoph

    2005-12-12

    The present work describes the first structural studies of protactinium(V) in sulfuric and hydrofluoric acid media using X-ray absorption spectroscopy. The results show unambiguously the absence of the trans-dioxo bond that characterizes the other early actinide elements such as U and Np. In concentrated sulfuric acid (13 M), Pa(V) is proved to exhibit a single oxo bond as postulated in the literature for species in more dilute media. In a 0.5 M HF medium, XANES and EXAFS spectra indicate the absence of any oxo bond: Pa(V) exists in the form of a pure fluoro complex.

  19. Influence of Erosive and Abrasive Cycling on Bonding of Different Adhesive Systems to Enamel: An In situ Study.

    PubMed

    Giacomini, Marina Ciccone; Casas-Apayco, Leslie Caroll; Machado, Camila Moreira; Freitas, Maria Cristina Carvalho de Almendra; Atta, Maria Teresa; Wang, Linda

    2016-01-01

    This study evaluated the impact of orange juice on the bond strength (BS) of dentin bonding systems (DBSs) to enamel surface after simulation with an in situ/ ex vivo erosive cycling. One hundred and ninety two bovine enamel fragments (4x4x2mm) were obtained and randomized regarding superficial microhardness and distributed to palatal devices for 8 volunteers, in three phases (one for each DBS), containing 8 blocks, which were, allocated in 4 pairs. Daily, these pairs were subjected extraorally to the following conditions: CONT- neither erosive nor abrasive challenge; ERO- erosive challenge only; ABR- abrasive challenge only and ERO + ABR- with erosive and abrasive challenges. Erosive cycles (immersion in orange juice, 3 times/day/5 min/5 days) or/and abrasive challenges (electric toothbrush, 3 times/day/1 min/5 days) were performed. After these cycles, all specimens were restored with the adhesive systems Adper Scotchbond Multi Purpose (MP), Adper Single Bond 2 (SB) or Clearfil SE Bond (SE), and the composite resin Filtek Z250. After 7 days, sticks (area ≅1 mm2) were obtained and subjected to the microtensile bond strength test (μTBS) at 0.5 mm/min. Data was statistically analyzed by ANOVA and Tukey tests (a=0.05). Failure modes were determined using a digital microscope (40´). DBS was the only statistical significant factor. SE was the unique DBS not affected in any challenge, whereas MP and SB performed according to the scenario. The adhesive and mixed failures were predominant in all groups. Overall performance suggested that BS to enamel after erosive /abrasive challenged by orange juice was not affected and it was material-dependent.

  20. Assessment of the Shear Bond Strength between Nanofilled Composite Bonded to Glass-ionomer Cement Using Self-etch Adhesive with Different pHs and Total-Etch Adhesive

    PubMed Central

    Sharafeddin, Farahnaz; Choobineh, Mohammad Mehdi

    2016-01-01

    Statement of the Problem In the sandwich technique, the undesirable bond between the composite resin and glass-ionomer cement (GIc) is one of the most important factors which lead to the failure of restoration. Total-etch and self-etch adhesives may improve the bond strength based on their pH. Purpose The purpose of this study was to evaluate the shear bond strength between the nanofilled composite resin and GIc using different adhesives. Materials and Method In this experimental study, 40 specimens (6×6mm) in 4 groups (n=10) were prepared in acrylic mold. Each specimen contained conventional GI ChemFil Superior with a height of 3mm, bonded to Z350 composite resin with a height measured 3mm. In order to bond the composite to the GI, the following adhesives were used, respectively: A: mild Clearfil SE Bond self-etch (pH=2), B: intermediate OptiBond self-etch (pH=1.4), C: strong Adper Prompt L-Pop (pH=1), and D: Adper Single Bond 2 total-etch (pH=7.2). The shear bond strength was measured by using universal testing machine with a crosshead speed of 1mm/min. One-way ANOVA and Tukey’s test were used to analyze the data (p< 0.05). Results The shear bond strength in group A was significantly higher than group B (p= 0.002), C (p< 0.001), and D (p< 0.001). Moreover, the shear bond strength of groups A and B (self-etch) was significantly different from group D (total-etch) (p< 0.001); and C (self-etch) with D (p= 0.024). Conclusion The results of this study showed that applying the mild self-etch adhesive between the composite and the GIc results in stronger shear bond strength compared to intermediate and strong self-etch adhesives. Moreover, the self-etch adhesive increased the shear bond strength between composite resin and GIc more significantly than total-etch adhesive. PMID:26966701

  1. “Evaluation of shear bond strength of a composite resin to white mineral trioxide aggregate with three different bonding systems”-An in vitro analysis

    PubMed Central

    Patil, Anand C.

    2016-01-01

    Background Mineral trioxide aggregate (MTA) is a biomaterial that has been investigated for endodontic applications. With the increased use of MTA in pulp capping, pulpotomy, perforation repair, apexification and obturation, the material that would be placed over MTA as a final restoration is an important matter. As composite resins are one of the most widely used final restorative materials, this study was conducted to evaluate the shear bond strength of a composite resin to white mineral trioxide aggregate (WMTA) using three different bonding systems namely the two-step etch and rinse adhesive, the self-etching primer and the All-in-one system. Material and Methods Forty five specimens of white MTA (Angelus) were prepared and randomly divided into three groups of 15 specimens each depending on the bonding systems used respectively. In Group A, a Two-step etch and rinse adhesive or ‘total-etch adhesive’, Adper Single Bond 2 (3M/ESPE) and Filtek Z350 (3M ESPE, St Paul, MN) were placed over WMTA. In group B, a Two-step self-etching primer system, Clearfil SE Bond (Kuraray, Medical Inc) and Filtek Z350 were used. In Group C, an All-in-one system, G Bond (GC corporation, Tokyo, Japan) and Filtek Z350 were used. The shear bond strength was measured for all the specimens. The data obtained was subjected to One way Analysis of Variance (ANOVA) and Scheffe’s post hoc test. Results The results suggested that the Two-step etch and rinse adhesive when used to bond a composite resin to white MTA gave better bond strength values and the All-in-one exhibited the least bond strength values. Conclusions The placement of composite used with a Two-step etch and rinse adhesive over WMTA as a final restoration may be appropriate. Key words:Composite resins, dentin bonding agents, mineral trioxide aggregate, shear bond strength. PMID:27398177

  2. Bonding efficacy of etch-and-rinse adhesives after dentin biomodification using ethanol saturation and collagen cross-linker pretreatment

    PubMed Central

    Sharma, Pallavi; Nagpal, Rajni; Tyagi, Shashi Prabha; Manuja, Naveen

    2015-01-01

    Aim: To evaluate whether the application of two simplified etch-and-rinse adhesives to biomodified dentin using ethanol-wet bonding (EWB) and collagen cross-linker (CCL) pretreatment improves their sealing ability. Materials and Methods: In 176 extracted human molars, the pulp-chambers were deroofed, and teeth were sectioned horizontally. Samples were randomly divided into eight groups according to four bonding techniques using two simplified etch-and-rinse adhesives; Adper Single Bond 2 (ASB) and XP Bond (XPB). The bonding protocols included: (a) Water-wet bonding (WWB); (b) EWB; (c) WWB and CCL application; (d) EWB and CCL application. After composite resin restorations, dye leakage evaluation and scanning electron microscope analysis were done. Leakage scores were statistically analyzed using Kruskal-Wallis and Mann-Whitney U tests at a significance level of P < 0.05. Result: For both ASB and XPB adhesives, least dye leakage was observed in EWB groups (b and d) (P = 0.918 and P = 0.399 respectively) which showed no significant difference, while maximum leakage scores were seen in WWB groups (a and c). Regardless of CCL application and adhesives used, EWB technique depicted (P = 0.003 and P = 0.004) significantly greater sealing ability than WWB. Conclusion: Bonding of ASB and XPB using EWB significantly improved their sealing ability. Biomodification using CCL pretreatment had no significant effect on the sealing ability of adhesives bonded with either WWB or EWB. PMID:26180421

  3. Effects of single bond-ion and single bond-diradical form on the stretching vibration of Cdbnd N bridging bond in 4,4‧-disubstituted benzylidene anilines

    NASA Astrophysics Data System (ADS)

    Cao, Chao-Tun; Bi, Yakun; Cao, Chenzhong

    2016-06-01

    Fifty-seven samples of model compounds, 4,4‧-disubstituted benzylidene anilines, p-X-ArCH = NAr-p-Y were synthesized. Their infrared absorption spectra were recorded, and the stretching vibration frequencies νCdbnd N of the Cdbnd N bridging bond were determined. New stretching vibration mode was proposed by means of the analysis of the factors affecting νCdbnd N, that is there are mainly three modes in the stretching vibration of Cdbnd N bond: (I) polar double bond form Cdbnd N, (II) single bond-ion form C+-N- and (III) single bond-diradical form Crad -Nrad . The contributions of the forms (I) and (II) to the change of νCdbnd N can be quantified by using Hammett substituent constant (including substituent cross-interaction effects between X and Y groups), whereas the contribution of the form (III) can be quantified by employing the excited-state substituent constant. The most contribution of these three forms is the form (III), the next is the form (II), whose contribution difference was discussed with the viewpoint of energy requirements in vibration with the form (III) and form (II).

  4. Intrinsic carrier mobility of a single-layer graphene covalently bonded with single-walled carbon nanotubes

    SciTech Connect

    Li, Dian; Shao, Zhi-Gang; Hao, Qing; Zhao, Hongbo

    2014-06-21

    We report intrinsic carrier mobility calculations of a two-dimensional nanostructure that consists of porous single layer graphene covalently bonded with single-walled carbon nanotubes on both sides. We used first-principles calculation and found that the deformation potential of such system is about 25% of that of graphene, and the carrier mobility is about 5 × 10{sup 4} cm{sup 2} V{sup −1} s{sup −1} for both electrons and holes, about one order of magnitude lower than that of graphene. This nanostructure and its three-dimensional stacking could serve as novel organic electronic materials.

  5. Studying Chemical Reactions, One Bond at a Time, with Single Molecule AFM Techniques

    NASA Astrophysics Data System (ADS)

    Fernandez, Julio M.

    2008-03-01

    The mechanisms by which mechanical forces regulate the kinetics of a chemical reaction are unknown. In my lecture I will demonstrate how we use single molecule force-clamp spectroscopy and protein engineering to study the effect of force on the kinetics of thiol/disulfide exchange. Reduction of disulfide bond via the thiol/disulfide exchange chemical reaction is crucial in regulating protein function and is of common occurrence in mechanically stressed proteins. While reduction is thought to proceed through a substitution nucleophilic bimolecular (SN2) reaction, the role of a mechanical force in modulating this chemical reaction is unknown. We apply a constant stretching force to single engineered disulfide bonds and measure their rate of reduction by dithiothreitol (DTT). We find that while the reduction rate is linearly dependent on the concentration of DTT, it is exponentially dependent on the applied force, increasing 10-fold over a 300 pN range. This result predicts that the disulfide bond lengthens by 0.34 å at the transition state of the thiol/disulfide exchange reaction. In addition to DTT, we also study the reduction of the engineered disulfide bond by the E. coli enzyme thioredoxin (Trx). Thioredoxins are enzymes that catalyze disulfide bond reduction in all organisms. As before, we apply a mechanical force in the range of 25-450 pN to the engineered disulfide bond substrate and monitor the reduction of these bonds by individual enzymes. In sharp contrast with the data obtained with DTT, we now observe two alternative forms of the catalytic reaction, the first requiring a reorientation of the substrate disulfide bond, causing a shortening of the substrate polypeptide by 0.76±0.07 å, and the second elongating the substrate disulfide bond by 0.21±0.01 å. These results support the view that the Trx active site regulates the geometry of the participating sulfur atoms, with sub-ångström precision, in order to achieve efficient catalysis. Single molecule

  6. Bonding durability of single-step adhesives to previously acid-etched dentin.

    PubMed

    Ikeda, Masahiko; Tsubota, Keishi; Takamizawa, Toshiki; Yoshida, Takeshi; Miyazaki, Masashi; Platt, Jeffrey A

    2008-01-01

    This study investigated the effect of phosphoric acid etching on the dentin bond strength of five single-step self-etch adhesive systems; Absolute, Clearfil tri-S Bond, Fluoro Bond Shake One, G-Bond and One-Up Bond F Plus. Bovine mandibular incisors were mounted in self-curing resin and the facial surfaces were wet ground with #600 SiC paper. Adhesives were applied on the prepared dentin surfaces with and without prior phosphoric acid etching and light irradiated. Resin composite was condensed into a mold (ø4x2 mm), light irradiated and stored in water at 37 degrees C. Four groups (n=10) were made per adhesive system: with and without prior acid etching and with and without thermal cycling between 5 degrees C and 55 degrees C for 10,000 cycles. The specimens were tested in a shear mode at a crosshead speed of 1.0 mm/minute. Two-way ANOVA, Student t-test and Tukey HSD test at a level of 0.05 were done. For specimens without prior acid etching, the mean bond strengths to bovine dentin ranged from 12.8 to 17.1 MPa and ranged from 6.7 to 13.3 MPa for specimens with prior acid etching after 24 hours storage in water. When the specimens were subjected to thermal cycling, the mean bond strengths ranged from 10.7 to 24.8 MPa for the specimens without prior acid etching and 4.6 to 13.9 MPa for the specimens with prior acid etching. The changes in dentin bond strength were different among the adhesive systems tested. Failure modes were commonly adhesive failure associated with mixed failure for specimens with prior acid etching. For specimens without prior acid etching, failures in composite and dentin were increased. From the results of this in vitro study, prior acid etching might be not acceptable for increasing the dentin bond strengths of single-step self-etch adhesive systems.

  7. Effect of prior acid etching on bonding durability of single-step adhesives.

    PubMed

    Watanabe, Takayuki; Tsubota, Keishi; Takamizawa, Toshiki; Kurokawa, Hiroyasu; Rikuta, Akitomo; Ando, Susumu; Miyazaki, Masashi

    2008-01-01

    This study investigated the effect of prior phosphoric acid etching on the enamel bond strength of five single-step self-etch adhesive systems: Absolute, Clearfil tri-S Bond, Fluoro Bond Shake One, G-Bond and One-Up Bond F Plus. Bovine mandibular incisors were mounted in self-curing resin, and the facial surfaces were wet ground with #600 silicon carbide paper. Adhesives were applied to the enamel surfaces with or without prior phosphoric-acid etching and light irradiated. The resin composites were condensed into a mold and light irradiated. In total, 40 specimens were tested per adhesive system with and without prior acid etching and were further divided into two groups: those stored in water at 37 degrees C for 24 hours without cycling and those stored in water at 37 degrees C for 24 hours followed by thermal cycling between 5 degrees C and 55 degrees C with 10,000 repeats. After storage under each set of conditions, the specimens were tested in shear mode at a crosshead speed of 1.0 mm/minute. Two-way analysis of variance, the Student's t-test and the Tukey HSD test were used to analyze the data at a significance level of 0.05. For the specimens without prior acid etching, the mean bond strengths to enamel ranged from 11.0 to 14.6 MPa after 24-hour storage in water, while the corresponding values for specimens with prior acid etching ranged from 15.2 to 19.3 MPa. When these specimens were subjected to thermal cycling, the mean bond strengths ranged from 11.3 to 17.0 MPa without prior acid etching and from 12.3 to 23.2 MPa with prior acid etching. The changes in enamel bond strengths differed among the adhesive systems tested. After 24-hour storage in water, the most common failure modes were adhesive failure and mixed failure for specimens with and without prior acid etching, respectively. Thus, through a careful choice of adhesive system, prior acid etching can increase the bond strengths of single-step self-etch adhesive systems.

  8. Single Molecule Junctions: A Laboratory for Chemistry, Mechanics and Bond Rupture

    SciTech Connect

    Hybertsen M. S.

    2013-07-08

    Simultaneous measurement [1] of junction conductance and sustained force in single molecule junctions bridging metal electrodes provides a powerful tool in the quantitative study of the character of molecule-metal bonds. In this talk I will discuss three topics. First, I will describe chemical trends in link bond strength based on experiments and Density Functional Theory based calculations. Second, I will focus on the specific case of pyridine-linked junctions. Bond rupture from the high conductance junction structure shows a requires a force that exceeds the rupture force of gold point contacts and clearly indicates the role of additional forces, beyond the specific N-Au donor acceptor bond. DFT-D2 calculations with empirical addition of dispersion interactions illustrates the interplay between the donor-acceptor bonding and the non-specific van der Waals interactions between the pyridine rings and Au asperities. Third, I will describe recent efforts to characterize the diversity of junction structures realized in break-junction experiments with suitable models for the potential surfaces that are observed. [1] Venkataraman Group, Columbia University.

  9. Dual Beneficial Effect of Interloop Disulfide Bond for Single Domain Antibody Fragments*

    PubMed Central

    Govaert, Jochen; Pellis, Mireille; Deschacht, Nick; Vincke, Cécile; Conrath, Katja; Muyldermans, Serge; Saerens, Dirk

    2012-01-01

    The antigen-binding fragment of functional heavy chain antibodies (HCAbs) in camelids comprises a single domain, named the variable domain of heavy chain of HCAbs (VHH). The VHH harbors remarkable amino acid substitutions in the framework region-2 to generate an antigen-binding domain that functions in the absence of a light chain partner. The substitutions provide a more hydrophilic, hence more soluble, character to the VHH but decrease the intrinsic stability of the domain. Here we investigate the functional role of an additional hallmark of dromedary VHHs, i.e. the extra disulfide bond between the first and third antigen-binding loops. After substituting the cysteines forming this interloop cystine by all 20 amino acids, we selected and characterized several VHHs that retain antigen binding capacity. Although VHH domains can function in the absence of an interloop disulfide bond, we demonstrate that its presence constitutes a net advantage. First, the disulfide bond stabilizes the domain and counteracts the destabilization by the framework region-2 hallmark amino acids. Second, the disulfide bond rigidifies the long third antigen-binding loop, leading to a stronger antigen interaction. This dual beneficial effect explains the in vivo antibody maturation process favoring VHH domains with an interloop disulfide bond. PMID:22128183

  10. Bond Strength of Silorane- and Methacrylate-Based Composites to Resin-Modified Glass Ionomers

    DTIC Science & Technology

    2012-01-13

    Mine et al., 2010). Yaman et al. (2010) examined premolars marked for extraction due to orthodontics , bonded either Filtek Supreme XT with Adper...337-44. Li Y, Lee S, Zhang W, Zunt S, Rohrer M. Dentin/ Pulp Biocompatibility of an Adhesive System for Silorane Restorative. IADR 2008, abstract

  11. 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)

  12. Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes

    NASA Astrophysics Data System (ADS)

    Pirrotta, Alessandro; De Vico, Luca; Solomon, Gemma C.; Franco, Ignacio

    2017-03-01

    The emerging ability to study physical properties at the single-molecule limit highlights the disparity between what is observable in an ensemble of molecules and the heterogeneous contributions of its constituent parts. A particularly convenient platform for single-molecule studies are molecular junctions where forces and voltages can be applied to individual molecules, giving access to a series of electromechanical observables that can form the basis of highly discriminating multidimensional single-molecule spectroscopies. Here, we computationally examine the ability of force and conductance to inform about molecular recognition events at the single-molecule limit. For this, we consider the force-conductance characteristics of a prototypical class of hydrogen bonded bimolecular complexes sandwiched between gold electrodes. The complexes consist of derivatives of a barbituric acid and a Hamilton receptor that can form up to six simultaneous hydrogen bonds. The simulations combine classical molecular dynamics of the mechanical deformation of the junction with non-equilibrium Green's function computations of the electronic transport. As shown, in these complexes hydrogen bonds mediate transport either by directly participating as a possible transport pathway or by stabilizing molecular conformations with enhanced conductance properties. Further, we observe that force-conductance correlations can be very sensitive to small changes in the chemical structure of the complexes and provide detailed information about the behavior of single molecules that cannot be gleaned from either measurement alone. In fact, there are regions during the elongation that are only mechanically active, others that are only conductance active, and regions where both force and conductance changes as the complex is mechanically manipulated. The implication is that force and conductance provide complementary information about the evolution of molecules in junctions that can be used to

  13. Hydrogen bond-promoted metallic state in a purely organic single-component conductor under pressure.

    PubMed

    Isono, Takayuki; Kamo, Hiromichi; Ueda, Akira; Takahashi, Kazuyuki; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Kobayashi, Kensuke; Murakami, Youichi; Mori, Hatsumi

    2013-01-01

    Purely organic materials are generally insulating. Some charge-carrier generation, however, can provide them with electrical conductivity. In multi-component organic systems, carrier generation by intermolecular charge transfer has given many molecular metals. By contrast, in purely organic single-component systems, metallic states have rarely been realized although some neutral-radical semiconductors have been reported. Here we uncover a new type of purely organic single-component molecular conductor by utilizing strong hydrogen-bonding interactions between tetrathiafulvalene-based electron-donor molecules. These conductors are composed of highly symmetric molecular units constructed by the strong intra-unit hydrogen bond. Moreover, we demonstrate that, in this system, charge carriers are produced by the partial oxidation of the donor molecules and delocalized through the formation of the symmetric intra-unit hydrogen bonds. As a result, our conductors show the highest room-temperature electrical conductivity and the metallic state under the lowest physical pressure among the purely organic single-component systems, to our knowledge.

  14. Single Molecule Study of Force-Induced Rotation of Carbon-Carbon Double Bonds in Polymers.

    PubMed

    Huang, Wenmao; Zhu, Zhenshu; Wen, Jing; Wang, Xin; Qin, Meng; Cao, Yi; Ma, Haibo; Wang, Wei

    2017-01-24

    Carbon-carbon double bonds (C═C) are ubiquitous in natural and synthetic polymers. In bulk studies, due to limited ways to control applied force, they are thought to be mechanically inert and not to contribute to the extensibility of polymers. Here, we report a single molecule force spectroscopy study on a polymer containing C═C bonds using atomic force microscope. Surprisingly, we found that it is possible to directly observe the cis-to-trans isomerization of C═C bonds at the time scale of ∼1 ms at room temperature by applying a tensile force ∼1.7 nN. The reaction proceeds through a diradical intermediate state, as confirmed by both a free radical quenching experiment and quantum chemical modeling. The force-free activation length to convert the cis C═C bonds to the transition state is ∼0.5 Å, indicating that the reaction rate is accelerated by ∼10(9) times at the transition force. On the basis of the density functional theory optimized structure, we propose that because the pulling direction is not parallel to C═C double bonds in the polymer, stretching the polymer not only provides tension to lower the transition barrier but also provides torsion to facilitate the rotation of cis C═C bonds. This explains the apparently low transition force for such thermally "forbidden" reactions and offers an additional explanation of the "lever-arm effect" of polymer backbones on the activation force for many mechanophores. This work demonstrates the importance of precisely controlling the force direction at the nanoscale to the force-activated reactions and may have many implications on the design of stress-responsive materials.

  15. Legionella pneumophila utilizes a single-player disulfide-bond oxidoreductase system to manage disulfide bond formation and isomerization.

    PubMed

    Kpadeh, Zegbeh Z; Day, Shandra R; Mills, Brandy W; Hoffman, Paul S

    2015-03-01

    Legionella pneumophila uses a single homodimeric disulfide bond (DSB) oxidoreductase DsbA2 to catalyze extracytoplasmic protein folding and to correct DSB errors through protein-disulfide isomerase (PDI) activity. In Escherichia coli, these functions are separated to avoid futile cycling. In L. pneumophila, DsbA2 is maintained as a mixture of disulfides (S-S) and free thiols (SH), but when expressed in E. coli, only the SH form is observed. We provide evidence to suggest that structural differences in DsbB oxidases (LpDsbB1 and LpDsbB2) and DsbD reductases (LpDsbD1 and LpDsbD2) (compared with E. coli) permit bifunctional activities without creating a futile cycle. LpdsbB1 and LpdsbB2 partially complemented an EcdsbB mutant while neither LpdsbD1 nor LpdsbD2 complemented an EcdsbD mutant unless DsbA2 was also expressed. When the dsb genes of E. coli were replaced with those of L. pneumophila, motility was restored and DsbA2 was present as a mixture of redox forms. A dominant-negative approach to interfere with DsbA2 function in L. pneumophila determined that DSB oxidase activity was necessary for intracellular multiplication and assembly/function of the Dot/Icm Type IVb secretion system. Our studies show that a single-player system may escape the futile cycle trap by limiting transfer of reducing equivalents from LpDsbDs to DsbA2.

  16. On the Involvement of Single-Bond Rotation in the Primary Photochemistry of Photoactive Yellow Protein

    PubMed Central

    Stahl, Andreas D.; Hospes, Marijke; Singhal, Kushagra; van Stokkum, Ivo; van Grondelle, Rienk; Groot, Marie Louise; Hellingwerf, Klaas J.

    2011-01-01

    Prior experimental observations, as well as theoretical considerations, have led to the proposal that C4-C7 single-bond rotation may play an important role in the primary photochemistry of photoactive yellow protein (PYP). We therefore synthesized an analog of this protein's 4-hydroxy-cinnamic acid chromophore, (5-hydroxy indan-(1E)-ylidene)acetic acid, in which rotation across the C4-C7 single bond has been locked with an ethane bridge, and we reconstituted the apo form of the wild-type protein and its R52A derivative with this chromophore analog. In PYP reconstituted with the rotation-locked chromophore, 1), absorption spectra of ground and intermediate states are slightly blue-shifted; 2), the quantum yield of photochemistry is ∼60% reduced; 3), the excited-state dynamics of the chromophore are accelerated; and 4), dynamics of the thermal recovery reaction of the protein are accelerated. A significant finding was that the yield of the transient ground-state intermediate in the early phase of the photocycle was considerably higher in the rotation-locked samples than in the corresponding samples reconstituted with p-coumaric acid. In contrast to theoretical predictions, the initial photocycle dynamics of PYP were observed to be not affected by the charge of the amino acid residue at position 52, which was varied by 1), varying the pH of the sample between 5 and 10; and 2), site-directed mutagenesis to construct R52A. These results imply that C4-C7 single-bond rotation in PYP is not an alternative to C7=C8 double-bond rotation, in case the nearby positive charge of R52 is absent, but rather facilitates, presumably with a compensatory movement, the physiological Z/E isomerization of the blue-light-absorbing chromophore. PMID:21889456

  17. Bonding surgical incisions using a temperature-controlled laser system based on a single infrared fiber.

    PubMed

    Gabay, Ilan; Barequet, Irina; Varssano, David; Rosner, Mordechai; Katzir, Abraham

    2013-11-01

    ABSTRACT. Although there has been great interest in laser heating for bonding of surgical incisions in tissues, it has not gained wide acceptance by surgeons. We argue that the main obstacle has been the lack of temperature control, which may lead to a weak bonding. We previously developed a laser bonding system based on two infrared transmitting AgBrCl fibers, one for laser heating and one for temperature control. In view of the inherent limitations of such systems observed in many animal experiments, we developed an improved system based on a single infrared fiber. Besides the decreased dimensions, this system offers many advantages over the two-fiber system. It is less sensitive to accuracy of height and tilt of the fiber distal tip above the tissue, ensuring more accurate heating that can potentially lead to stronger bonding with minimal thermal damage. The system is successfully tested in the soldering of 15 corneal incisions, ex vivo. Histopathology shows little thermal damage and good wound apposition. The average burst pressure is 100±30  mm Hg. These findings indicate the usefulness of the system for ophthalmic surgery as well as other surgical procedures, including endoscopic and robotic surgery.

  18. Relationships among the structural topology, bond strength, and mechanical properties of single-walled aluminosilicate nanotubes.

    PubMed

    Liou, Kai-Hsin; Tsou, Nien-Ti; Kang, Dun-Yen

    2015-10-21

    Carbon nanotubes (CNTs) are regarded as small but strong due to their nanoscale microstructure and high mechanical strength (Young's modulus exceeds 1000 GPa). A longstanding question has been whether there exist other nanotube materials with mechanical properties as good as those of CNTs. In this study, we investigated the mechanical properties of single-walled aluminosilicate nanotubes (AlSiNTs) using a multiscale computational method and then conducted a comparison with single-walled carbon nanotubes (SWCNTs). By comparing the potential energy estimated from molecular and macroscopic material mechanics, we were able to model the chemical bonds as beam elements for the nanoscale continuum modeling. This method allowed for simulated mechanical tests (tensile, bending, and torsion) with minimum computational resources for deducing their Young's modulus and shear modulus. The proposed approach also enabled the creation of hypothetical nanotubes to elucidate the relative contributions of bond strength and nanotube structural topology to overall nanotube mechanical strength. Our results indicated that it is the structural topology rather than bond strength that dominates the mechanical properties of the nanotubes. Finally, we investigated the relationship between the structural topology and the mechanical properties by analyzing the von Mises stress distribution in the nanotubes. The proposed methodology proved effective in rationalizing differences in the mechanical properties of AlSiNTs and SWCNTs. Furthermore, this approach could be applied to the exploration of new high-strength nanotube materials.

  19. Single-molecule bonds characterized by solid-state nanopore force spectroscopy.

    PubMed

    Tabard-Cossa, Vincent; Wiggin, Matthew; Trivedi, Dhruti; Jetha, Nahid N; Dwyer, Jason R; Marziali, Andre

    2009-10-27

    Weak molecular interactions drive processes at the core of living systems, such as enzyme-substrate interactions, receptor-ligand binding, and nucleic acid replication. Single-molecule force spectroscopy is a remarkable tool for revealing molecular scale energy landscapes of noncovalent bonds, by exerting a mechanical force directly on an individual molecular complex and tracking its survival as a function of time and applied force. In principle, force spectroscopy methods can also be used for highly specific molecular recognition assays, by directly characterizing the strength of bonds between probe and target molecules. However, complexity and low throughput of conventional force spectroscopy techniques render such biosensing applications impractical. Here we demonstrate a straightforward single-molecule approach, suitable for both biophysical studies and molecular recognition assays, in which a approximately 3 nm silicon nitride nanopore is used to determine the bond lifetime spectrum of the biotin-neutravidin complex. Thousands of individual molecular complexes are captured and dissociated in the solid-state nanopore under constant applied forces, ranging from 400 to 900 mV, allowing us to extract the location of the energy barrier that governs the interaction, mapped at Deltax approximately 0.5 nm. These results highlight the capacity of a solid-state nanopore to detect and characterize intermolecular interactions and demonstrate how this could be applied to rapid, highly specific molecular detection assays.

  20. Mechanics and chemistry: single molecule bond rupture forces correlate with molecular backbone structure.

    PubMed

    Frei, Michael; Aradhya, Sriharsha V; Koentopp, Max; Hybertsen, Mark S; Venkataraman, L

    2011-04-13

    We simultaneously measure conductance and force across nanoscale junctions. A new, two-dimensional histogram technique is introduced to statistically extract bond rupture forces from a large data set of individual junction elongation traces. For the case of Au point contacts, we find a rupture force of 1.4 ± 0.2 nN, which is in good agreement with previous measurements. We then study systematic trends for single gold metal-molecule-metal junctions for a series of molecules terminated with amine and pyridine linkers. For all molecules studied, single molecule junctions rupture at the Au-N bond. Selective binding of the linker group allows us to correlate the N-Au bond-rupture force to the molecular backbone. We find that the rupture force ranges from 0.8 nN for 4,4' bipyridine to 0.5 nN in 1,4 diaminobenzene. These experimental results are in excellent quantitative agreement with density functional theory based adiabatic molecular junction elongation and rupture calculations.

  1. Numerical simulation and experimental study of transient liquid phase bonding of single crystal superalloys

    NASA Astrophysics Data System (ADS)

    Ghoneim, Adam

    The primary goals of the research in this dissertation are to perform a systematic study to identify and understand the fundamental cause of prolonged processing time during transient liquid phase bonding of difficult-to-bond single crystal Ni-base materials, and use the acquired knowledge to develop an effective way to reduce the isothermal solidification time without sacrificing the single crystalline nature of the base materials. To achieve these objectives, a multi-scale numerical modeling approach, that involves the use of a 2-D fully implicit moving-mesh Finite Element method and a Cellular Automata method, was developed to theoretically investigate the cause of long isothermal solidification times and determine a viable way to minimize the problem. Subsequently, the predictions of the theoretical models are experimentally validated. Contrary to previous suggestions, numerical calculations and experimental verifications have shown that enhanced intergranular diffusivity has a negligible effect on solidification time in cast superalloys and that another important factor must be responsible. In addition, it was found that the concept of competition between solute diffusivity and solubility as predicted by standard analytical TLP bonding models and reported in the literature as a possible cause of long solidification times is not suitable to explain salient experimental observations. In contrast, however, this study shows that the problem of long solidification times, which anomalously increase with temperature is fundamentally caused by departure from diffusion controlled parabolic migration of the liquid-solid interface with holding time during bonding due to a significant reduction in the solute concentration gradient in the base material. Theoretical analyses showed it is possible to minimize the solidification time and prevent formation of stray-grains in joints between single crystal substrates by using a composite powder mixture of brazing alloy and base

  2. Effect of Different Bonding Strategies on Adhesion to Deep and Superficial Permanent Dentin

    PubMed Central

    Pegado, Rafael Eduardo Fernandes; do Amaral, Flávia Lucisano Botelho; Flório, Flávia Martão; Basting, Roberta Tarkany

    2010-01-01

    Objectives: To evaluate the effect of different bonding strategies on the microtensile bond strength to deep and superficial permanent dentin. Methods: Forty-eight teeth were randomly flattened according to the dentin depth: superficial dentin (SD) and deep dentin (DD). Subsequently, three adhesive systems were applied (n=8): an etch-and-rinse (Adper Single Bond 2 - SB), a “mild” two-step self-etching (Clearfil SE Bond - SE) and a one-step self-etching adhesive system (Futurabond – FB). Each specimen was restored with a composite resin and sectioned into 1.0-mm2 thick slabs. After 24 hours, resin-dentin sticks were submitted to tensile stress in a universal testing machine (0.5 mm/min). Data were submitted to two-way ANOVA and Tukey’s test at a level of 0.05%. Results: Superficial dentin showed the highest microtensile bond strength values, which differed statistically from those obtained in the deep dentin, irrespective of the adhesive system used. FB yielded the highest bond strength values, which were statistically similar to the bond strength values of SE, but statistically different from those obtained when the SB adhesive was used. Conclusions: Bond strength obtained in superficial dentin was significantly higher than in deep dentin, for all adhesive systems tested. Adhesion was affected by the different bonding strategies: the one-step, low pH, acetone-based self-etching adhesive promoted the higher bond strength values, which were statistically similar to those obtained with the two-step, water-based self-etching adhesive. PMID:20396440

  3. Aniline hydrogenolysis on the Pt(111) single crystal surface: Mechanisms for C-N bond activation

    SciTech Connect

    Huang, S.X.; Gland, J.L.; Fischer, D.A. |

    1993-12-31

    Hydrogenolysis of C-N bond on transition metals is a crucial step in hydrodenitrogenation (HDN) reactions. Despite the overall complexity of HDN processes, the details of important surface reactions can be characterized using model reactions of organonitrogen compounds on single crystal model catalysts. The structure and reactivity of well characterized aniline monolayers on the Pt(111) surface both in vacuum and in the presence of hydrogen is discussed here. Adsorption and reactions of aniline were studied by Gland and Somorjai on the Pt(111) and Pt(100) surfaces, and more recently by Benziger`s group on the Ni(111) and Ni(100) surfaces. On both Pt and Ni surfaces, aniline {pi} bonds through the aromatic ring with its ring parallel to the substrate surface.

  4. A single prolonged stress paradigm produces enduring impairments in social bonding in monogamous prairie voles.

    PubMed

    Arai, Aki; Hirota, Yu; Miyase, Naoki; Miyata, Shiori; Young, Larry J; Osako, Yoji; Yuri, Kazunari; Mitsui, Shinichi

    2016-12-15

    Traumatic events such as natural disasters, violent crimes, tragic accidents, and war, can have devastating impacts on social relationships, including marital partnerships. We developed a single prolonged stress (SPS) paradigm, which consisted of restraint, forced swimming, and ether anesthesia, to establish an animal model relevant to post-traumatic stress disorder. We applied a SPS paradigm to a monogamous rodent, the prairie vole (Microtus ochrogaster) in order to determine whether a traumatic event affects the establishment of pair bonds. We did not detect effects of the SPS treatment on anhedonic or anxiety-like behavior. Sham-treated male voles huddled with their partner females, following a 6day cohabitation, for a longer duration than with a novel female, indicative of a pair bond. In contrast, SPS-treated voles indiscriminately huddled with the novel and partner females. Interestingly, the impairment of pair bonding was rescued by oral administration of paroxetine, a selective serotonin reuptake inhibitor (SSRI), after the SPS treatment. Immunohistochemical analyses revealed that oxytocin immunoreactivity (IR) was significantly decreased in the supraoptic nucleus (SON), but not in the paraventricular nucleus (PVN), 7days after SPS treatment, and recovered 14days after SPS treatment. After the presentation of a partner female, oxytocin neurons labeled with Fos IR was significantly increased in SPS-treated voles compared with sham-treated voles regardless of paroxetine administration. Our results suggest that traumatic events disturb the formation of pair bond possibly through an interaction with the serotonergic system, and that SSRIs are candidates for the treatment of social problems caused by traumatic events. Further, a vole SPS model may be useful for understanding mechanisms underlying the impairment of social bonding by traumatic events.

  5. A Single-Lap Joint Adhesive Bonding Optimization Method Using Gradient and Genetic Algorithms

    NASA Technical Reports Server (NTRS)

    Smeltzer, Stanley S., III; Finckenor, Jeffrey L.

    1999-01-01

    A natural process for any engineer, scientist, educator, etc. is to seek the most efficient method for accomplishing a given task. In the case of structural design, an area that has a significant impact on the structural efficiency is joint design. Unless the structure is machined from a solid block of material, the individual components which compose the overall structure must be joined together. The method for joining a structure varies depending on the applied loads, material, assembly and disassembly requirements, service life, environment, etc. Using both metallic and fiber reinforced plastic materials limits the user to two methods or a combination of these methods for joining the components into one structure. The first is mechanical fastening and the second is adhesive bonding. Mechanical fastening is by far the most popular joining technique; however, in terms of structural efficiency, adhesive bonding provides a superior joint since the load is distributed uniformly across the joint. The purpose of this paper is to develop a method for optimizing single-lap joint adhesive bonded structures using both gradient and genetic algorithms and comparing the solution process for each method. The goal of the single-lap joint optimization is to find the most efficient structure that meets the imposed requirements while still remaining as lightweight, economical, and reliable as possible. For the single-lap joint, an optimum joint is determined by minimizing the weight of the overall joint based on constraints from adhesive strengths as well as empirically derived rules. The analytical solution of the sin-le-lap joint is determined using the classical Goland-Reissner technique for case 2 type adhesive joints. Joint weight minimization is achieved using a commercially available routine, Design Optimization Tool (DOT), for the gradient solution while an author developed method is used for the genetic algorithm solution. Results illustrate the critical design variables

  6. The IR evidence of H 2O-aromatic hydrocarbons single hydrogen bond

    NASA Astrophysics Data System (ADS)

    Dobrowolski, Jan Cz.; Jamróz, Michał H.

    1993-03-01

    The ν 3 and ν 1 IR bands of water dissolved in benzene, toluene, cumene, xylenes, CCl 2FCClF 2, CCl 4, CS 2, CDCl 3 and CH 2ClCH 2Cl were observed. On the basis of the ν 3 to ν 1 band intensity ratio it is concluded that in aromatic solvents water forms a single hydrogen bond and acts as the proton donor. Additionally based on band shifts it is suggested that water in CH 2ClCH 2Cl, CDCl 3 and CS 2 plays electron donor role.

  7. Refoldable Foldamers: Global Conformational Switching by Deletion or Insertion of a Single Hydrogen Bond

    PubMed Central

    Le Bailly, Bryden A. F.; Byrne, Liam

    2016-01-01

    Abstract Small changes in the structure of a foldamer may lead to gross changes in conformational preference. We show that the simple insertion or deletion of a single hydrogen bond by changes in pH or by photochemical deprotection is sufficient to refold a helical oligomer, interconverting M and P screw‐sense preference. As a consequence of the switch, information may be transmitted to a remote catalytic site, selectively directing the formation of either of two enantiomeric products by a reaction involving 1,22‐remote intermolecular asymmetric induction. PMID:26762559

  8. The role of intra-domain disulfide bonds in heat-induced irreversible denaturation of camelid single domain VHH antibodies

    PubMed Central

    Akazawa-Ogawa, Yoko; Uegaki, Koichi; Hagihara, Yoshihisa

    2016-01-01

    Camelid-derived single domain VHH antibodies are highly heat resistant, and the mechanism of heat-induced VHH denaturation predominantly relies on the chemical modification of amino acids. Although chemical modification of disulfide bonds has been recognized as a cause for heat-induced denaturation of many proteins, there have been no mutagenesis studies, in which the number of disulfide bonds was controlled. In this article, we examined a series of mutants of two different VHHs with single, double or no disulfide bonds, and scrutinized the effects of these disulfide bond modifications on VHH denaturation. With the exception of one mutant, the heat resistance of VHHs decreased when the number of disulfide bonds increased. The effect of disulfide bonds on heat denaturation was more striking if the VHH had a second disulfide bond, suggesting that the contribution of disulfide shuffling is significant in proteins with multiple disulfide bonds. Furthermore, our results directly indicate that removal of a disulfide bond can indeed increase the heat resistance of a protein, irrespective of the negative impact on equilibrium thermodynamic stability. PMID:26289739

  9. The role of intra-domain disulfide bonds in heat-induced irreversible denaturation of camelid single domain VHH antibodies.

    PubMed

    Akazawa-Ogawa, Yoko; Uegaki, Koichi; Hagihara, Yoshihisa

    2016-01-01

    Camelid-derived single domain VHH antibodies are highly heat resistant, and the mechanism of heat-induced VHH denaturation predominantly relies on the chemical modification of amino acids. Although chemical modification of disulfide bonds has been recognized as a cause for heat-induced denaturation of many proteins, there have been no mutagenesis studies, in which the number of disulfide bonds was controlled. In this article, we examined a series of mutants of two different VHHs with single, double or no disulfide bonds, and scrutinized the effects of these disulfide bond modifications on VHH denaturation. With the exception of one mutant, the heat resistance of VHHs decreased when the number of disulfide bonds increased. The effect of disulfide bonds on heat denaturation was more striking if the VHH had a second disulfide bond, suggesting that the contribution of disulfide shuffling is significant in proteins with multiple disulfide bonds. Furthermore, our results directly indicate that removal of a disulfide bond can indeed increase the heat resistance of a protein, irrespective of the negative impact on equilibrium thermodynamic stability.

  10. Push-Out Bond Strength of Restorations with Bulk-Fill, Flow, and Conventional Resin Composites

    PubMed Central

    Caixeta, Rodrigo Vieira; Guiraldo, Ricardo Danil; Kaneshima, Edmilson Nobumitu; Barbosa, Aline Silvestre; Picolotto, Cassiana Pedrotti; Lima, Ana Eliza de Souza; Gonini Júnior, Alcides; Berger, Sandrine Bittencourt

    2015-01-01

    The aim of this study was to evaluate the bond strengths of composite restorations made with different filler amounts and resin composites that were photoactivated using a light-emitting diode (LED). Thirty bovine incisors were selected, and a conical cavity was prepared in the facial surface of each tooth. All preparations were etched with Scotchbond Etching Gel, the Adper Scotchbond Multipurpose Plus adhesive system was applied followed by photoactivation, and the cavities were filled with a single increment of Filtek Z350 XT, Filtek Z350 XT Flow, or bulk-fill X-tra fil resin composite (n = 10) followed by photoactivation. A push-out test to determine bond strength was conducted using a universal testing machine. Data (MPa) were submitted to Student's t-test at a 5% significance level. After the test, the fractured specimens were examined using an optical microscope under magnification (10x). Although all three composites demonstrated a high prevalence of adhesive failures, the bond strength values of the different resin composites photoactivated by LED showed that the X-tra fil resin composite had a lower bond strength than the Filtek Z350 XT and Filtek Z350 XT Flow resin composites. PMID:26457322

  11. Effect of Intermediate Agents and Preheated Composites on Repair Bond Strength of Silorane-Based Composites

    PubMed Central

    Shafiei, Fereshteh; Daryadar, Marzieh

    2015-01-01

    Objectives: Repairing composite restorations is a challenging procedure especially when two different types of composites are used. This study aimed to compare the repair strength of silorane-based composite (SC) (Filtek P90) with that of preheated SC, methacrylate composite (MC)(Z250), flowable MC (Filtek Supreme Plus) and different adhesive/composite combinations. Materials and Methods: Eighty-four SC specimens were fabricated and randomly divided into seven groups (G). In the control group (G7), SC was bonded immediately to SC. The other specimens were water-aged for two months and were then roughened, etched and repaired with the following materials: G1) Silorane Adhesive Bond (SAB)/SC; G2) Preheated SC; G3) SAB/MC; G4) Adper Single Bond (SB)/MC; G5) Flowable MC/MC; G6) Preheated MC. After water storage and thermocycling, the repaired specimens were subjected to shear bond strength testing. The data were analyzed using ANOVA and Tukey’s test. Results: Preheated SC and MC, flowable MC and SAB/SC resulted in bond strength comparable to that of the control group. Preheated SC showed significantly higher bond strength when compared to SAB/MC (P=0.04) and SB/MC (P<0.001). Bond strength of SB/MC was significantly lower than that of the other groups (P<0.05), except for SAB/SC and SAB/MC. Conclusion: All repairing materials except for SB/MC resulted in bond strength values comparable to that of the control group. Repair with preheated SC yielded the highest bond strength. PMID:27148378

  12. Single-molecule force spectroscopy of the Aplysia cell adhesion molecule reveals two homophilic bonds.

    PubMed

    Martines, E; Zhong, J; Muzard, J; Lee, A C; Akhremitchev, B B; Suter, D M; Lee, G U

    2012-08-22

    Aplysia californica neurons comprise a powerful model system for quantitative analysis of cellular and biophysical properties that are essential for neuronal development and function. The Aplysia cell adhesion molecule (apCAM), a member of the immunoglobulin superfamily of cell adhesion molecules, is present in the growth cone plasma membrane and involved in neurite growth, synapse formation, and synaptic plasticity. apCAM has been considered to be the Aplysia homolog of the vertebrate neural cell adhesion molecule (NCAM); however, whether apCAM exhibits similar binding properties and neuronal functions has not been fully established because of the lack of detailed binding data for the extracellular portion of apCAM. In this work, we used the atomic force microscope to perform single-molecule force spectroscopy of the extracellular region of apCAM and show for the first time (to our knowledge) that apCAM, like NCAM, is indeed a homophilic cell adhesion molecule. Furthermore, like NCAM, apCAM exhibits two distinct bonds in the trans configuration, although the kinetic and structural parameters of the apCAM bonds are quite different from those of NCAM. In summary, these single-molecule analyses further indicate that apCAM and NCAM are species homologs likely performing similar functions.

  13. A fusion of the closed-shell coupled cluster singles and doubles method and valence-bond theory for bond breaking.

    PubMed

    Small, David W; Head-Gordon, Martin

    2012-09-21

    Closed-shell coupled cluster singles and doubles (CCSD) is among the most important of electronic-structure methods. However, it fails qualitatively when applied to molecular systems with more than two strongly correlated electrons, such as those with stretched or broken covalent bonds. We show that it is possible to modify the doubles amplitudes to obtain a closed-shell CCSD method that retains the computational cost and desirable features of standard closed-shell CCSD, e.g., correct spin symmetry, size extensivity, orbital invariance, etc., but produces greatly improved energies upon bond dissociation of multiple electron pairs; indeed, under certain conditions the dissociation energies are exact.

  14. Effect of increased dwell times for solvent evaporation on the bond strength and degree of conversion of an ethanol-based adhesive system.

    PubMed

    Argolo, Saryta; Oliveira, Denise C; Fontes, Céres M; Lima, Adriano F; de Freitas, Anderson P; Cavalcanti, Andrea N

    2012-01-01

    This study evaluated the influence of the prolonged setting time of an ethanol-based adhesive system on the dentin bond strength and degree of conversion. Labial and lingual surfaces of fifteen human third molars were flattened until the dentin was exposed and randomly allocated to 3 groups (n = 10), according to the dwell time between the application of two consecutive layers of the adhesive system (Adper Single Bond Plus, 3M ESPE) and light activation: G1--control (no extra dwell time); G2 and G3--dwell time of 30 seconds and 60 seconds, respectively. After light curing, two cylinders (1.4 x 1 mm) of composite resin (Filtek Flow, 3M ESPE) were bonded to each surface and submitted to micro-shear testing, 24 hours after light curing. A similar adhesive procedure was used for the degree of conversion evaluation using Fourier transform infrared spectroscopy (FTIR). Significant differences between bond strength values (p = 0.0003) and degrees of conversion (p = 0.0004) were detected. The bond strength of G3 (60-second dwell time) was statistically higher than that of other groups. G1 (control) and G2 (30-second dwell time) presented similar results. Values of degree of conversion indicated that both the 30-second and 60-second dwell times resulted in similar and greater percentages of conversion. The use of a longer dwell time (60 seconds) might provide better solvent volatilization and monomer infiltration; bringing benefits to dentin bonding using simplified etch & rinse adhesive systems.

  15. Shear bond strength of resin cement to an acid etched and a laser irradiated ceramic surface

    PubMed Central

    Motro, Pelin Fatma Karagoz; Yurdaguven, Haktan

    2013-01-01

    PURPOSE To evaluate the effects of hydrofluoric acid etching and Er,Cr:YSGG laser irradiation on the shear bond strength of resin cement to lithium disilicate ceramic. MATERIALS AND METHODS Fifty-five ceramic blocks (5 mm × 5 mm × 2 mm) were fabricated and embedded in acrylic resin. Their surfaces were finished with 1000-grit silicon carbide paper. The blocks were assigned to five groups: 1) 9.5% hydrofluoric-acid etching for 60 s; 2-4), 1.5-, 2.5-, and 6-W Er,Cr:YSGG laser applications for 60 seconds, respectively; and 5) no treatment (control). One specimen from each group was examined using scanning electron microscopy. Ceramic primer (Rely X ceramic primer) and adhesive (Adper Single Bond) were applied to the ceramic surfaces, followed by resin cement to bond the composite cylinders, and light curing. Bonded specimens were stored in distilled water at 37℃ for 24 hours. Shear bond strengths were determined by a universal testing machine at 1 mm/min crosshead speed. Data were analyzed using Kruskal-Wallis and Mann-Whitney U-tests (α=0.05). RESULTS Adhesion was significantly stronger in Group 2 (3.88 ± 1.94 MPa) and Group 3 (3.65 ± 1.87 MPa) than in Control group (1.95 ± 1.06 MPa), in which bonding values were lowest (P<.01). No significant difference was observed between Group 4 (3.59 ± 1.19 MPa) and Control group. Shear bond strength was highest in Group 1 (8.42 ± 1.86 MPa; P<.01). CONCLUSION Er,Cr:YSGG laser irradiation at 1.5 and 2.5 W increased shear bond strengths between ceramic and resin cement compared with untreated ceramic surfaces. Irradiation at 6 W may not be an efficient ceramic surface treatment technique. PMID:23755333

  16. How erosive drinks and enzyme inhibitors impact bond strength to dentin.

    PubMed

    Machado, Camila Moreira; Zamuner, Aline Cristina; Modena, Karin Cristina da Silva; Ishikiriama, Sérgio Kiyoshi; Wang, Linda

    2015-01-01

    Concern has been raised about the bonding of restorative procedures to an erosive lesion, given the change in organic and inorganic composition and structure of this substrate. This in vitro study evaluated the effect of erosive drinks and an enzyme inhibitor (2% chlorhexidine digluconate - 2% CHX) on bond strength to dentin. Sixty sound human third molars were selected, and the occlusal enamel was flattened, exposing the dentin surface. The specimens were randomly divided into three groups: AS-Artificial saliva (control group), RC- Regular Cola and ZC- Zero Cola. Twenty specimens were immersed in their respective solution for 1 minute, 3 times a day, over the course of 5 days. After acid etching and before bonding with Adper Single Bond 2, half of the samples of each group (n = 10) were treated with 2% CHX, whereas the other half (n = 10) were not, forming the control group (CONV). All the specimens were restored with Filtek Z250 composite resin filled in Tygon tubes (0.48 mm2), yielding six microcylinders for microshear bond strength testing. Three composite resin microcylinders of each specimen were tested after 1 month, and the remaining microcylinders were tested after 6 months. Failure modes were determined using a stereomicroscope (40x). The data were statistically analyzed by three-way ANOVA and Tukey tests (α = 0.05). Overall bonding was reduced after 6 months, regardless of treatment. The 2% CHX enhanced bond strength after 1 month only in the ZC group, and did not enhance bonding performance to demineralized dentin by erosive protocol after 6 months in any group.

  17. Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

    PubMed Central

    2016-01-01

    A new molecular descriptor, nConf20, based on chemical connectivity, is presented which captures the accessible conformational space of a molecule. Currently the best available two-dimensional descriptors for quantifying the flexibility of a particular molecule are the rotatable bond count (RBC) and the Kier flexibility index. We present a descriptor which captures this information by sampling the conformational space of a molecule using the RDKit conformer generator. Flexibility has previously been identified as a key feature in determining whether a molecule is likely to crystallize or not. For this application, nConf20 significantly outperforms previously reported single-variable classifiers and also assists rule-based analysis of black-box machine learning classification algorithms. PMID:28024401

  18. Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor.

    PubMed

    Wicker, Jerome G P; Cooper, Richard I

    2016-12-27

    A new molecular descriptor, nConf20, based on chemical connectivity, is presented which captures the accessible conformational space of a molecule. Currently the best available two-dimensional descriptors for quantifying the flexibility of a particular molecule are the rotatable bond count (RBC) and the Kier flexibility index. We present a descriptor which captures this information by sampling the conformational space of a molecule using the RDKit conformer generator. Flexibility has previously been identified as a key feature in determining whether a molecule is likely to crystallize or not. For this application, nConf20 significantly outperforms previously reported single-variable classifiers and also assists rule-based analysis of black-box machine learning classification algorithms.

  19. Formation of a dinuclear copper(II) complex through the cleavage of CN bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    SciTech Connect

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M.; Kassim, Mohammad B.

    2014-09-03

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-(3-(pyridin-2-yl)-pyrazolato) and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the C{sub benzoyl}N bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the (3-(pyridin-2-yl)-pyrazolato)(3-(pyridin-2-yl)-1H-pyrazole)Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ε = 116 dm{sup 3} mol{sup −1} cm{sup −1}) supports the presence of Cu(II) centres.

  20. Formation of a dinuclear copper(II) complex through the cleavage of CN bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    NASA Astrophysics Data System (ADS)

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M.; Kassim, Mohammad B.

    2014-09-01

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-{3-(pyridin-2-yl)-pyrazolato} and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the CbenzoylN bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the {3-(pyridin-2-yl)-pyrazolato}{3-(pyridin-2-yl)-1H-pyrazole}Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ɛ = 116 dm3 mol-1 cm-1) supports the presence of Cu(II) centres.

  1. Effect of cell and microvillus mechanics on the transmission of applied loads to single bonds in dynamic force spectroscopy

    NASA Astrophysics Data System (ADS)

    Gupta, V. K.; Eggleton, C. D.

    2011-07-01

    Receptor-ligand interactions that mediate cellular adhesion are often subjected to forces that regulate their detachment via modulating off-rates. Although the dynamics of detachment is primarily controlled by the physical chemistry of adhesion molecules, cellular features such as cell deformability and microvillus viscoelasticity have been shown to affect the rolling velocity of leukocytes in vitro through experiments and simulation. In this work, we demonstrate via various micromechanical models of two cells adhered by a single (intramolecular) bond that cell deformability and microvillus viscoelasticity modulate transmission of an applied external load to an intramolecular bond, and thus the dynamics of detachment. Specifically, it is demonstrated that the intermolecular bond force is not equivalent to the instantaneous applied force and that the instantaneous bond force decreases with cellular and microvillus compliance. As cellular compliance increases, not only does the time lag between the applied load and the bond force increase, an initial response time is observed during which cell deformation is observed without transfer of force to the bond. It is further demonstrated that following tether formation the instantaneous intramoleular bond force increases linearly at a rate dependent on microvillus viscosity. Monte Carlo simulations with fixed kinetic parameters predict that both cell and microvillus compliance increase the average rupture time, although the average rupture force based on bond length remains nearly unchanged.

  2. In vitro Comparative Evaluation of Tensile Bond Strength of 6th, 7th and 8th Generation Dentin Bonding Agents

    PubMed Central

    Kamble, Suresh S; Kandasamy, Baburajan; Thillaigovindan, Ranjani; Goyal, Nitin Kumar; Talukdar, Pratim; Seal, Mukut

    2015-01-01

    Background: Newer dentin bonding agents were developed to improve the quality of composite restoration and to reduce time consumption in its application. The aim of the present study was to evaluate tensile bond strength of 6th, 7th and 8th generation bonding agents by in vitro method. Materials and Methods: Selected 60 permanent teeth were assigned into 20 in each group (Group I: 6th generation bonding agent-Adper SE plus 3M ESPE, Group II: 7th generation bonding agent-G-Bond GC Corp Japan and Group III: 8th generation dentin adhesives-FuturaBond, DC, Voco, Germany). With high-speed diamond disc, coronal dentin was exposed, and selected dentin bonding agents were applied, followed by composite restoration. All samples were saved in saline for 24 h and tensile bond strength testing was done using a universal testing machine. The obtained data were tabulated and statistically analyzed using ANOVA test. Results: The tensile bond strength readings for 6th generation bonding agent was 32.2465, for 7th generation was 31.6734, and for 8th-generation dentine bonding agent was 34.74431. The highest tensile bond strength was seen in 8th generation bonding agent compared to 6th and 7th generation bonding agents. Conclusion: From the present study it can be conclude that 8th generation dentine adhesive (Futura DC, Voco, Germany) resulted in highest tensile bond strength compared to 6th (Adper SE plus, 3M ESPE) and 7th generation (G-Bond) dentin bonding agents. PMID:26028901

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

    PubMed Central

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

    2015-01-01

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

  4. Shear bond strength and ultrastructural interface analysis of different adhesive systems to Er:YAG laser-prepared dentin.

    PubMed

    Guven, Yeliz; Aktoren, Oya

    2015-02-01

    The aim of this study was to evaluate the shear bond strength (SBS) of a microhybrid composite resin bonded with three different adhesive systems to Er:YAG laser- (EL) or bur-prepared dentin surfaces and to analyze the quality and ultrastructure of the adhesive-dentin interfaces by scanning electron microscopy (SEM). The specimens prepared for SBS test and SEM analysis were randomly assigned to eight groups (G1-G8): G1, EL (Fidelis PlusIII, Fotona) + Clearfil S3 Bond (C3S); G2, EL + AdperSE Plus (SE); G3, EL + laser etch + Adper Single Bond2 (SB2); G4, EL + acid etch + SB2; G5, EL + SB2 (no etching); G6, bur + acid etch + SB2; G7, bur + S3; G8, bur + SE. Laser was used in very short pulse mode at a setting of 200 mJ/20 Hz for dentin preparation and at 80 mJ/10 Hz for dentin etching. Bond strength test: 3.5 × 2.0 mm cylindrical molds were placed onto adhesives and filled with the composites. After 24 h in distilled water, SBS was tested at a crosshead speed of 0.5 mm/min. SEM analysis: The dentin-adhesive interfaces were evaluated for the ultrastructure of hybrid layer. Data of SBS (MPa) were statistically analyzed by ANOVA and Tukey HSD. ER:YAG laser-prepared dentin has demonstrated significantly more SBS (p < 0.01) for SE when compared to bur-prepared dentin. No significancies (p > 0.05) in SBS have been determined between the total-etch adhesive applied groups with regard to etching types. SEM analysis revealed that hybrid layers obtained in Er:YAG laser-irradiated dentin exhibited more irregular and non-homogeneous pattern than the conventionally prepared dentin. In conclusion, SE Bond demonstrated superior results in Er:YAG laser-ablated dentin compared to bur-prepared dentin.

  5. Modeling Progressive Failure of Bonded Joints Using a Single Joint Finite Element

    NASA Technical Reports Server (NTRS)

    Stapleton, Scott E.; Waas, Anthony M.; Bednarcyk, Brett A.

    2010-01-01

    Enhanced finite elements are elements with an embedded analytical solution which can capture detailed local fields, enabling more efficient, mesh-independent finite element analysis. In the present study, an enhanced finite element is applied to generate a general framework capable of modeling an array of joint types. The joint field equations are derived using the principle of minimum potential energy, and the resulting solutions for the displacement fields are used to generate shape functions and a stiffness matrix for a single joint finite element. This single finite element thus captures the detailed stress and strain fields within the bonded joint, but it can function within a broader structural finite element model. The costs associated with a fine mesh of the joint can thus be avoided while still obtaining a detailed solution for the joint. Additionally, the capability to model non-linear adhesive constitutive behavior has been included within the method, and progressive failure of the adhesive can be modeled by using a strain-based failure criteria and re-sizing the joint as the adhesive fails. Results of the model compare favorably with experimental and finite element results.

  6. Evaluation of plasma treatment effects on improving adhesive/dentin bonding by using the same tooth controls and varying cross-sectional surface areas

    PubMed Central

    Dong, Xiaoqing; Ritts, Andy Charles; Staller, Corey; Yu, Qingsong; Chen, Meng; Wang, Yong

    2013-01-01

    The objective of this study is to evaluate and verify the effectiveness of plasma treatment for improving adhesive/dentin interfacial bonding by performing micro-tensile bond strength (μTBS) test using the same-tooth controls and varying cross-sectional surface areas. Extracted unerupted human third molars were used by removing the crowns to expose the dentin surface. For each dentin surface, one half of it was treated with a non-thermal argon plasma brush, while another half was shielded with glass slide and used as untreated control. Adper Single Bond Plus adhesive and Filtek Z250 dental composite were then applied as directed. The teeth thus prepared were further cut into micro-bar specimens with cross-sectional size of 1×1 mm2, 1×2 mm2 and 1×3 mm2 for μTBS test. The test results showed that plasma treated specimens gave substantially stronger adhesive/dentin bonding than their corresponding same tooth controls. As compared with their untreated controls, plasma treatment gave statistically significant higher bonding strength for specimens having cross-sectional area of 1×1 mm2 and 1×2 mm2, with mean increases of 30.8% and 45.1%, respectively. Interface examination using optical and electron microscopy verified that plasma treatment improved the quality of the adhesive/dentin interface by reducing defects/voids and increasing the resin tag length in dentin tubules. PMID:23841788

  7. Force spectroscopy of hyaluronan by atomic force microscopy: from hydrogen-bonded networks toward single-chain behavior.

    PubMed

    Giannotti, Marina I; Rinaudo, Marguerite; Vancso, G Julius

    2007-09-01

    The conformational behavior of hyaluronan (HA) polysaccharide chains in aqueous NaCl solution was characterized directly at the single-molecule level. This communication reports on one of the first single-chain atomic force microscopy (AFM) experiments performed at variable temperatures, investigating the influence of the temperature on the stability of the HA single-chain conformation. Through AFM single-molecule force spectroscopy, the temperature destabilization of a local structure was proven. This structure involved a hydrogen-bonded network along the polymeric chain, with hydrogen bonds between the polar groups of HA and possibly water, and a change from a nonrandom coil to a random coil behavior was observed when increasing the temperature from 29 +/- 1 to 46 +/- 1 degrees C. As a result of the applied force, this superstructure was found to break progressively at room temperature. The use of a hydrogen-bonding breaker solvent demonstrated the hydrogen-bonded water-bridged nature of the network structure of HA single chains in aqueous NaCl solution.

  8. Metal-Metal Single Bonds with the Magnetic Anisotropy of Quadruple Bonds: A Systematic Series of Heterobimetallic Bismuth(II)-Rhodium(II) Formamidinate Complexes.

    PubMed

    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.

  9. Characterization of single actomyosin rigor bonds: load dependence of lifetime and mechanical properties.

    PubMed Central

    Nishizaka, T; Seo, R; Tadakuma, H; Kinosita, K; Ishiwata, S

    2000-01-01

    Load dependence of the lifetime of the rigor bonds formed between a single myosin molecule (either heavy meromyosin, HMM, or myosin subfragment-1, S1) and actin filament was examined in the absence of nucleotide by pulling the barbed end of the actin filament with optical tweezers. For S1, the relationship between the lifetime (tau) and the externally imposed load (F) at absolute temperature T could be expressed as tau(F) = tau(0).exp(-F.d/k(B)T) with tau(0) of 67 s and an apparent interaction distance d of 2.4 nm (k(B) is the Boltzmann constant). The relationship for HMM was expressed by the sum of two exponentials, with two sets of tau(0) and d being, respectively, 62 s and 2.7 nm, and 950 s and 1.4 nm. The fast component of HMM coincides with tau(F) for S1, suggesting that the fast component corresponds to single-headed binding and the slow component to double-headed binding. These large interaction distances, which may be a common characteristic of motor proteins, are attributed to the geometry for applying an external load. The pulling experiment has also allowed direct estimation of the number of myosin molecules interacting with an actin filament. Actin filaments tethered to a single HMM molecule underwent extensive rotational Brownian motion, indicating a low torsional stiffness for HMM. From these results, we discuss the characteristics of interaction between actin and myosin, with the focus on the manner of binding of myosin. PMID:10920026

  10. Real-space imaging of molecular structure and chemical bonding by single-molecule inelastic tunneling probe.

    PubMed

    Chiang, Chi-lun; Xu, Chen; Han, Zhumin; Ho, W

    2014-05-23

    The arrangement of atoms and bonds in a molecule influences its physical and chemical properties. The scanning tunneling microscope can provide electronic and vibrational signatures of single molecules. However, these signatures do not relate simply to the molecular structure and bonding. We constructed an inelastic tunneling probe based on the scanning tunneling microscope to sense the local potential energy landscape of an adsorbed molecule with a carbon monoxide (CO)-terminated tip. The skeletal structure and bonding of the molecule are revealed from imaging the spatial variations of a CO vibration as the CO-terminated tip probes the core of the interactions between adjacent atoms. An application of the inelastic tunneling probe reveals the sharing of hydrogen atoms among multiple centers in intramolecular and extramolecular bonding.

  11. Visual Identification of Light-Driven Breakage of the Silver-Dithiocarbamate Bond by Single Plasmonic Nanoprobes

    PubMed Central

    Gao, Peng Fei; Yuan, Bin Fang; Gao, Ming Xuan; Li, Rong Sheng; Ma, Jun; Zou, Hong Yan; Li, Yuan Fang; Li, Ming; Huang, Cheng Zhi

    2015-01-01

    Insight into the nature of metal-sulfur bond, a meaningful one in life science, interface chemistry and organometallic chemistry, is interesting but challenging. By utilizing the localized surface plasmon resonance properties of silver nanoparticles, herein we visually identified the photosensitivity of silver-dithiocarbamate (Ag-DTC) bond by using dark field microscopic imaging (iDFM) technique at single nanoparticle level. It was found that the breakage of Ag-DTC bond could be accelerated effectively by light irradiation, followed by a pH-dependent horizontal or vertical degradation of the DTC molecules, in which an indispensable preoxidation process of the silver was at first disclosed. These findings suggest a visualization strategy at single plasmonic nanoparticle level which can be excellently applied to explore new stimulus-triggered reactions, and might also open a new way to understand traditional organic reaction mechanisms. PMID:26493773

  12. Effect of Dimethyl Sulfoxide on Bond Strength of a Self-Etch Primer and an Etch and Rinse Adhesive to Surface and Deep Dentin

    PubMed Central

    Sharafeddin, Farahnaz; Salehi, Raha; Feizi, Negar

    2016-01-01

    Statement of the Problem: Composite bond to dentin is crucial in many clinical conditions particularly in deep cavities without enamel margins due to insufficient penetration of adhesive into demineralized dentin. Purpose: The aim of this study was to assess the shear bond strength (SBS) of a methacrylate-based and a silorane-based composite resin to surface and deep dentin after pretreatment with dimethyl sulfoxide (DMSO). Materials and Method: Eighty extracted human premolars were randomly divided into two groups of flat occlusal dentin with different cuts as A: surface group (sections just below the dentinoenamel junction (DEJ) and B: deep group (2 mm below DEJ). Each group was randomly assigned to 4 subgroups and their samples were restored with Adper Single bond (ASB) and Filtek Z350 or Silorane system Adhesive (SA) and Filtek P90 composite resins, using a 3×3mm cylindrical plastic mold. following these steps , the subgroups were assigned as SubgroupA1: surface dentin+ Silorane System Primer (SSP)+ Silorane System Bonding (SSB)+ P90; Subgroup A2: surface dentin+ 37% etchant (E37%) + Adper Single Bond (ASB)+ Z350; Subgroup A3: surface dentin+ DMSO+ SSP+ SSB+ P90; Subgroup A4: surface dentin+ E37%+ DMSO+ ASB+ Z350; Subgroup B1: deep dentin+ SSP+ SSB+ P90; Subgroup B2: deep dentin+ E37%+ ASB+ Z350; Subgroup B3: deep dentin+ DMSO+ SSP+ SSB+ P90; Subgroup B4:dentin +E37% +DMSO +ASB +Z350. The specimens were thermocycled at 5± 2/55± 2°C for 1000 cycles and then tested for SBS. Results: Using DMSO as dentin conditioner increased SBS of ASB to deep dentin (p< 0.001) and SBS of SA to surface dentin (p= 0.003) but had no effect on SBS of SA to deep dentin (p= 1.00). Conclusion: The ability of DMSO to increase SBS of ASB to deep dentin provides a basis for improving bonding of this composite resin in deep cavities. PMID:27840836

  13. Kinetics of pulpal temperature rise during light curing of 6 bonding agents from different generations, using light emitting diode and quartz-tungsten-halogen units: An in-vitro simulation

    PubMed Central

    Khaksaran, Najmeh Khatoon; Kashi, Tahereh Jafarzadeh; Rakhshan, Vahid; Zeynolabedin, Zahra Sadat; Bagheri, Hossein

    2015-01-01

    Background: Application of bonding agents (BA) into deep cavities and light curing them might increase pulpal temperature and threaten its health. The purpose of this study was to evaluate temperature rise of pulp by light curing six BA using two different light curing units (LCU), through a dent in wall of 0.5 mm. Materials and Methods: This in vitro experiment was carried out on 96 slices of the same number of human third molars (6 BAs × 2 LCUs × 8 specimens in each group). There were 6 groups of BAs: N Bond, G-Bond, OptiBond XTR, Clearfil SE, Adper Single Bond 2 and V Bond. Each group of BA (n = 16) had two subgroups of light emitting diode (LED) and quartz-tungsten-halogen light cure units (n = 8). Each of these 16 specimens were subjected to light emitting for 20 s, once without any BAs (control) and later when a BA was applied to surface of disk. Temperature rises in 140 s were evaluated. Their mean temperature change in first 20 s were calculated and analyzed using two-way repeated-measures and one-way analysis of variance (ANOVA) and Tukey (α = 0.05). Furthermore rate of temperature increase was calculated for each material and LCU. Results: Minimum and maximum temperature rises in all subgroups were 1.7 and 2.8°C, respectively. Repeated measures ANOVA showed that both of adhesive and LCU types had significant effect on temperature rise after application of adhesives. Tukey post-hoc analysis showed Clearfil SE showed significantly higher temperature rise in comparison with Adper Single bond 2 (P = 0.047) and N Bond (P = 0.038). Temperature rose in a linear fashion during first 30-40 s and after that it was non-linear. Conclusion: 20 s of light curing seems safe for pulpal health (with critical threshold of 5.5°C). However, in longer durations and especially when using LED units, the process should be broken to two sessions. PMID:25878684

  14. 49 CFR Appendix A to Part 591 - Section 591.5(f) Bond for the Entry of a Single Vehicle

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 7 2012-10-01 2012-10-01 false Section 591.5(f) Bond for the Entry of a Single Vehicle A Appendix A to Part 591 Transportation Other Regulations Relating to Transportation (Continued... VEHICLES AND EQUIPMENT SUBJECT TO FEDERAL SAFETY, BUMPER AND THEFT PREVENTION STANDARDS Pt. 591, App....

  15. Synthesis and photophysical properties of a single bond linked tetracene dimer

    NASA Astrophysics Data System (ADS)

    Sun, Tingting; Shen, Li; Liu, Heyuan; Sun, Xuan; Li, Xiyou

    2016-07-01

    A tetracene dimer linked directly by a single bond has been successfully prepared by using electron withdrawing groups to improve the stability. The molecular structure of this dimer is characterized by 1H NMR, MALDI-TOF mass spectroscopy, and elemental analysis. The minimized molecular structure and X-ray crystallography reveal that the tetracene subunits of this dimer adopt an orthogonal configuration. Its absorption spectrum differs significantly from that of its monomeric counterpart, suggesting the presence of strong interactions between the two tetracene subunits. The excited state of this dimer is delocalized on both two tetracene subunits, which is significantly different from that of orthogonal anthracene dimers, but similar with that observed for orthogonal pentacene dimer. Most of the excited states of this dimer decay by radioactive channels, which is different from the localized twisted charge transfer state (LTCT) channel of anthracene dimers and the singlet fission (SF) channel of pentacene dimers. The results of this research suggest that similar orthogonal configurations caused different propertied for acene dimers with different conjugation length.

  16. New approach for designing single-chain magnets: organization of chains via hydrogen bonding between nucleobases.

    PubMed

    Zhang, Wei-Xiong; Shiga, Takuya; Miyasaka, Hitoshi; Yamashita, Masahiro

    2012-04-25

    Two one-dimensional (1D) manganese complexes, [Mn(2)(naphtmen)(2)(L)](ClO(4))·2Et(2)O·2MeOH·H(2)O (1) and [Mn(2)(naphtmen)(2)(HL)](ClO(4))(2)·MeOH (2), were synthesized by using a bridging ligand with a nucleobase moiety, 6-amino-9-β-carboxyethylpurine, and a salen-type manganese(III) dinuclear complex, [Mn(2)(naphtmen)(2)(H(2)O)(2)](ClO(4))(2) (naphtmen(2-) = N,N'-(1,1,2,2-tetramethylethylene)bis(naphthylideneiminato) dianion). In 1 and 2, the carboxylate-bridged Mn(III) dinuclear units are alternately linked by two kinds of weak Mn···O interactions into 1D chains. As a result, canted antiferromagnetic and ferromagnetic interactions are alternately present along the chains, leading to a 1D chain with non-cancellation of anisotropic spins. Since the chains connected via H-bonds between nucleobase moieties are magnetically isolated, both 1 and 2 act as single-chain magnets (SCMs). More importantly, this result shows the smaller canting angles hinder long-range ordering in favor of SCM dynamics.

  17. An Electrically Conductive Single-Component Donor-Acceptor-Donor Aggregate with Hydrogen-Bonding Lattice.

    PubMed

    Hayashi, Mikihiro; Otsubo, Kazuya; Maesato, Mitsuhiko; Komatsu, Tokutaro; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi

    2016-12-19

    An electrically conductive D-A-D aggregate composed of a single component was first constructed by use of a protonated bimetal dithiolate (complex 1H2). The crystal structure of complex 1H2 has one-dimensional (1-D) π-stacking columns where the D and A moieties are placed in a segregated-stacking manner. In addition, these segregated-stacking 1-D columns are stabilized by hydrogen bonds. The result of a theoretical band calculation suggests that a conduction pathway forms along these 1-D columns. The transport property of complex 1H2 is semiconducting (Ea = 0.29 eV, ρrt = 9.1 × 10(4) Ω cm) at ambient pressure; however, the resistivity becomes much lower upon applying high pressure up to 8.8 GPa (Ea = 0.13 eV, ρrt = 6.2 × 10 Ω cm at 8.8 GPa). The pressure dependence of structural and optical changes indicates that the enhancement of conductivity is attributed to not only an increase of π-π overlapping but also a unique pressure-induced intramolecular charge transfer from D to A moieties in this D-A-D aggregate.

  18. Influence of casein phosphopeptide-amorphous calcium phosphate application, smear layer removal, and storage time on resin-dentin bonding*

    PubMed Central

    Lin, Jun; Zheng, Wei-ying; Liu, Peng-ruo-feng; Zhang, Ning; Lin, Hui-ping; Fan, Yi-jing; Gu, Xin-hua; Vollrath, Oliver; Mehl, Christian

    2014-01-01

    The aim of this study is to evaluate the influence of Tooth Mousse (TM) application, smear layer removal, and storage time on resin-dentin microtensile bond strength (μTBS). Dentin specimens were divided into two groups: (1) smear layer covered; (2) smear layer removed using 15% EDTA for 90 s. In each group, half the specimens were treated once with TM for 60 min. After bonding procedures using a two-step self-etching adhesive (Clearfil SE Bond (CSE); Kuraray Medical, Tokyo, Japan), an all-in-one adhesive (G-Bond (GB); GC Corp, Tokyo, Japan), and a total-etch adhesive (Adper Single Bond 2 (SB); 3M ESPE, St. Paul, MN, USA), the specimens were stored for 3 d or 6 months in deionized water at 37 °C, and μTBS was tested and analyzed. With the exception of SB (no TM application) and GB, the μTBS was significantly increased for CSE and SB using EDTA pre-conditioning and 3 d of storage (P≤0.001). Bond strength of GB decreased significantly when using EDTA (3 d storage, P<0.05). TM application only increased the μTBS of GB (no EDTA) and SB (with EDTA) after 3 d (P≤0.02). Comparing the adhesives after 3 d of storage, CSE exhibited the greatest μTBS values followed by GB and SB (P≤0.02). The factors of adhesive, EDTA, and TM did not show any significant impact on μTBS when specimens were stored for 6 months (P>0.05). The additional application of TM and EDTA for cavity preparation seems only to have a short-term effect, and no influence on μTBS of dentin bonds after a period of 6 months. PMID:25001224

  19. THE PROTOTYPE ALUMINUM - CARBON SINGLE, DOUBLE, AND TRIPLE BONDS: Al - CH3, Al = CH2, AND Al. = CH

    SciTech Connect

    Fox, Douglas J.; Ray, Douglas; Rubesin, Philip C.; Schaefer III, Henry F.

    1980-06-01

    Nonempirical quantum mechanical methods have been used to investigate the A{ell}CH{sub 3}, A{ell}CH{sub 2}, and A{ell}CH molecules, which may be considered to represent the simplest aluminum-carbon single, double, and triple bonds. Equilibrium geometries and vibrational frequencies were determined at the self-consistent-field level of theory using double zeta basis set: A{ell}(11s7p/6s4p), C(9s5p/4s2p), H(4s/2s). The {sup 1}A{sub 1} ground state of A{ell}CH{sub 3} has a reasonably conventional A{ell}-C single bond of length 2.013 {angstrom}, compared to 1.96 {angstrom} in the known molecule A{ell}(CH{sub 3}){sub 3}. The CH equilibrium distance is 1.093 {angstrom} and the A{ell}-C-H angle 111.9{sup o}. The structures of three electron states each of A{ell}CH{sub 2} and A{ell}CH were similarly predicted, The interesting result is that the ground state of A{ell}CH{sub 2} does not contain an A{ell}-C double bond, and the ground state of A{ell}CH is not characterized by an A{ell}{triple_bond}C bond. The multiply-bonded electronic states do exist but they lie 21 kcal (A{ell}CH{sub 2}) and 86 kcal (A{ell}CH) above the respective ground states. The dissociation energies of the three ground electronic states are predicted to be 68 kcal (A{ell}CH{sub 3}), 77 kcal (A{ell}CH{sub 2}), and 88 kcal (A{ell}CH), Vibrational frequencies are also predicted for the three molecules, and their electronic structures are discussed with reference to Mulliken populations and dipole moments.

  20. Global-Local Finite Element Analysis of Bonded Single-Lap Joints

    NASA Technical Reports Server (NTRS)

    Kilic, Bahattin; Madenci, Erdogan; Ambur, Damodar R.

    2004-01-01

    Adhesively bonded lap joints involve dissimilar material junctions and sharp changes in geometry, possibly leading to premature failure. Although the finite element method is well suited to model the bonded lap joints, traditional finite elements are incapable of correctly resolving the stress state at junctions of dissimilar materials because of the unbounded nature of the stresses. In order to facilitate the use of bonded lap joints in future structures, this study presents a finite element technique utilizing a global (special) element coupled with traditional elements. The global element includes the singular behavior at the junction of dissimilar materials with or without traction-free surfaces.

  1. Effect of a functional monomer (MDP) on the enamel bond durability of single-step self-etch adhesives.

    PubMed

    Tsuchiya, Kenji; Takamizawa, Toshiki; Barkmeier, Wayne W; Tsubota, Keishi; Tsujimoto, Akimasa; Berry, Thomas P; Erickson, Robert L; Latta, Mark A; Miyazaki, Masashi

    2016-02-01

    The present study aimed to determine the effect of the functional monomer, 10-methacryloxydecyl dihydrogen phosphate (MDP), on the enamel bond durability of single-step self-etch adhesives through integrating fatigue testing and long-term water storage. An MDP-containing self-etch adhesive, Clearfil Bond SE ONE (SE), and an experimental adhesive, MDP-free (MF), which comprised the same ingredients as SE apart from MDP, were used. Shear bond strength (SBS) and shear fatigue strength (SFS) were measured with or without phosphoric acid pre-etching. The specimens were stored in distilled water for 24 h, 6 months, or 1 yr. Although similar SBS and SFS values were obtained for SE with pre-etching and for MF after 24 h of storage in distilled water, SE with pre-etching showed higher SBS and SFS values than MF after storage in water for 6 months or 1 yr. Regardless of the pre-etching procedure, SE showed higher SBS and SFS values after 6 months of storage in distilled water than after 24 h or 1 yr. To conclude, MDP might play an important role in enhancing not only bond strength but also bond durability with respect to repeated subcritical loading after long-term water storage.

  2. Single tooth replacement using a ceramic resin bonded fixed partial denture: A case report

    PubMed Central

    Kara, Haluk Baris; Aykent, Filiz

    2012-01-01

    This article describes the use of an all ceramic resin-bonded fixed partial denture as a conservative solution for the replacement of an incisor. It is a minimally invasive technique that does not discolor the abutment teeth. PMID:22229014

  3. Thorium–phosphorus triamidoamine complexes containing Th–P single- and multiple-bond interactions

    PubMed Central

    Wildman, Elizabeth P.; Balázs, Gábor; Wooles, Ashley J.; Scheer, Manfred; Liddle, Stephen T.

    2016-01-01

    Despite the burgeoning field of uranium-ligand multiple bonds, analogous complexes involving other actinides remain scarce. For thorium, under ambient conditions only a few multiple bonds to carbon, nitrogen, oxygen, sulfur, selenium and tellurium are reported, and no multiple bonds to phosphorus are known, reflecting a general paucity of synthetic methodologies and also problems associated with stabilising these linkages at the large thorium ion. Here we report structurally authenticated examples of a parent thorium(IV)–phosphanide (Th–PH2), a terminal thorium(IV)–phosphinidene (Th=PH), a parent dithorium(IV)–phosphinidiide (Th–P(H)-Th) and a discrete actinide–phosphido complex under ambient conditions (Th=P=Th). Although thorium is traditionally considered to have dominant 6d-orbital contributions to its bonding, contrasting to majority 5f-orbital character for uranium, computational analyses suggests that the bonding of thorium can be more nuanced, in terms of 5f- versus 6d-orbital composition and also significant involvement of the 7s-orbital and how this affects the balance of 5f- versus 6d-orbital bonding character. PMID:27682617

  4. Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions

    NASA Astrophysics Data System (ADS)

    Wildman, Elizabeth P.; Balázs, Gábor; Wooles, Ashley J.; Scheer, Manfred; Liddle, Stephen T.

    2016-09-01

    Despite the burgeoning field of uranium-ligand multiple bonds, analogous complexes involving other actinides remain scarce. For thorium, under ambient conditions only a few multiple bonds to carbon, nitrogen, oxygen, sulfur, selenium and tellurium are reported, and no multiple bonds to phosphorus are known, reflecting a general paucity of synthetic methodologies and also problems associated with stabilising these linkages at the large thorium ion. Here we report structurally authenticated examples of a parent thorium(IV)-phosphanide (Th-PH2), a terminal thorium(IV)-phosphinidene (Th=PH), a parent dithorium(IV)-phosphinidiide (Th-P(H)-Th) and a discrete actinide-phosphido complex under ambient conditions (Th=P=Th). Although thorium is traditionally considered to have dominant 6d-orbital contributions to its bonding, contrasting to majority 5f-orbital character for uranium, computational analyses suggests that the bonding of thorium can be more nuanced, in terms of 5f- versus 6d-orbital composition and also significant involvement of the 7s-orbital and how this affects the balance of 5f- versus 6d-orbital bonding character.

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

    PubMed Central

    CASAS-APAYCO, Leslie Caroll; DREIBI, Vanessa Manzini; HIPÓLITO, Ana Carolina; GRAEFF, Márcia Sirlene Zardin; RIOS, Daniela; MAGALHÃES, Ana Carolina; BUZALAF, Marília Afonso Rabelo; WANG, Linda

    2014-01-01

    Objective This study aimed to assess the impact of in vitro erosion provoked by different cola-based drinks (Coke types), associated or not with toothbrushing, to bonding to enamel. Material and Methods Fifty-six bovine enamel specimens were prepared and randomly assigned into seven groups (N=8): C- Control (neither eroded nor abraded), ERO-RC: 3x/1-minute immersion in Regular Coke (RC), ERO-LC: 3x/1-minute immersion in Light Coke (LC), ERO-ZC: 3x/1-minute immersion in Zero Coke (ZC) and three other eroded groups, subsequently abraded for 1-minute toothbrushing (EROAB-RC, EROAB-LC and EROAB-ZC, respectively). After challenges, they were stored overnight in artificial saliva for a total of 24 hours and restored with Adper Single Bond 2/Filtek Z350. Buildup coronal surfaces were cut in 1 mm2 -specimens and subjected to a microtensile test. Data were statistically analyzed by two-way ANOVA/Bonferroni tests (α=0.05). Failure modes were assessed by optical microscopy (X40). The interface of the restorations were observed using Confocal Laser Scanning Microscopy (CLSM). Results All tested cola-based drinks significantly reduced the bond strength, which was also observed in the analyses of interfaces. Toothbrushing did not have any impact on the bond strength. CLSM showed that except for Zero Coke, all eroded specimens resulted in irregular hybrid layer formation. Conclusions All cola-based drinks reduced the bond strength. Different patterns of hybrid layers were obtained revealing their impact, except for ZC. PMID:24918663

  6. Can green tea be used to reverse compromised bond strength after bleaching?

    PubMed

    Berger, Sandrine B; De Souza Carreira, Renata P; Guiraldo, Ricardo D; Lopes, Murilo B; Pavan, Sabrina; Giannini, Marcelo; Bedran-Russo, Ana K

    2013-08-01

    The objective of this study was to evaluate the antioxidant effect of green tea on microtensile bond strength (μTBS) to bleached enamel. Forty-two human third molars were randomly divided into six experimental groups (n = 7 each group): group 1, no treatment; group 2, bleaching (10% carbamide peroxide); group 3, bleaching + 10% sodium ascorbate gel (SA); group 4, bleaching + 10% green tea gel (GT); group 5, SA; and group 6, GT. In groups 2, 3, and 4, bleach was applied onto the enamel surface for 6 h, every day for 14 d. In groups 3 and 5, SA was applied for 1 h; and in groups 4 and 6, GT was applied for 1 h. Immediately after treatment, the specimens were bonded with Adper Single Bond 2 and Filtek Z350 XT. The μTBS of the specimens was tested using a universal testing machine. Fracture mode analysis of the bonded enamel surface was performed using scanning electron microscopy. The mean μTBS values for each group were: group 1, 33.2 ± 5.8 MPa; group 2, 22.6 ± 5.5 MPa; group 3, 30.0 ± 5.2 MPa; group 4, 31.6 ± 3.8 MPa; group 5, 29.1 ± 4.2 MPa; and group 6, 32.2 ± 4.5 MPa. All groups had a higher percentage of mixed failures. In conclusion, green tea can be used as an alternative antioxidant on bleached enamel before bonding procedures.

  7. Geiger mode theoretical study of a wafer-bonded Ge on Si single-photon avalanche photodiode

    NASA Astrophysics Data System (ADS)

    Ke, Shaoying; Lin, Shaoming; Wei, Huang; Wang, Jianyuan; cheng, Buwen; Liang, Kun; Li, Cheng; Chen, Songyan

    2017-02-01

    The investigation of the single-photon properties of a wafer-bonded Ge/Si single-photon avalanche photodiode (SPAD) is theoretically conducted. We focus on the effect of the natural GeO2 layer (hydrophilic reaction) at the Ge/Si wafer-bonded interface on dark count characteristics and single-photon response. It is found that the wafer-bonded Ge/Si SPAD exhibits very low dark current at 250 K due to the absence of threading dislocation (TD) in the Ge layer. Owing to the increase of the unit-gain bias applied on the SPAD, the primary dark current (I DM) increases with the increase in GeO2 thickness. Furthermore, the dependence of the linear-mode gain and 3 dB bandwidth (BW) for the dark count on GeO2 thickness is also presented. It is observed that the dark count probability of the Ge/Si SPAD significantly increases with the increase in GeO2 thickness due to the increase of the I DM and the reduction of the 3 dB BW. It is also found that with the increase in GeO2 thickness, the external quantum efficiency, which affects the single-photon detection efficiency (SPDE), drastically decreases because of the blocking effect of the GeO2 layer and the serious recombination at the wafer-bonded Ge/Si interface. The afterpulsing probability (AP) shows an abnormal behavior with GeO2 thickness. This results from the decrease in avalanche charge and increase in effective transit time.

  8. The effect of hydrogen bonds on diffusion mechanism of water inside single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Chen, Qu; Wang, Qi; Liu, Ying-Chun; Wu, Tao

    2014-06-01

    Nanopores can serve as a molecule channel for transport of fluid, where water diffusion differs remarkably from that of simple particles. Hydrogen bonds play an essential role in the diffusion anomaly. Detailed investigations are carried out on the systems of rigid (6, 6), (7, 7), (8, 8), (9, 9), and (10, 10) armchair carbon nanotubes, solvated with Lennard-Jones water fluids. The role of hydrogen bonds is examined by diffusivity statistics and animation snapshots. It is found that in small (6,6) CNT, hydrogen bonds tend to aggregate water into a wire and lead to rapid collective drift. Confinement can stabilize the hydrogen bond of water molecules and enhance its lifetime. In relatively smaller CNTs, the diffusion mechanism could be altered by the temperature. Moreover, in larger nanotubes hydrogen bonding network allows the water to form regional concentrated clusters. This allows water fluid in extremely low density exhibit rather slow self-diffusion motion. This fundamental study attempts to provide insights in understanding nanoscale delivery system in aqueous solution.

  9. Realization of direct bonding of single crystal diamond and Si substrates

    NASA Astrophysics Data System (ADS)

    Liang, Jianbo; Masuya, Satoshi; Kasu, Makoto; Shigekawa, Naoteru

    2017-03-01

    Diamond/Si junctions have been achieved by surface activated bonding method without any chemical and heating treatments. Bonded interfaces were obtained that were free from voids and mechanical cracks. Observations by using transmission electron microscopy indicated that an amorphous layer with a thickness of ˜20 nm across the bonded interface was formed, and no structural defects were observed at the interface. The amorphous layer of the diamond side was confirmed to be the mixture of sp2 and sp3 carbons by electron energy loss spectroscopy analyzation. The sp3/(sp2 + sp3) ratio estimated from the X-ray photoemission spectra decreased from 53.8% to 27.5%, while the relative intensity of sp2 increased from 26.8% to 72.5% after the irradiation with Ar fast beam which should be predominantly attributable to the diamond-graphite conversion.

  10. A density functional theory for association of fluid molecules with a functionalized surface: fluid-wall single and double bonding

    NASA Astrophysics Data System (ADS)

    Haghmoradi, Amin; Wang, Le; Chapman, Walter G.

    2017-02-01

    In this manuscript we extend Wertheim’s two-density formalism beyond its first order to model a system of fluid molecules with a single association site close to a planar hard wall with association sites on its surface in a density functional theory framework. The association sites of the fluid molecules are small enough that they can form only one bond, while the wall association sites are large enough to bond with more than one fluid molecule. The effects of temperature and of bulk fluid and wall site densities on the fluid density profile, extent of association, and competition between single and double bonding of fluid segments at the wall sites versus distance from the wall are presented. The theory predictions are compared with new Monte Carlo simulation results and they are in good agreement. The theory captures the surface coverage over wide ranges of temperature and bulk density by introducing the effect of steric hindrance in fluid association at a wall site.

  11. Influence of additional adhesive application on the microtensile bond strength of adhesive systems.

    PubMed

    de Silva, André Luís Faria; Lima, Débora Alves Nunes Leite; de Souza, Grace Mendonça Dias; dos Santos, Carlos Tadeu Dias; Paulillo, Luís Alexandre Maffei Sartini

    2006-01-01

    This study evaluated microtensile bond strength (pTBS) when an additional adhesive layer was applied to the dentin surface. Thirty-five human third molars were flattened to expose the occlusal dentin surface. The teeth were randomly assigned to 7 experimental groups: G1-Single Bond (SB); G2-additional layer of SB; G3--a layer of Scotchbond Multi-purpose (SMP) adhesive applied over SB; G4-Clearfil SE Bond (CE); G5-additional layer of CE; G6-Adper Prompt (AP) and G7-additional layer of AP. For the G2, G3, G5 and G7 groups, the first adhesive layer was light-cured before application of the additional layer. After bonding procedures, 5-mm high composite crowns were incrementally built up. The samples were sectioned to obtain 0.9 x 0.9 beams, which were tested under tension at a crosshead speed of 0.5-mm/minute until failure. The failure mode and adhesive thickness were evaluated under SEM. The pTBS data were analyzed by 1-way ANOVA and post-hoc Ducan's Test (a=0.05). Mean adhesive thickness was analyzed by 1-way ANOVA and post-hoc Tukey's test (a=0.05). The results indicated that G3 presented the highest microTBS and the thickest adhesive layer. G6 and G7 presented the lowest microTBS values. When solvent-free adhesives systems were used, microTBS values were not affected by the thicker layer.

  12. Casein Phosphopeptide-Amorphous Calcium Phosphate and Shear Bond Strength of Adhesives to Primary Teeth Enamel

    PubMed Central

    Farokh Gisovar, Elham; Hedayati, Nassim; Shadman, Niloofar; Shafiee, Leila

    2015-01-01

    Background: CPP-ACP (Phosphopeptide-Amorphous Calcium Phosphate) has an important role in caries prevention in pediatric patients. This study was done, because of the great use of CPP-ACP and the need for restoration for teeth treated with CPP-ACP as well as the importance of shear bond strength of adhesives in the success of restorations. Objectives: This study aimed to evaluate the effect of casein phosphopeptide-amorphous calcium phosphate (CPP-ACP) on shear bond strength of dental adhesives to enamel of primary teeth molars. Materials and Methods: This in vitro study was conducted on 180 extracted primary molars. They were randomly divided into 6 groups and each group was divided into 2 subgroups (treated with CPP-ACP and untreated). In subgroups with CPP-ACP, enamel was treated with CPP-ACP paste 1 h/d for 5 days. Types of adhesives that were evaluated in this study were Tetric N-Bond, AdheSE, AdheSE One F, single Bond 2, SE Bond, and Adper Prompt L-Pop. Shear bond strength was tested with a universal testing machine and mode of failure was evaluated under stereomicroscope. Data were analyzed by T test, 2-way analysis of variance (ANOVA), Tukey and Fisher exact test using SPSS18. P < 0.05 was considered as significance level. Results: Shear bond strengths of different adhesive systems to enamel of primary teeth treated and untreated with CPP-ACP showed no significant difference (P > 0.05). Mode of failure in all groups regardless of CPP-ACP administration was mainly adhesive type. Our results indicated that CPP-ACP did not affect shear bond strength of studied adhesives to primary teeth enamel. Conclusions: To have a successful and durable composite restoration, having a high strength bonding is essential. Considering the wide use of CPP-ACP in preventing tooth decay and the role of adhesive shear bond strength (SBS) in success of composite restoration, we conducted the present study to evaluate the effect of CPP-ACP on the SBS of adhesives to primary teeth

  13. Predicting bond strength from a single Hartree-Fock ground state using the localized pair model.

    PubMed

    Hennessey, Dylan C; Sheppard, Brendan J H; Mackenzie, Dalton E C K; Pearson, Jason K

    2014-12-14

    We present an application of the recently introduced Localized Pair Model (LPM) [Z. A. Zielinksi and J. K. Pearson, Comput. Theor. Chem., 2013, 1003, 7990] to characterize and quantify properties of the chemical bond in a series of substituted benzoic acid molecules. By computing interelectronic distribution functions for doubly-occupied Edmiston-Ruedenberg localized molecular orbitals (LMOs), we show that chemically intuitive electron pairs may be uniquely classified and bond strength may be predicted with remarkable accuracy. Specifically, the HF/u6-311G(d,p) level (where u denotes a complete uncontraction of the basis set) is used to generate the relevant LMOs and their respective interelectronic distribution functions can be linearly correlated to the well-known Hammett σp or σm parameters with near-unity correlation coefficients.

  14. Single-cluster algorithm for the site-bond-correlated Ising model

    NASA Astrophysics Data System (ADS)

    Campos, P. R. A.; Onody, R. N.

    1997-12-01

    We extend the Wolff algorithm to include correlated spin interactions in diluted magnetic systems. This algorithm is applied to study the site-bond-correlated Ising model on a two-dimensional square lattice. We use a finite-size scaling procedure to obtain the phase diagram in the temperature-concentration space. We also have verified that the autocorrelation time diminishes in the presence of dilution and correlation, showing that the Wolff algorithm performs even better in such situations.

  15. Contrasting the individual reactive pathways in protein unfolding and disulfide bond reduction observed within a single protein.

    PubMed

    Garcia-Manyes, Sergi; Kuo, Tzu-Ling; Fernández, Julio M

    2011-03-09

    Identifying the dynamics of individual molecules along their reactive pathways remains a major goal of modern chemistry. For simple chemical reactions, the transition state position is thought to be highly localized. Conversely, in the case of more complex reactions involving proteins, the potential energy surfaces become rougher, resulting in heterogeneous reaction pathways with multiple transition state structures. Force-clamp spectroscopy experimentally probes the individual reaction pathways sampled by a single protein under the effect of a constant stretching force. Herein, we examine the distribution of conformations that populate the transition state of two different reactions; the unfolding of a single protein and the reduction of a single disulfide bond, both occurring within the same single protein. By applying the recently developed static disorder theory, we quantify the variance of the barrier heights, σ(2), governing each distinct reaction. We demonstrate that the unfolding of the I27 protein follows a nonexponential kinetics, consistent with a high value of σ(2) ∼ 18 (pN nm)(2). Interestingly, shortening of the protein upon introduction of a rigid disulfide bond significantly modulates the disorder degree, spanning from σ(2) ∼ 8 to ∼21 (pN nm)(2). These results are in sharp contrast with the exponential distribution of times measured for an S(N)2 chemical reaction, implying the absence of static disorder σ(2) ∼ 0 (pN nm)(2). Our results demonstrate the high sensitivity of the force-clamp technique to capture the signatures of disorder in the individual pathways that define two distinct force-induced reactions, occurring within the core of a single protein.

  16. Chemical Bonds II

    ERIC Educational Resources Information Center

    Sanderson, R. T.

    1972-01-01

    The continuation of a paper discussing chemical bonding from a bond energy viewpoint, with a number of examples of single and multiple bonds. (Part I appeared in volume 1 number 3, pages 16-23, February 1972.) (AL)

  17. A Tale of Copper Coordination Frameworks: Controlled Single-Crystal-to-Single-Crystal Transformations and Their Catalytic C-H Bond Activation Properties.

    PubMed

    Chen, Yifa; Feng, Xiao; Huang, Xianqiang; Lin, Zhengguo; Pei, Xiaokun; Li, Siqing; Li, Jikun; Wang, Shan; Li, Rui; Wang, Bo

    2015-09-28

    Metal-organic frameworks (MOFs), as a class of microporous materials with well-defined channels and rich functionalities, hold great promise for various applications. Yet the formation and crystallization processes of various MOFs with distinct topology, connectivity, and properties remain largely unclear, and the control of such processes is rather challenging. Starting from a 0D Cu coordination polyhedron, MOP-1, we successfully unfolded it to give a new 1D-MOF by a single-crystal-to-single-crystal (SCSC) transformation process at room temperature as confirmed by SXRD. We also monitored the continuous transformation states by FTIR and PXRD. Cu MOFs with 2D and 3D networks were also obtained from this 1D-MOF by SCSC transformations. Furthermore, Cu MOFs with 0D, 1D, and 3D networks, MOP-1, 1D-MOF, and HKUST-1, show unique performances in the kinetics of the C-H bond catalytic oxidation reaction.

  18. Molecular single-bond covalent radii for elements 1-118.

    PubMed

    Pyykkö, Pekka; Atsumi, Michiko

    2009-01-01

    A self-consistent system of additive covalent radii, R(AB)=r(A) + r(B), is set up for the entire periodic table, Groups 1-18, Z=1-118. The primary bond lengths, R, are taken from experimental or theoretical data corresponding to chosen group valencies. All r(E) values are obtained from the same fit. Both E-E, E-H, and E-CH(3) data are incorporated for most elements, E. Many E-E' data inside the same group are included. For the late main groups, the system is close to that of Pauling. For other elements it is close to the methyl-based one of Suresh and Koga [J. Phys. Chem. A 2001, 105, 5940] and its predecessors. For the diatomic alkalis MM' and halides XX', separate fits give a very high accuracy. These primary data are then absorbed with the rest. The most notable exclusion are the transition-metal halides and chalcogenides which are regarded as partial multiple bonds. Other anomalies include H(2) and F(2). The standard deviation for the 410 included data points is 2.8 pm.

  19. Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective.

    PubMed

    Singh, Vijay; Major, Dan Thomas

    2016-04-04

    The mixed valence cobalt oxide, Co3O4, is a potential candidate as a photovoltaic (PV) material, which also exhibits intriguing chemical and catalytic properties. Here, we present a comparative study of the electronic, magnetic, and chemical bonding properties of mixed valence Co3O4 (i.e., Co(2+/3+)) with the related single valence CoO (i.e., Co(2+)) and Co2O3 (i.e., Co(3+)) oxides using density functional theory (DFT). We have employed a range of theoretical methods, including pure DFT, DFT+U, and a range-separated exchange-correlation functional (HSE06). We compare the electronic structure and band gap of the oxide materials, with available photoemission spectroscopy and optical band gaps. Our calculations suggest that the bonding between Co(3+) and O(2-) ions in Co2O3 and Co3O4 and Co(2+) and O(2-) ions in CoO and Co3O4 are rather different. We find that Co2O3 and Co3O4 are weakly correlated materials, whereas CoO is a strongly correlated material. Furthermore, our computed one-electron energy level diagrams reveal that strong Co-O antibonding states are present at the top of the valence band for all the cobalt oxides, hinting at a defect tolerant capacity in these materials. These results, which give a detailed picture of the chemical bonding in related single and mixed valence cobalt oxides, may serve as a guide to enhance the PV or photoelectrochemical activity of Co3O4, by reducing its internal defect states or changing its electronic structure by doping or alloying with suitable elements.

  20. High-output-power, single-wavelength silicon hybrid laser using precise flip-chip bonding technology.

    PubMed

    Tanaka, Shinsuke; Jeong, Seok-Hwan; Sekiguchi, Shigeaki; Kurahashi, Teruo; Tanaka, Yu; Morito, Ken

    2012-12-17

    An Si/III-V hybrid laser oscillating at a single wavelength was developed for use in a large-scale Si optical I/O chip. The laser had an InP-based reflective semiconductor optical amplifier (SOA) chip integrated with an Si wavelength-selection-mirror chip in a flip-chip configuration. A low coupling loss of 1.55 dB at the Si-SOA interface was accomplished by both mode-field-matching between Si-SOA waveguides and accurately controlling the bonding position. The fabricated Si hybrid laser exhibited a very low threshold current of 9.4 mA, a high output power of 15.0 mW, and a high wall-plug efficiency of 7.6% at 20 °C. Moreover, the device maintained a high output power of >10 mW up to 60°C due to the high thermal conductance between the SOA chip and Si substrate. The short cavity length of the flip-chip bonded laser expanded the longitudinal mode spacing. This resulted in temperature-stable single longitudinal mode lasing and a low RIN level of <-130 dB/Hz.

  1. Solid-State (17)O NMR of Oxygen-Nitrogen Singly Bonded Compounds: Hydroxylammonium Chloride and Sodium Trioxodinitrate (Angeli's Salt).

    PubMed

    Lu, Jiasheng; Kong, Xianqi; Terskikh, Victor; Wu, Gang

    2015-07-23

    We report a solid-state NMR study of (17)O-labeled hydroxylammonium chloride ([H(17)O-NH3]Cl) and sodium trioxodinitrate monohydrate (Na2[(17)ONNO2]·H2O, Angeli's salt). The common feature in these two compounds is that they both contain oxygen atoms that are singly bonded to nitrogen. For this class of oxygen-containing functional groups, there is very limited solid-state (17)O NMR data in the literature. In this work, we experimentally measured the (17)O chemical shift and quadrupolar coupling tensors. With the aid of plane-wave DFT computation, the (17)O NMR tensor orientations were determined in the molecular frame of reference. We found that the characteristic feature of an O-N single bond is that the (17)O nucleus exhibits a large quadrupolar coupling constant (13-15 MHz) but a rather small chemical shift anisotropy (100-250 ppm), in sharp contrast with the nitroso (O═N) functional group for which both quantities are very large (e.g., 16 MHz and 3000 ppm, respectively).

  2. Theoretical study of the formation of naphthalene from the radical/π-bond addition between single-ring aromatic hydrocarbons.

    PubMed

    Comandini, Andrea; Brezinsky, Kenneth

    2011-06-09

    The experimental investigations performed in the 1960s on the o-benzyne + benzene reaction as well as the more recent studies on reactions involving π-electrons highlight the importance of π-bonding for different combustion processes related to PAH's and soot formation. In the present investigation radical/π-bond addition reactions between single-ring aromatic compounds have been proposed and computationally investigated as possible pathways for the formation of two-ring fused compounds, such as naphthalene, which serve as precursors to soot formation. The computationally generated optimized structures for the stationary points were obtained with uB3LYP/6-311+G(d,p) calculations, while the energies of the optimized complexes were refined using the uCCSD(T) method and the cc-pVDZ basis set. The computations have addressed the relevance of a number of radical/π-bond addition reactions including the singlet benzene + o-benzyne reaction, which leads to formation of naphthalene and acetylene through fragmentation of the benzobicyclo[2,2,2]octatriene intermediate. For this reaction, the high-pressure limit rate constants for the individual elementary reactions involved in the overall process were evaluated using transition state theory analysis. Other radical/π-bond addition reactions studied were between benzene and triplet o-benzyne, between benzene and phenyl radical, and between phenyl radicals, for all of which potential energy surfaces were produced. On the basis of the results of these reaction studies, it was found necessary to propose and subsequently confirm additional, alternative pathways for the formation of the types of PAH compounds found in combustion systems. The potential energy surface for one reaction in particular, the phenyl + phenyl addition, is shown to contain a low-energy channel leading to formation of naphthalene that is energetically comparable to the other examined conventional pathways leading to formation of biphenyl compounds. This

  3. Monitoring selected hydrogen bonds in crystal hydrates of amino acid salts: combining variable-temperature single-crystal X-ray diffraction and polarized Raman spectroscopy.

    PubMed

    Zakharov, Boris A; Kolesov, Boris A; Boldyreva, Elena V

    2011-07-28

    Predicting behaviour of hydrogen bonds with varying temperature, in particular-correlating donor-acceptor distances in the O-H···O hydrogen bonds with the frequencies of O-H stretching vibrations is important for understanding dynamics of biomolecules and phase transitions in crystals. A commonly used correlation suggested earlier in the literature is based on statistical analysis of different compounds [A. Novak, Structure and Bonding, 1974, 18, 177; K. Nakamoto, M. Margoshes, R. E. Rundle, J. Am. Chem. Soc., 1955, 77, 6480]. The present study is a rare example when correlations between geometry and energy parameters have been found for selected individual hydrogen bonds in the same crystalline compound at multiple temperatures. The properties of several types of O-H···O hydrogen bonds in bis(DL-serinium) oxalate dihydrate and DL-alaninium semi-oxalate monohydrate have been studied by a combination of variable-temperature single-crystal X-ray diffraction and polarized Raman spectroscopy. The changes in the hydrogen bonds geometry could be compared with the changes of the corresponding spectral modes. The correlation suggested by Novak is roughly followed, better for medium and weak, than for short hydrogen bonds. Fine details of spectral changes differ for individual bonds. The way how H-bonds are affected by cooling depends on their environment in the crystal structure. Short O-H···O hydrogen bonds in bis(DL-serinium) oxalate dihydrate expand or remain almost unchanged on cooling, whereas in DL-alaninium semi-oxalate monohydrate all strong H-bonds are compressed under these conditions. The distortion of individual hydrogen bonds on temperature variations is correlated with the anisotropy of lattice strain.

  4. Shear bond strength of seventh generation bonding agents on dentin of primary teeth--an in vitro study.

    PubMed

    Gonzalez, Geoffrey; Rich, Alfred P; Finkelman, Matthew D; Defuria, Catherine

    2012-01-01

    This controlled, randomized, in vitro study evaluated the shear bond strength of several seventh generation bonding agents on the dentin of primary teeth. Six different adhesives were used: Xeno IV, Clearfil S3 Bond, Adper Prompt-L-Pop, AdheSE One, Bond Force, and Optibond (control). Ninety primary teeth were prepared by wet grinding with a 320-grit silicon carbide paper on a polishing wheel running at 110 RPM. After 24 hours of storage in water, shear bond strengths of each group were determined. The mean shear bond strength of the tested adhesive systems to primary dentin was 12.27 MPa. One-way ANOVA testing showed a statistically significant difference between adhesive products (P < 0.001). Tukey HSD post hoc tests were used to assess which means were significantly different from one another. There was no statistically significant difference between the fifth generation adhesive system (Optibond) and the two seventh generation systems (Xeno IV and Bond Force), with Optibond exhibiting a lower mean shear bond strength compared to Bond Force. Within the limitations of this study, there is a significant difference between seventh generation bonding materials. Bond Force and Optibond appear to exhibit higher shear bond strengths than the other products.

  5. Single-cycle and fatigue strengths of adhesively bonded lap joints

    SciTech Connect

    Metzinger, K.E.; Guess, T.R.

    1998-12-31

    This study considers a composite-to-steel tubular lap joint in which failure typically occurs when the adhesive debonds from the steel adherend. The same basic joint was subjected to compressive and tensile axial loads (single-cycle) as well as bending loads (fatigue). The purpose of these tests was to determine whether failure is more dependent on the plastic strain or the peel stress that develops in the adhesive. For the same joint, compressive and tensile loads of the same magnitude will produce similar plastic strains but peel stresses of opposite signs in the adhesive. In the axial tests, the tensile strengths were much greater than the compressive strengths - indicating that the peel stress is key to predicting the single-cycle strengths. To determine the key parameter(s) for predicting high-cycle fatigue strengths, a test technique capable of subjecting a specimen to several million cycles per day was developed. In these bending tests, the initial adhesive debonding always occurred on the compressive side. This result is consistent with the single-cycle tests, although not as conclusive due to the limited number of tests. Nevertheless, a fatigue test method has been established and future tests are planned.

  6. Influence of salivary contamination on the dentin bond strength of two different seventh generation adhesive systems: In vitro study

    PubMed Central

    Bhatia, Taranjeet Kaur; Asrani, Hemant; Banga, Harpreet; Jain, Aditi; Rawlani, Sudhir S.

    2015-01-01

    Aim: To investigate the effect of salivary contamination on the bond strength of two different seventh generation adhesive systems. Materials and Methods: Sixty caries-free human premolars with flat dentin surfaces were randomly divided into six groups of 10 teeth each and bonding was done using seventh-generation bonding agents Adper Easy One (3M ESPE) and Xeno V (Dentsply). Following the bonding procedure, resin composite was bonded to the surfaces using a plastic mould. The prepared specimen with composite cylinders attached were placed in 37°C distilled water for 24 h and then subjected to shear bond strength (SBS) with 0 h universal testing machine and the data were subjected to one-way analysis of variance and unpaired t-test. Results: Statistical significant difference between the Groups I, II and III in which Adper Easy One was used and similarly for Groups IV, V, and VI in which Xeno V was used. When an intergroup comparison was made using unpaired t-test Group II and Group V showed the nonsignificant difference. Conclusion: Salivary contamination significantly affects the SBS of both the seventh generation dentin bonding agents. However, 2-hydroxyethyl methacryate based adhesive has higher bond strength. PMID:26752841

  7. Single crystal X-ray diffraction and Hirshfeld surface analyses of supramolecular assemblies in certain hydrogen bonded heterocyclic organic crystals

    NASA Astrophysics Data System (ADS)

    Muthuraja, P.; Sethuram, M.; Shanmugavadivu, T.; Dhandapani, M.

    2016-10-01

    A set of four nitrogen containing heterocyclic organic compounds was synthesised in which enormous non-covalent interactions along with intensive hydrogen bonding were present. The crystal structures of four crystals, namely, 1H-2-3H-triazolium picrate (TZ-PA), 1H-2,3-triazole-3,5-dinitrobenzoic acid (TZ-DNB), N-p-tolyl-5-oxo pyrrolidine-3-carboxylic acid (TOPC) and itaconic acid-2-amino-4,6-dimethyl pyrimidine (IA-ADP) have been determined by single crystal X-ray diffraction at 296 K. The nature of intermolecular interactions has been analysed through Hirshfeld surfaces and 2D fingerprint plots. It is explicit that in TZ-PA and TZ-DNB, presence of nitro groups diminishes H⋯H contacts whereas the absence of nitro groups and presence of methyl group in IA-ADP and TOPC enhances H⋯H contacts. The intimate O⋯H contacts in all the compounds reveal excessive hydrogen bonding.

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

    PubMed

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

    2014-12-21

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

  9. Influence of light intensity on surface-free energy and dentin bond strength of single-step self-etch adhesives.

    PubMed

    Nojiri, Kie; Tsujimoto, Akimasa; Suzuki, Takayuki; Shibasaki, Syo; Matsuyoshi, Saki; Takamizawa, Toshiki; Miyazaki, Masashi

    2015-01-01

    In this study, we investigated the influence of light intensity on the surface-free energy and dentin bond strength of single-step selfetch adhesives. The adhesives were applied to the dentin surfaces of bovine mandibular incisors and cured with light intensities of 0 (no irradiation), 200, 400, and 600 mW/cm(2). Surface-free energies were determined by measuring the contact angles of three test liquids placed on the cured adhesives. Dentin bond strengths of the specimens were also measured. Polymerization with a higher light intensity resulted in a lower surface-free energy of the cured adhesives. The greatest bond strength was achieved when a light intensity of 400 mW/cm(2) or greater was used. Our data suggest that the surface-free energy and dentin bond strength of single-step self-etch adhesives are affected by light intensity of the curing unit.

  10. Bond Dissociation Energies of the Tungsten Fluorides and Their Singly-Charged Ions: A Density Functional Survey

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Arnold, James (Technical Monitor)

    1999-01-01

    The dissociation of WF6 and the related singly-charged cations and anions into the lower fluorides and fluorine atoms has been investigated theoretically using density functional theory (B3LYP) and relativistic effective core potentials, with estimates of spin-orbit effects included using a simple model. The inclusion of spin-orbit is essential for a correct description of the thermochemistry. The total atomization energy of the neutral and anionic WF6 is reproduced to within 25 kcal/mol, but comparison of individual bond dissociation energies with available experimental data shows discrepancies of up to 10 kcal/mol. The results are nevertheless useful to help resolve discrepancies in experimental data and provide estimates of missing data.

  11. Effect of dentin biomodification using naturally derived collagen cross-linkers: one-year bond strength study.

    PubMed

    Castellan, Carina S; Bedran-Russo, Ana K; Antunes, Alberto; Pereira, Patricia N R

    2013-01-01

    Purpose. This study investigated the long-term resin-dentin bond strength of dentin biomodified by proanthocyanidin-rich (PA) agents. Materials and Methods. Forty molars had their coronal dentin exposed, etched, and treated for 10 minutes with 6.5% grape seed extract (GSE), 6.5% cocoa seed extract ethanol-water (CSE-ET), 6.5% cocoa seed extract acetone-water (CSE-AC), and distilled water (CO). Samples were restored either with One-Step Plus (OS) or Adper Single-Bond Plus (SB). Bond strength test was performed immediately or after 3, 6, and 12 months. Results. Higher μ TBS were observed for GSE immediately (SB- 62.9 MPa; OS- 51.9 MPa) when compared to CSE-ET (SB- 56.95 MPa; OS- 60.28 MPa), CSE-AC (SB- 49.97 MPa; OS- 54.44 MPa), and CO (SB- 52.0 MPa; OS- 44.0 MPa) (P < 0.05). CSE outcomes were adhesive system and solvent dependant. After 12 months storage SB results showed no difference among treatment types (GSE- 57.15 MPa; CSE/ET- 54.04 MPa; CSE/AC- 48.22 MPa; CO- 51.68 MPa; P = 0.347),while OS results where treatment dependent (GSE- 42.62 MPa; CSE/ET- 44.06 MPa; CSE/AC- 41.30 MPa; CO- 36.85 MPa; P = 0.036). Conclusions. GSE and CSE-ET agents provided enhanced immediate adhesion and stabilization to demineralized dentin after long-term storage, depending on adhesive system.

  12. A single molecule assay to probe monovalent and multivalent bonds between hyaluronan and its key leukocyte receptor CD44 under force

    NASA Astrophysics Data System (ADS)

    Bano, Fouzia; Banerji, Suneale; Howarth, Mark; Jackson, David G.; Richter, Ralf P.

    2016-09-01

    Glycosaminoglycans (GAGs), a category of linear, anionic polysaccharides, are ubiquitous in the extracellular space, and important extrinsic regulators of cell function. Despite the recognized significance of mechanical stimuli in cellular communication, however, only few single molecule methods are currently available to study how monovalent and multivalent GAG·protein bonds respond to directed mechanical forces. Here, we have devised such a method, by combining purpose-designed surfaces that afford immobilization of GAGs and receptors at controlled nanoscale organizations with single molecule force spectroscopy (SMFS). We apply the method to study the interaction of the GAG polymer hyaluronan (HA) with CD44, its receptor in vascular endothelium. Individual bonds between HA and CD44 are remarkably resistant to rupture under force in comparison to their low binding affinity. Multiple bonds along a single HA chain rupture sequentially and independently under load. We also demonstrate how strong non-covalent bonds, which are versatile for controlled protein and GAG immobilization, can be effectively used as molecular anchors in SMFS. We thus establish a versatile method for analyzing the nanomechanics of GAG·protein interactions at the level of single GAG chains, which provides new molecular-level insight into the role of mechanical forces in the assembly and function of GAG-rich extracellular matrices.

  13. A single molecule assay to probe monovalent and multivalent bonds between hyaluronan and its key leukocyte receptor CD44 under force

    PubMed Central

    Bano, Fouzia; Banerji, Suneale; Howarth, Mark; Jackson, David G.; Richter, Ralf P.

    2016-01-01

    Glycosaminoglycans (GAGs), a category of linear, anionic polysaccharides, are ubiquitous in the extracellular space, and important extrinsic regulators of cell function. Despite the recognized significance of mechanical stimuli in cellular communication, however, only few single molecule methods are currently available to study how monovalent and multivalent GAG·protein bonds respond to directed mechanical forces. Here, we have devised such a method, by combining purpose-designed surfaces that afford immobilization of GAGs and receptors at controlled nanoscale organizations with single molecule force spectroscopy (SMFS). We apply the method to study the interaction of the GAG polymer hyaluronan (HA) with CD44, its receptor in vascular endothelium. Individual bonds between HA and CD44 are remarkably resistant to rupture under force in comparison to their low binding affinity. Multiple bonds along a single HA chain rupture sequentially and independently under load. We also demonstrate how strong non-covalent bonds, which are versatile for controlled protein and GAG immobilization, can be effectively used as molecular anchors in SMFS. We thus establish a versatile method for analyzing the nanomechanics of GAG·protein interactions at the level of single GAG chains, which provides new molecular-level insight into the role of mechanical forces in the assembly and function of GAG-rich extracellular matrices. PMID:27679982

  14. Effects of silver nanoparticles on the bonding of three adhesive systems to fluorotic enamel.

    PubMed

    Torres-Méndez, Fernando; Martinez-Castañon, Gabriel-Alejandro; Torres-Gallegos, Iranzihuatl; Zavala-Alonso, Norma-Verónica; Patiño-Marin, Nuria; Niño-Martínez, Nereyda; Ruiz, Facundo

    2017-02-01

    The objective was to evaluate the effect of adding silver nanoparticles into three commercial adhesive systems (Excite™, Adper Prompt L-Pop™ and AdheSE™). Nanoparticles were prepared by a chemical method then mixed with the commercial adhesive systems. This was later applied to the fluorotic enamel, and then micro-tensile bond strength, contact angle measurements and scanning electron microscopy observations were conducted. The commercial adhesive systems achieved the lowest micro-tensile bond strength (Excite™: 11.0±2.1, Adper Prompt L-Pop™: 14.0±5.4 and AdheSE™: 16.0±3.0 MPa) with the highest adhesive failure mode related with the highest contact angle (46.0±0.6º, 30.0±0.5º and 28.0±0.4º respectively). The bond strength achieved in all the experimental adhesive systems (19.0±5.4, 20.0±4.0 and 19.0±3.5 MPa respectively) was statistically higher (p<0.05) than the control and showed the highest cohesive failures related to the lowest contact angle. Adding silver nanoparticles in order to decrease the contact angle improve the adhesive system wetting and its bond strength.

  15. Evaluation of microshear bond strength of resin composites to enamel of dental adhesive systems associated with Er,Cr:YSGG laser

    NASA Astrophysics Data System (ADS)

    Cassimiro-Silva, Patricia F.; Zezell, Denise M.; Monteiro, Gabriela Q. d. M.; Benetti, Carolina; de Paula Eduardo, Carlos; Gomes, Anderson S. L.

    2016-02-01

    The aim of this in vitro study was to evaluate the microshear bond strength (μSBS) of resin composite to enamel etching by Er,Cr:YSGG laser with the use of two differents adhesives systems. Fifty freshly extracted human molars halves were embedded in acrylic resin before preparation for the study, making a total of up to 100 available samples. The specimens were randomly assigned into six groups (η=10) according to substrate pre-treatment and adhesive system on the enamel. A two-step self-etching primer system (Clearfil SE Bond) and a universal adhesive used as an etch-andrinse adhesive (Adper Single Bond Universal) were applied to the nonirradiated enamel surface according to manufacturer's instructions, as control groups (Control CF and Control SB, respectively). For the other groups, enamel surfaces were previously irradiated with the Er,Cr:YSGG laser with 0.5 W, 75 mJ and 66 J/cm2 (CF 5 Hz and SB 5 Hz) and 1.25 W, 50 mJ and 44 J/cm2 (CF 15 Hz and SB 15 Hz). Irradiation was performed under air (50%) and water (50%) cooling. An independent t-test was performed to compare the adhesive systems. Mean μSBS ± sd (MPa) for each group was 16.857 +/- 2.61, 17.87 +/- 5.83, 12.23 +/- 2.02, 9.88 +/- 2.26, 15.94 +/- 1.98, 17.62 +/- 2.10, respectively. The control groups and the 50 mJ laser groups showed no statistically significant differences, regardless of the adhesive system used. The results obtained lead us to affirm that the bonding interaction of adhesives to enamel depends not only on the morphological aspects of the dental surface, but also on the characteristics of the adhesive employed and the parameters of the laser.

  16. Relationship between force constants and bond lengths for CX (X = C, Si, Ge, N, P, As, O, S, Se, F, Cl and Br) single and multiple bonds: formulation of Badger's rule for universal use.

    PubMed

    Kurita, Eiichi; Matsuura, Hiroatsu; Ohno, Keiichi

    2004-11-01

    Geometries and harmonic vibrational wave numbers were calculated on a series of simple compounds that contain the atoms of elements in the groups 14-17 by density functional theory at the B3LYP/6-311++G(3df,2pd) level. The calculated wave numbers agree well with the observed harmonic wave numbers with substantially the same accuracy for the compounds of the different groups. The stretching force constants of the CX (X = C, Si, Ge, N, P, As, O, S, Se, F, Cl and Br) single and multiple bonds were obtained. The CX stretching force constants increase with a decrease of the bond lengths as the element X in the same period goes from left to right in the periodic table. The individual intrinsic properties of the CX bonds are lost gradually with increasing the period of the element X. The unified interpretation of Badger's rule has enabled the formulation of a common equation for universal use f = 2.8 R(-3) to relate the force constants f (10(2) N m(-1)) and the reduced bond lengths R (10(-10) m).

  17. Resin bond strength to water versus ethanol-saturated human dentin pretreated with three different cross-linking agents

    PubMed Central

    Venigalla, Bhuvan Shome; Jyothi, Pinnamreddy; Kamishetty, Shekhar; Reddy, Smitha; Cherukupalli, Ravi Chandra; Reddy, Depa Arun

    2016-01-01

    Context: Resin-dentin bonds are unstable owing to hydrolytic and enzymatic degradation. Several approaches such as collagen cross-linking and ethanol-wet bonding (EWB) have been developed to overcome this problem. Collagen cross-linking improves the intrinsic properties of the collagen matrix. However, it leaves a water-rich collagen matrix with incomplete resin infiltration making it susceptible to fatigue degradation. Since EWB is expected to overcome the drawbacks of water-wet bonding (WWB), a combination of collagen cross-linking with EWB was tested. Aim: The aim of this study was to compare the effect of pretreatment with different cross-linking agents such as ultraviolet A (UVA)-activated 0.1% riboflavin, 1 M carbodiimide, and 6.5 wt% proanthocyanidin on the immediate and long-term bond strengths of an etch and rinse adhesive system to water- versus ethanol-saturated dentin within clinically relevant application time periods. Settings and Design: Long-term in vitro study evaluating the microtensile bond strength of adhesive-dentin interface after different surface pretreatments. Subjects and Methods: Eighty freshly extracted human molars were prepared to expose dentin, etched with 37% phosphoric acid for 15 s rinsed, and grouped randomly. They were blot-dried and pretreated with different cross-linkers: 0.1% riboflavin for 2 min followed by UVA activation for 2 min; 1 M carbodiimide for 2 min; 6.5 wt% proanthocyanidin for 2 min and rinsed. They were then bonded with Adper Single Bond Adhesive (3M ESPE), by either WWB or EWB, followed by resin composite build-ups (Filtek Z350, 3M ESPE). Bonded specimens in each group were then sectioned and divided into two halves. Microtensile bond strength was tested in one half after 24 h and the other after 6 months storage in artificial saliva. Statistical Analysis Used: Analysis was done using SPSS version 18 software (SPSS Inc., Chicago, IL, USA). Intergroup comparison of bond strength was done using ANOVA with post hoc

  18. Communication: Single crystal x-ray diffraction observation of hydrogen bonding between 1-propanol and water in a structure II clathrate hydrate.

    PubMed

    Udachin, Konstantin; Alavi, Saman; Ripmeester, John A

    2011-03-28

    Single crystal x-ray crystallography is used to detect guest-host hydrogen bonding in structure II (sII) binary clathrate hydrate of 1-propanol and methane. X-ray structural analysis shows that the 1-propanol oxygen atom is at a distance of 2.749 and 2.788 Å from the closest clathrate hydrate water oxygen atoms from a hexagonal face of the large sII cage. The 1-propanol hydroxyl hydrogen atom is disordered and at distances of 1.956 and 2.035 Å from the closest cage water oxygen atoms. These distances are compatible with guest-water hydrogen bonding. The C-C-C-O torsional angle in 1-propanol in the cage is 91.47° which corresponds to a staggered conformation for the guest. Molecular dynamics studies of this system demonstrated guest-water hydrogen bonding in this hydrate. The molecular dynamics simulations predict most probable distances for the 1-propanol-water oxygen atoms to be 2.725 Å, and the average C-C-C-O torsional angle to be ~59° consistent with a gauche conformation. The individual cage distortions resulting from guest-host hydrogen bonding from the simulations are rather large, but due to the random nature of the hydrogen bonding of the guest with the 24 water molecules making up the hexagonal faces of the large sII cages, these distortions are not observed in the x-ray structure.

  19. A single Watson-Crick G x C base pair in water: aqueous hydrogen bonds in hydrophobic cavities.

    PubMed

    Sawada, Tomohisa; Fujita, Makoto

    2010-05-26

    Hydrogen bond (H-bond) formation in water has been a challenging task because water molecules are constant competitors. In biological systems, however, stable H-bonds are formed by shielding the H-bonding sites from the competing water molecules within hydrophobic pockets. Inspired by the nature's elaborated way, we found that even mononucleotides (G and C) can form the minimal G x C Watson-Crick pair in water by simply providing a synthetic cavity that efficiently shields the Watson-Crick H-bonding sites. The minimal Watson-Crick structure in water was elucidated by NMR study and firmly characterized by crystallographic analysis. The crystal structure also displays that, within the cavity, coencapsulated anions and solvents efficiently mediate the minimal G x C Watson-Crick pair formation. Furthermore, the competition experiments with the other nucleobases clearly revealed the evident selectivity for the G x C base pairing in water. These results show the fact that a H-bonded nucleobase pair was effectively induced and stabilized in the local environment of an artificial hydrophobic cavity.

  20. Pd-Catalyzed Autotandem Reactions with N-Tosylhydrazones. Synthesis of Condensed Carbo- and Heterocycles by Formation of a C-C Single Bond and a C═C Double Bond on the Same Carbon Atom.

    PubMed

    Paraja, Miguel; Valdés, Carlos

    2017-04-05

    A new Pd-catalyzed autotandem reaction is introduced that consists of the cross-coupling of a benzyl bromide with a N-tosylhydrazone followed by an intramolecular Heck reaction with an aryl bromide. During the process, a single and a double C-C bond are formed on the same carbon atom. Two different arrangements for the reactive functional groups are possible, rendering great flexibility to the transformation. The same strategy led to 9-methylene-9H-fluorenes, 9-methylene-9H-xanthenes, 9-methylene-9,10-dihydroacridines, and also dihydropyrroloisoquinoline and dihydroindoloisoquinoline derivatives.

  1. Negative effects of a disulfide bond mismatch in anti-rabies G protein single-chain antibody variable fragment FV57.

    PubMed

    Duan, Ye; Gu, Tiejun; Zhang, Xizhen; Jiang, Chunlai; Yuan, Ruosen; Li, Zhuang; Wang, Dandan; Chen, Xiaoxu; Wu, Chunlai; Chen, Yan; Wu, Yongge; Kong, Wei

    2014-06-01

    Rabies virus (RV) causes a fatal infectious disease requiring efficient post-exposure prophylaxis (PEP), which includes a rabies vaccine and rabies immunoglobulin (RIG). The single-chain antibody variable fragment (scFv), a small engineered antibody fragment derived from an antibody variable heavy chain and light chain, has the potential to replace the current application of RIG. In previous studies, we constructed and evaluated an anti-rabies virus G protein scFv (FV57) based on the monoclonal antibody CR57. Of the five cysteines in FV57, four are linked in intra-chain disulfide bonds (Cys-VH28/Cys-VH98 and Cys-VL16/Cys-VL84), and one is free (Cys-VL85). However, the thiol in Cys-VL85 neighboring Cys-VL84 in the CDR3 of the light chain is likely to mismatch with the thiol in Cys-VL16 during the renaturing process. In order to study effects of the mismatched disulfide bond, Cys-VL85 and Cys-VL84 of FV57 were mutated to serine to construct mutants FV57(VL85S) and FV57(VL84S). Furthermore, the disulfide bonds in the light chain of FV57, FV57(VL85S) and FV57(VL84S) were deleted by mutating Cys-VL16 to serine. All mutants were prepared and evaluated along with the original FV57. The results indicated that the mismatched disulfide bond of FV57 linking the light chain FR1 and CDR3 would confer deleterious negative effects on its activity against RV, likely due to spatial hindrance in the light chain CDR3. Moreover, avoidance of the disulfide bond mismatch provided an additional 30% protective efficacy against RV infection in the mouse RV challenge model. Thus, modifications of FV57 to eliminate the disulfide bond mismatch may provide a candidate therapeutic agent for effective PEP against rabies.

  2. Bond Strength of One-Step Adhesives under Different Substrate Moisture Conditions

    PubMed Central

    Faria-e-Silva, André Luís; Fabião, Mayra Melo; Sfalcin, Ravana Angelini; de Souza Meneses, Murilo; Santos-Filho, Paulo César Freitas; Soares, Paulo Vinícius; Martins, Luís Roberto

    2009-01-01

    Objectives The aim of this study was to evaluate the bond strength of one-step adhesive systems to dry or moist dental substrate. Methods Thirty human third molars were sectioned into two halves, in the mesio-distal direction, parallel to the long axis of the tooth. Each half was embedded in a polystyrene resin cylinder so that the buccal/lingual surface remained exposed. This exposed surface was abraded to obtain both flat exposed enamel and dentin. The samples were randomly allocated according to the adhesive system (Xeno III, Adper Prompt and iBond) and moisture condition (dry and moist). The substrates were air-dried for 30 s for dry condition, while the moist substrates were re-wet with 2.5 μl of distilled water after drying. After the adhesive procedures, two resin composite cylinders were build-up on dentin and enamel substrates, totaling four per sample. A shear load was applied to the samples at a crosshead speed of 0.5 mm/min until failure. Data were statistically analyzed by three-way ANOVA and the Tukey test (α=0.05). Results The evaluated one-step adhesives showed higher bond strength to dentin than enamel. The iBond presented better bond performance to moist substrate and Xeno III to dry substrate. The moisture condition did not interfere in the performance of Adper Prompt. The Xeno III and iBond presented higher bond strength than the other adhesives to both dry and moist substrates. Conclusions The moisture condition of substrate interfered in the performance of one-step self-etching adhesives and the best moisture condition was material dependent. PMID:19826601

  3. Photodegradation of organic contamination in wastewaters by bonding TiO2/single-walled carbon nanotube composites with enhanced photocatalytic activity.

    PubMed

    Zhou, Wei; Pan, Kai; Qu, Yang; Sun, Fanfei; Tian, Chungui; Ren, Zhiyu; Tian, Guohui; Fu, Honggang

    2010-10-01

    Bonding TiO(2)/single-walled carbon nanotube (SWCNT) composites have been successfully synthesized through a facile sol-solvothermal technique. The obtained materials were characterized in detail by XRD, FT-IR, Raman and TEM. The results revealed that TiO(2) and SWNCT linked compactly through ester bonds and thus improved their interfaces. Therefore, the recombination of photogenerated electron-hole pairs was inhibited efficiently, which improved the photocatalytic activity. A reasonable mechanism was proposed to explain its formation. The photocatalytic activity was investigated utilizing rhodamine B and nitrobenzene (NB) as models for organic contamination in wastewaters. Experimental results indicated that this bonding composite exhibited higher photocatalytic activity than that of Degussa P25. The excellent photocatalytic activity could be attributed to larger surface area, smaller crystalline size, and especially the ester bonds, which was further confirmed by surface photovoltage spectroscopy. Furthermore, by adding ()OH scavenger tert-butanol, the obvious decrease of NB photodegradation indicated that NB was oxidized primarily by ()OH. The photodegradation products were identified by GC/MS, further indicating that the degradation proceeded via ()OH oxidation. A possible reaction pathway for the degradation of NB was suggested by the evidence presented in this study.

  4. Tunable crossover between one- and three-dimensional magnetic dynamics in C oII single-chain magnets organized by halogen bonding

    NASA Astrophysics Data System (ADS)

    Amjad, A.; Clemente-Juan, J. M.; Coronado, E.; Luis, F.; Evangelisti, M.; Espallargas, G. Mínguez; del Barco, E.

    2016-06-01

    Low-temperature magnetometry, ac susceptibility, and calorimetry have been employed to study Co-based single-chain magnets (SCMs) organized through halogen bonding. Magnetic hysteresis and maxima in the dc and ac susceptibilities, respectively, confirm the SCM behavior of the system. Several characteristic magnetic relaxation regimes are observed at different temperatures, which can be associated with both intra- and interchain exchange interactions. Remarkably, tweaking the rate at which an external magnetic field is swept along the axis of the chains enables a controlled transition between the one- and three-dimensional dynamics. Experiments on an isostructural Co-based SCM system crystallized with different halogens do not show three-dimensional dynamics, illustrating the importance of halogen bonding on the control of interchain interactions.

  5. Citrate-hydrazine hydrogen-bonding driven single-step synthesis of tunable near-IR plasmonic, anisotropic silver nanocrystals: implications for SERS spectroscopy of inorganic oxoanions.

    PubMed

    Pattanayak, Satarupa; Swarnkar, Abhishek; Priyam, Amiya; Bhalerao, Gopal M

    2014-08-21

    A simplified, single-step aqueous synthesis route to tunable anisotropic silver nanocrystals (NCs) has been developed by tailoring the hydrogen-bonding interactions between a mild stabilizer, sodium citrate, and a mild reductant, hydrazine hydrate. The structure directing ability of the H-bonding interaction was harnessed by keeping a stoichiometric excess of hydrazine under ambient conditions (pH 7, 25 °C). Decreasing the synthesis temperature to 5 °C imparts rigidity to the citrate-hydrazine H-bonding network, and the plasmon peak moves from 500 to 550 nm (using 40 mM hydrazine). On lowering the pH from 7 to 5, the H-bonding is further strengthened due to partial protonation of citrate and the plasmon peak is tuned to 790 nm. Further, we found that, at 5 °C and pH 5, there also exists a sub-stoichiometric regime in which maximum tunability of the plasmon peak (790→1010 nm) is achieved with 1 mM hydrazine. HR-TEM reveals that the near-IR plasmonic NCs are nanopyramids having a pentagonal base with edge length varying from 15 nm to 30 nm. Through second derivative FTIR analysis, a correlation between hydrogen-bonded molecular vibrations and the plasmon tunability has been established. The anisotropic NCs exhibit significant Raman enhancement on the citrate molecules. Further, a solution-phase, non-resonant SERS spectroscopic detection method for an inorganic contaminant of ground water, arsenite, has also been developed.

  6. Evaluation of Shear Bond Strength of Total- and Self-etching Adhesive Systems after Application of Chlorhexidine to Dentin Contaminated with a Hemostatic Agent

    PubMed Central

    Sharafeddin, Farahnaz; Farhadpour, Hajar

    2015-01-01

    Statement of the Problem Hemostatic agents may influence the bond strength of different bonding agents. Also, chlorhexidine has shown positive effects on bond strength values and their combination effect has not been reported yet. Purpose The aim of this study was to evaluate the effect of contamination with a hemostatic agent on shear bond strength (SBS) of total- and self-etching adhesive systems and the effect of chlorhexidine application after removal of the hemostatic agent. Materials and Method In this experimental study, the occlusal enamel of each sixty caries-free mandibular molars was removed and their midcoronal dentin was exposed. The specimens were then mounted in auto-polymerizing resin 1mm apical to CEJ. Then, the specimens were divided into 6 groups (n=10) based on contamination with a hemostatic agent (H), application of chlorhexidine (CHX) and the adhesive system used; and then were classified as Group 1: Adper Single Bond (ASB); Group 2: H+ASB; Group 3: H+0.2% CHX+ASB; Group 4: Clearfil SE Bond (CSB); Group 5: H+CSB; Group 6: H+0.2% CHX+CSB. Then, composite resin rods (4×2 mm) were built up on the dentin surfaces and after thermocycling, the SBS (MPa) was evaluated. Statistical analysis was performed using two-way ANOVA and post hoc Tukey tests (p< 0.05). Results There were statistically significant differences between bond strength values of group 1 (ASB) and group 2 (H+ASB) (p< 0.001) and group 1 (ASB) and group 3 (H+CHX+ASB) (p< 0.001). Similarly, significant differences were seen between group 4 (CSB) and group 5 (H+CSB) (p< 0.001) and between group 4 (CSB) and group 6 (H+CHX+CSB) (p< 0.001). Conclusion Contamination with hemostatic agent reduced the SBS of both total- and self-etching adhesive systems. In addition, application of chlorhexidine after the removal of hemostatic agent had a negative effect on SBS of total- and self-etching adhesive systems. PMID:26331146

  7. Comparison of tensile bond strengths of four one-bottle self-etching adhesive systems with Er:YAG laser-irradiated dentin.

    PubMed

    Jiang, Qianzhou; Chen, Minle; Ding, Jiangfeng

    2013-12-01

    This study aimed to investigate the interaction of current one-bottle self-etching adhesives and Er:YAG laser with dentin using a tensile bond strength (TBS) test and scanning electron microscopy (SEM) in vitro. Two hundred and thirteen dentin discs were randomly distributed to the Control Group using bur cutting and to the Laser Group using an Er:YAG laser (200 mJ, VSP, 20 Hz). The following adhesives were investigated: one two-step total-etch adhesive [Prime & Bond NT (Dentsply)] and four one-step self-etch adhesives [G-Bond plus (GC), XENO V (Dentsply), iBond Self Etch (Heraeus) and Adper Easy One (3 M ESPE)]. Samples were restored with composite resin, and after 24-hour storage in distilled water, subjected to the TBS test. For morphological analysis, 12 dentin specimens were prepared for SEM. No significant differences were found between the control group and laser group (p = 0.899); dentin subjected to Prime & Bond NT, XENOV and Adper Easy One produced higher TBS. In conclusion, this study indicates that Er:YAG laser-prepared dentin can perform as well as bur on TBS, and some of the one-step one-bottle adhesives are comparable to the total-etch adhesives in TBS on dentin.

  8. Effect of Er,Cr:YSGG Laser at Different Output Powers on the Micromorphology and the Bond Property of Non-Carious Sclerotic Dentin to Resin Composites

    PubMed Central

    Wang, Weiguo; Jiao, Yang; Wang, Wanshan; Yang, Yanwei; Wei, Jingjing; Shen, Lijuan; Chen, Jihua

    2015-01-01

    Background The objective of this study was to investigate the influence of Er,Cr:YSGG laser irradiated at different powers on the micromorphology and the bonding property of non-carious sclerotic dentin to resin composites. Methods Two hundred bovine incisors characterized by non-carious sclerotic dentin were selected, and the seventy-two teeth of which for surface morphological analysis were divided into nine groups according to various treatments (A: the control group, B: only treated with the adhesive Adper Easy One, C: diamond bur polishing followed by Adper Easy One, D-I: Er,Cr:YSGG laser irradiating at 1W, 2W, 3W, 4W, 5W, 6W output power, respectively, followed by Adper Easy One). The surface roughness values were measured by the non-contact three-dimensional morphology scanner, then the surface micromorphologies of surfaces in all groups were assessed by scanning electron microscopy (SEM); meanwhile, Image Pro-Plus 6.0 software was used to measure the relative percentage of open tubules on SEM images. The rest, one hundred twenty-eight teeth for bond strength test, were divided into eight groups according to the different treatments (A: only treated with the adhesive Adper Easy One, B: diamond bur polishing followed by the above adhesive, C-H: Er,Cr:YSGG laser irradiating at 1 W, 2 W, 3 W, 4 W, 5 W, 6 W output power, respectively, followed by the above adhesive), and each group was subsequently divided into two subgroups according to whether aging is performed (immediately tested and after thermocycling). Micro-shear bond strength test was used to evaluate the bond strength. Results The 4W laser group showed the highest roughness value (30.84±1.93μm), which was statistically higher than the control group and the diamond bur groups (p<0.05). The mean percentages ((27.8±1.8)%, (28.0±2.2)%, (30.0±1.9)%) of open tubules area in the 4W, 5W, 6W group were higher than other groups (p<0.05). The 4W laser group showed the highest micro-shear bond strength not

  9. Effect of thermocycling on the durability of etch-and-rinse and self-etch adhesives on dentin.

    PubMed

    Sangwichit, Ketkamon; Kingkaew, Ruksaphon; Pongprueksa, Pong; Senawongse, Pisol

    2016-01-01

    The objective was to compare bond strengths of adhesives with/without thermocycling and to analyze the micromorphology of resindentin interfaces. Flat dentin surfaces were prepared and divided into eight groups to bond with four etch-and-rinse adhesives (Optibond FL, Adper Scotchbond Multi-Purpose, Optibond Solo Plus, and Single Bond 2) and four self-etch adhesives (Clearfil SE Bond, Adper SE Plus, Clearfil S(3) Bond and Adper Easy Bond). Specimens were further divided into two subgroups subjected for with/without thermocycling and then subjected to both micro-tensile test and resin-dentin interface evaluation. The results revealed that there were significant differences in bond strength between the groups with and without thermocycling for all etch-and-rinse groups and for the Adper Easy Bond self-etch group (p<0.01). Clearfil SE Bond demonstrated highly durable bond strengths. Furthermore, more silver ion uptake was observed at the resin-dentin interfaces for all etch-and-rinse adhesives and Adper SE Plus and Adper Easy Bond after thermocycling.

  10. Insights into electron tunneling across hydrogen-bonded base-pairs in complete molecular circuits for single-stranded DNA sequencing.

    PubMed

    Lee, Myeong H; Sankey, Otto F

    2009-01-21

    We report a first-principles study of electron ballistic transport through a molecular junction containing deoxycytidine-monophosphate (dCMP) connected to metal electrodes. A guanidinium ion and guanine nucleobase are tethered to gold electrodes on opposite sides to form hydrogen bonds with the dCMP molecule providing an electric circuit. The circuit mimics a component of a potential device for sequencing unmodified single-stranded DNA. The molecular conductance is obtained from DFT Green's function scattering methods and is compared to estimates from the electron tunneling decay constant obtained from the complex band structure. The result is that a complete molecular dCMP circuit of 'linker((CH(2))(2))-guanidinium-phosphate-deoxyribose-cytosine-guanine' has a very low conductance (of the order of fS) while the hydrogen-bonded guanine-cytosine base-pair has a moderate conductance (of the order of tens to hundreds of nS). Thus, while the transverse electron transfer through base-pairing is moderately conductive, electron transfer through a complete molecular dCMP circuit is not. The gold Fermi level is found to be aligned very close to the HOMO for both the guanine-cytosine base-pair and the complete molecular dCMP circuit. Results for two different plausible geometries of the hydrogen-bonded dCMP molecule reveal that the conductance varies from fS for an extended structure to pS for a slightly compressed structure.

  11. ELECTRON DONOR ACCEPTOR DESCRIPTORS OF THE SINGLE AND DOUBLE BONDED SUBSTITUENT AND HETEROATOM INCORPORATION EFFECTS. A REVIEW.

    PubMed

    Mazurek, Andrzej

    2016-01-01

    The properties of the series of Electron Donor-Acceptor (EDA) descriptors of classical substituent effect (sEDA(I), pEDA(I)), double bonded substituent effect (sEDA(=), pEDA(=)), heteroatom incorporation effect in monocyclic systems (sEDA(II), pEDA(II)), and in ring-junction position (sEDA(III), pEDA(III)), are reviewed. The descriptors show the amount of electrons donated to or withdrawn from the σ-(sEDA) or π(pEDA) valence orbitals by the substituent or incorporant. The new descriptors are expected to enrich the potency of QSAR analyses in drug design and materials chemistry.

  12. Effects of simplified ethanol-wet bonding technique on immediate bond strength with normal versus caries-affected dentin

    PubMed Central

    Aggarwal, Vivek; Singla, Mamta; Sharma, Ritu; Miglani, Sanjay; Bhasin, Saranjit Singh

    2016-01-01

    Aim: The aim of the present study was to evaluate whether the use of simplified ethanol-wet bonding (EWB) technique improved the immediate microtensile bond strength (μTBS) between resin composite and caries-affected dentin (CAD). Materials and Methods: Twenty-four extracted carious human permanent molars were sectioned to expose the carious lesion. The carious dentin was excavated until CAD was exposed. The samples were divided into two groups: water-wet bonding with Adper Scotchbond Multi-Purpose and a simplified EWB (three 100% ethanol applications for 30 s each), followed by application of an experimental hydrophobic primer and restoration. The samples were vertically sectioned to produce 1 mm × 1 mm thick slabs. The normal dentin (ND) slabs and CAD slabs were identified and were subjected to μTBS evaluation. Slabs from four teeth (two from each group) were evaluated under microscope. Data were analyzed using two-way ANOVA and post hoc Holm–Sidak test at P < 0.05. Results: EWB improved the μTBS in ND but not in CAD group. The dentinal tubules in CAD group showed sclerotic activity with minimal or no hybrid layer. Conclusions: Simplified ethanol bonding does not improve the bond strength in CAD. PMID:27656059

  13. Development of a new single-bottle multi-purpose primer for bonding to dental porcelain, alumina, zirconia, and dental gold alloy.

    PubMed

    Ikemura, Kunio; Tanaka, Hisaki; Fujii, Toshihide; Deguchi, Mikito; Endo, Takeshi; Kadoma, Yoshinori

    2011-01-01

    This study investigated the bonding efficacy of a combined primer application which comprised a silane coupling agent, an acidic adhesive monomer, and a dithiooctanoate monomer, as well as the influence of shelf life on bonding. Five experimental primers (coded as Si-P-SS-1 to Si-P-SS-4, and Si-SS as the control) were prepared using 20.0-40.0 wt% 3-methacryloyloxypropyltriethoxysilane (3-MPTES), 0-7.44 wt% 6-methacryloyloxyhexyl phosphonoacetate (6-MHPA), and 0.50 wt% 10-methacryloyloxydecyl 6,8-dithiooctanoate (10-MDDT). After 24-hour storage at 23°C (Initial) and 2-month storage at 50°C (Aged), tensile bond strengths (TBSs) of a resin cement (ResiCem, Shofu Inc., Kyoto, Japan) to primer-treated porcelain, alumina, zirconia, and Au alloy were measured. With the Initial and Aged primers of Si-P-SS-1 to Si-P-SS-3, there were no statistically significant differences in the mean TBSs (MPa) [porcelain: 21.7-29.2; alumina: 21.4-25.3; zirconia: 20.3-24.5; and Au alloy: 23.4-27.6] among these three primers (p>0.05), but they were significantly higher than that of the control primer (p<0.05). The experimental primers Si-P-SS-1 to Si-P-SS-3 demonstrated good potential as multi-purpose primers: they had good shelf lives as single-bottle primer systems and were thus able to exhibit good bond strength to all the adherends tested after 2-month storage under accelerated aging conditions.

  14. Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.

    PubMed

    DiFranco, Stephen A; Staples, Richard J; Odom, Aaron L

    2013-02-21

    Mo(NMe(2))(4) and the tridentate, dipyrrolyl ligand H(2)dpma(mes) were found to form 5-coordinate Mo(NMe(2))(2)(dpma(mes)) (1), which exhibits spin-crossover behaviour in solution. The complex is a ground state singlet with a barrier of 1150 cm(-1) for production of the triplet in d(8)-toluene. The complex reacts with 1,1-disubstituted hydrazines or O-benzylhydroxylamine to produce nitrido MoN(NMe(2))(dpma(mes)). The mechanism of the 1,1-dimethylhydrazine reaction with 1 was examined along with the mechanism of substitution of NMe(2) with H(2)NNMe(2) in a diamagnetic zirconium analogue. The proposed mechanism involves production of a hydrazido(1-) intermediate, Mo(NMe(2))(NHNMe(2))(dpma(mes)), which undergoes an α,β-proton shift and N-N bond cleavage with metal oxidation to form the nitrido. The rate law for the reaction was found to be -d[1]/dt = k(obs)[1][hydrazine] by initial rate experiments and examination of the full reaction profile. This conversion from hydrazido(1-) to nitrido is somewhat analogous to the proposed mechanism for O-O bond cleavage in some peroxidases.

  15. Transversal thermal transport in single-walled carbon nanotube bundles: influence of axial stretching and intertube bonding.

    PubMed

    Gharib-Zahedi, Mohammad Reza; Tafazzoli, Mohsen; Böhm, Michael C; Alaghemandi, Mohammad

    2013-11-14

    Using reverse nonequilibrium molecular dynamics simulations the influence of intermolecular bridges on the thermal conductivity (λ) in carbon nanotube (CNT) bundles has been investigated. The chosen cross linkers (CH2, O, CO) strengthen the transversal energy transport relative to the one in CNT bundles without bridges. The results showed that λ does not increase linearly with the linker density. The efficiency of the heat transport is determined by the number of linkers in the direction of the heat flux, the type of the linker, and their spatial ordering. The influence of a forced axial stress on the transversal λ has been also studied. The observed λ reduction with increasing axial stretching in a neat CNT bundle can be (over)compensated by cross linkers. The present computational data emphasize the contribution of phonons to the transversal heat transport in CNT bundles with intertube bonds.

  16. The effect of hydrogen bonding on the diffusion of water in n-alkanes and n-alcohols measured with a novel single microdroplet method.

    PubMed

    Su, Jonathan T; Duncan, P Brent; Momaya, Amit; Jutila, Arimatti; Needham, David

    2010-01-28

    While the Stokes-Einstein (SE) equation predicts that the diffusion coefficient of a solute will be inversely proportional to the viscosity of the solvent, this relation is commonly known to fail for solutes, which are the same size or smaller than the solvent. Multiple researchers have reported that for small solutes, the diffusion coefficient is inversely proportional to the viscosity to a fractional power, and that solutes actually diffuse faster than SE predicts. For other solvent systems, attractive solute-solvent interactions, such as hydrogen bonding, are known to retard the diffusion of a solute. Some researchers have interpreted the slower diffusion due to hydrogen bonding as resulting from the effective diffusion of a larger complex of a solute and solvent molecules. We have developed and used a novel micropipette technique, which can form and hold a single microdroplet of water while it dissolves in a diffusion controlled environment into the solvent. This method has been used to examine the diffusion of water in both n-alkanes and n-alcohols. It was found that the polar solute water, diffusing in a solvent with which it cannot hydrogen bond, closely resembles small nonpolar solutes such as xenon and krypton diffusing in n-alkanes, with diffusion coefficients ranging from 12.5x10(-5) cm(2)/s for water in n-pentane to 1.15x10(-5) cm(2)/s for water in hexadecane. Diffusion coefficients were found to be inversely proportional to viscosity to a fractional power, and diffusion coefficients were faster than SE predicts. For water diffusing in a solvent (n-alcohols) with which it can hydrogen bond, diffusion coefficient values ranged from 1.75x10(-5) cm(2)/s in n-methanol to 0.364x10(-5) cm(2)/s in n-octanol, and diffusion was slower than an alkane of corresponding viscosity. We find no evidence for solute-solvent complex diffusion. Rather, it is possible that the small solute water may be retarded by relatively longer residence times (compared to non-H-bonding

  17. The length of a CC single bond joining two 1,2-dihydropyridine rings in 6,7,12a,12b-tetrahydrodipyrido[1,2-a:2',1'-c]pyrazine and its congeners

    NASA Astrophysics Data System (ADS)

    Toyota, Azumao; Muramatsu, Takashi; Ikegami, Yusaku

    1994-07-01

    We have carried out full geometry optimizations using the MNDO MO method on conformers of the titled molecule and those of its congeners. It is found that a dl form is more stable than the corresponding meso form by 1.2-5.7kcalmol -1. Further, the CC single bond which joins the two 1,2-dihydropyridine rings is found to be unusually long, especially for the meso conformer of the higher members, ca. 1.60 Å. A perturbational MO analysis reveals that a through-bond interaction is operative between the two non-conjugated C=C-C=C-N π systems via the CC single bond. Besides, the C atoms of the CC single bond are shown to carry large positive charges, and a fairly good linear correlation is found between the CC single bond distance and the magnitude of the net atomic charge. The origin of bond elongation common to the meso and dl conformers of the present molecules is taken as the combined effects due to the throughbond and coulombic interactions.

  18. Comparison of enamel and dentin microshear bond strengths of a two-step self-etching priming system with five all-in-one systems.

    PubMed

    Burrow, Michael F; Kitasako, Yuichi; Thomas, C David; Tagami, Junji

    2008-01-01

    Data on the adhesive strength of new all-in-one adhesives are still relatively limited. This study compared the microshear bond strengths of five recent all-in-one self-etching priming systems (G-Bond, One-Up Bond-F Plus, Clearfil S3 Bond, Adper Prompt L-Pop and Go!) with a widely used two-step self-etching priming system (Clearfil SE Bond). Human molars were sectioned and finished with 600-grit SiC paper. Both enamel and dentin were bonded using adhesives with a 0.7 mm bonding diameter. Bond strengths were tested using a microshear bond test method at a crosshead speed of 1 mm/minute. The mean bond strengths and standard deviations were calculated and analyzed using ANOVA and the Tukey's HSD test. Results showed the two-step self-etching system had significantly higher bond strengths to dentin. However, for enamel bond strength, Clearfil SE Bond showed no statistical difference to G-Bond and Go!; however, all of the other materials were statistically lower. It is necessary to examine these new materials clinically to determine their efficacy.

  19. First principle investigation of electronic structure, chemical bonding and optical properties of tetrabarium gallium trinitride oxide single crystal

    SciTech Connect

    Khan, Saleem Ayaz Azam, Sikander

    2015-10-15

    The electronic band structure, valence electron charge density and optical susceptibilities of tetrabarium gallium trinitride (TGT) were calculated via first principle study. The electronic band structure calculation describes TGT as semiconductor having direct band gap of 1.38 eV. The valence electronic charge density contour verified the non-polar covalent nature of the bond. The absorption edge and first peak of dielectric tensor components showed electrons transition from N-p state to Ba-d state. The calculated uniaxial anisotropy (0.4842) and birefringence (−0.0061) of present paper is prearranged as follow the spectral components of the dielectric tensor. The first peak in energy loss function (ELOS) shows the energy loss of fast traveling electrons in the material. The first sharp peak produced in ELOS around 10.5 eV show plasmon loss having plasma frequencies 0.1536, 0.004 and 0.066 of dielectric tensor components. This plasmon loss also cause decrease in reflectivity spectra.

  20. Probing the bonding and electronic structure of single atom dopants in graphene with electron energy loss spectroscopy.

    PubMed

    Ramasse, Quentin M; Seabourne, Che R; Kepaptsoglou, Despoina-Maria; Zan, Recep; Bangert, Ursel; Scott, Andrew J

    2013-10-09

    A combination of scanning transmission electron microscopy, electron energy loss spectroscopy, and ab initio calculations reveal striking electronic structure differences between two distinct single substitutional Si defect geometries in graphene. Optimised acquisition conditions allow for exceptional signal-to-noise levels in the spectroscopic data. The near-edge fine structure can be compared with great accuracy to simulations and reveal either an sp(3)-like configuration for a trivalent Si or a more complicated hybridized structure for a tetravalent Si impurity.

  1. Simple Bond Cleavage

    SciTech Connect

    Gary S. Groenewold

    2005-08-01

    Simple bond cleavage is a class of fragmentation reactions in which a single bond is broken, without formation of new bonds between previously unconnected atoms. Because no bond making is involved, simple bond cleavages are endothermic, and activation energies are generally higher than for rearrangement eliminations. The rate of simple bond cleavage reactions is a strong function of the internal energy of the molecular ion, which reflects a loose transition state that resembles reaction products, and has a high density of accessible states. For this reason, simple bond cleavages tend to dominate fragmentation reactions for highly energized molecular ions. Simple bond cleavages have negligible reverse activation energy, and hence they are used as valuable probes of ion thermochemistry, since the energy dependence of the reactions can be related to the bond energy. In organic mass spectrometry, simple bond cleavages of odd electron ions can be either homolytic or heterolytic, depending on whether the fragmentation is driven by the radical site or the charge site. Simple bond cleavages of even electron ions tend to be heterolytic, producing even electron product ions and neutrals.

  2. Identification and cleavage of breakable single bonds by selective oxidation, reduction, and hydrolysis. Annual report, October 1, 1980-September 30, 1981

    SciTech Connect

    Hirschon, A.S.; Zevely, J.; Mayo, F.R.

    1981-11-12

    The objective of this project is to determine the structure of bituminous coal by determining the proportions of the various kinds of connecting bonds and how they can best be broken. Results obtained during the past quarter are presented for the following tasks: (1) extractions and fractionations of coal products which covers pyridine extraction, fractionation of TIPS fractions, EDA extraction of Illinois No. 6 coal and swelling ratios of coal samples; (2) experiments on breakable single bonds which cover reactions of ethylenediamine and model ethers, reaction of pyridine-extracted coal with Me/sub 3/SiI, Baeyer-Villiger oxidations, reaction to diphenylmethane with 15% HNO/sub 3/, cleavage of TIPS with ZnI/sub 2/, and cleavage of black acids; and (3) oxygen oxidation No. 18. Some of the highlights of these studies are: (1) some model ethers are not cleaved by EDA under extraction conditions; (2) oxidation of diaryl ketones with m-chloroperbenzoic acid and saponification of the resulting esters in promising for identifying ketones, (3) treatment of a black acid with pyridine hydroiodide reduced the acid's molecular weight and increased its solubility in pyridine, but treatment with ZnI/sub 2/ was ineffective; (4) in comparison with 0.1 M K/sub 2/S/sub 2/O/sub 8/, 0.01 M persulfate is relatively ineffective in accelerating oxidation of BnNH/sub 2/-extracted coal in water suspension. 2 figures, 3 tables.

  3. Influence of irradiation by a novel CO2 9.3-μm short-pulsed laser on sealant bond strength.

    PubMed

    Rechmann, P; Sherathiya, K; Kinsel, R; Vaderhobli, R; Rechmann, B M T

    2017-04-01

    The objective of this in vitro study was to evaluate whether irradiation of enamel with a novel CO2 9.3-μm short-pulsed laser using energies that enhance caries resistance influences the shear bond strength of composite resin sealants to the irradiated enamel. Seventy bovine and 240 human enamel samples were irradiated with a 9.3-μm carbon dioxide laser (Solea, Convergent Dental, Inc., Natick, MA) with four different laser energies known to enhance caries resistance or ablate enamel (pulse duration from 3 μs at 1.6 mJ/pulse to 43 μs at 14.9 mJ/pulse with fluences between 3.3 and 30.4 J/cm(2), pulse repetition rate between 4.1 and 41.3 Hz, beam diameter of 0.25 mm and 1-mm spiral pattern, and focus distance of 4-15 mm). Irradiation was performed "freehand" or using a computerized, motor-driven stage. Enamel etching was achieved with 37% phosphoric acid (Scotchbond Universal etchant, 3M ESPE, St. Paul, MN). As bonding agent, Adper Single Bond Plus was used followed by placing Z250 Filtek Supreme flowable composite resin (both 3M ESPE). After 24 h water storage, a single-plane shear bond test was performed (UltraTester, Ultradent Products, Inc., South Jordan, UT). All laser-irradiated samples showed equal or higher bond strength than non-laser-treated controls. The highest shear bond strength values were observed with the 3-μs pulse duration/0.25-mm laser pattern (mean ± SD = 31.90 ± 2.50 MPa), representing a significant 27.4% bond strength increase over the controls (25.04 ± 2.80 MPa, P ≤ 0.0001). Two other caries-preventive irradiation (3 μs/1 mm and 7 μs/0.25 mm) and one ablative pattern (23 μs/0.25 mm) achieved significantly increased bond strength compared to the controls. Bovine enamel also showed in all test groups increased shear bond strength over the controls. Computerized motor-driven stage irradiation did not show superior bond strength values over the clinically more relevant freehand irradiation. Enamel

  4. An esthetic solution for single-implant restorations - type III porcelain veneer bonded to a screw-retained custom abutment: a clinical report.

    PubMed

    Magne, Pascal; Magne, Michel; Jovanovic, Sascha A

    2008-01-01

    A new esthetic solution to restore dental implants in combination with limited interdental, facial or labial, or interocclusal space is presented. This article describes the translational application of novel-design porcelain veneers and adhesive restorative principles in the implant realm. A patient is presented who was treated with a single implant-supported restoration replacing a missing mandibular lateral incisor and partially collapsed interdental space. A screw-retained custom metal ceramic abutment was combined with a bonded porcelain restoration. This unique design was motivated by the limited restorative space and subgingival implant shoulder. It was also developed as a solution to the interference of the screw-access channel with the incisal edge, therefore providing the surgeon with more options during implant axis selection. The porcelain-to-porcelain adhesive approach was used instead of traditional principles of retention and resistance form of the abutment.

  5. Novel pyrenehexafluoroisopropanol derivative-decorated single-walled carbon nanotubes for detection of nerve agents by strong hydrogen-bonding interaction.

    PubMed

    Kong, Lingtao; Wang, Jin; Luo, Tao; Meng, Fanli; Chen, Xing; Li, Mingqiang; Liu, Jinhuai

    2010-02-01

    Fabrication of hybridized single-walled carbon nanotube (SWNT) device based on novel sensing material N-4-Hexafluoroisopropanolphenyl-1-pyrenebutyramide (HFIPP) via facile approach has been reported for the first time. Considered that strong hydrogen-bonding can be formed between HFIPP and dimethyl methylphosphonate (DMMP) (simulant of nerve agent sarin), the HFIPP-decorated SWNT device has been employed to detect DMMP. The detection limit achieved with our sensor is as low as 50 ppb; moreover, the response and reproducibility can be presented clearly even at very low concentration of DMMP. Excellent sensitivity and selectivity of the hybridized SWNT-HFIPP device suggest that it has great potential application for detecting explosives and nerve agents. In order to investigate sensing mechanism of SWNT-HFIPP for DMMP, control electrical and fluorescent experiments have been carried out and discussed in the present paper.

  6. Identification and cleavage of breakable single bonds by selective oxidation, reduction, and hydrolysis. Quarterly report No. 13, October 1-December 31, 1981

    SciTech Connect

    Hirschon, A.S.; Zevely, J.; Mayo, F.R.

    1982-02-26

    Bituminous coal is assumed to consist mostly of aggregates of condensed aromatic and aliphatic rings which are connected and made soluble by crosslinks containing single bonds. The objective of this project is to determine the structure of bituminous coal with emphasis on the crosslinks and breakable single bonds. During this past quarter the following studies were conducted on Illinois No. 6 coal: extraction with benzylamine (BnH/sub 2/), ethanolamine, ethylenediamine (EDA), pyridine; saponification of some toluene-insoluble, pyridine-soluble (TIPS) fraction; cleavages by amines; oxidation with aqueous NaOCl of butylated and methylated pyridine-extracted coal; decarboxylation on black acids. The investigations dealt with two kinds of connecting links in coal, which are designated as ester and ether groups. The ester groups are cleaved by strongly basic amines (to give amides) at 25/sup 0/C and by alcoholic KOH at 100/sup 0/C (to give salts and alcohols or phenols). Both esters and ethers are cleaved by HI or ZnCL/sub 2/ in pyridine at or below 50/sup 0/C. The ethers are also cleaved by BnNH/sub 2/, EDA, and EDA/DMSO to nearly the same extent on several days heating at 100/sup 0/C. Although a cleavage of model ethers by amines were not established, the parallel easy reactions of HI and ZnCl/sub 2/ and the slow 100/sup 0/C reactions of amines on coal lead the authors to designate the non-ester cleavages as ether cleavages. (ATT)

  7. Identification and cleavage of breakable single bonds by selective oxidation, reduction, and hydrolysis. Quarterly report No. 12, June 1-September 30, 1981

    SciTech Connect

    Hirschon, A.S.; Zevely, J.; Mayo, F.R.

    1981-11-12

    We assume that bituminous coal consists mostly of an aggregate of condensed aromatic and aliphatic rings, connected and made insoluble (but swellable) by crosslinks containing single bonds. The objective of this project is to determine the proportions of the various kinds of connecting links and how they can best be broken - in other words, to determine the structure of bituminous coal, with emphasis on the crosslinks and breakable single bonds. The program began with an investigation of the structure of the TIPS fraction of Illinois No. 6 coal, that is, the two-thirds of the 16% extracted by pyridine that is toluene-insoluble, pyridine-soluble, mostly through changes in molecular weight during cleavage reactions in pyridine solution. The most promising of these cleavage reactions are now being applied to the 84% of coal that is insoluble in pyridine and presents the main problem in coal liquefaction, following the progress of the reactions by formation of soluble material and swelling of the insoluble portion. We found that benzylamine (BnNH/sub 2/) would extract an additional 14% (of the original weight of coal) of material from pyridine-extracted coal, and later that an ethylenediamine/dimethyl sulfoxide (EDA/DMSO) mixture would dissolve another 21% of the original coal. The BnNH/sub 2/ extract is soluble in pyridine. Our best present guess is that the BnNH/sub 2/ extract cleaves most of the ester groups in coal and that EDA/DMSO cleaves the remaining ester and most of the ether groups.

  8. Approach to thermal properties and electronic polarizability from average single bond strength in ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses

    SciTech Connect

    Inoue, Taisuke; Honma, Tsuyoshi; Dimitrov, Vesselin; Komatsu, Takayuki

    2010-12-15

    The glass transition temperature (T{sub g}), density, refractive index, Raman scattering spectra, and X-ray photoelectron spectra (XPS) for xZnO-yBi{sub 2}O{sub 3}-zB{sub 2}O{sub 3} glasses (x=10-65, y=10-50, z=25-60 mol%) are measured to clarify the bonding and structure features of the glasses with large amounts of ZnO. The average electronic polarizability of oxide ions ({alpha}{sub O2-}) and optical basicity ({Lambda}) of the glasses estimated using Lorentz-Lorenz equation increase with increasing ZnO or Bi{sub 2}O{sub 3} content, giving the values of {alpha}{sub O2-}=1.963 A{sup 3} and {Lambda}=0.819 for 60ZnO-10Bi{sub 2}O{sub 3}-30B{sub 2}O{sub 3} glass. The formation of B---O---Bi and B---O---Zn bridging bonds in the glass structure is suggested from Raman and XPS spectra. The average single bond strength (B{sub M---O}) proposed by Dimitrov and Komatsu is applied to the glasses and is calculated using single bond strengths of 150.6 kJ/mol for Zn---O bonds in ZnO{sub 4} groups, 102.5 kJ/mol for Bi---O bonds in BiO{sub 6} groups, 498 kJ/mol for B---O bonds in BO{sub 3} groups, and 373 kJ/mol for B---O bonds in BO{sub 4} groups. Good correlations are observed between T{sub g} and B{sub M---O}, {Lambda} and B{sub M---O}, and T{sub g} and {Lambda}, proposing that the average single bond strength is a good parameter for understanding thermal and optical properties of ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses. -- Graphical abstract: This figure shows the correlation between optical basicity {Lambda} and average single bond strength B{sub M---O} in ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses. A good correlation is observed, proposing that the average single bond strength is a good parameter for understanding optical properties of ZnO---Bi{sub 2}O{sub 3}---B{sub 2}O{sub 3} glasses. Display Omitted

  9. 21 CFR 1005.23 - Bonds.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... IMPORTATION OF ELECTRONIC PRODUCTS Bonding and Compliance Procedures § 1005.23 Bonds. The bond required under section 360(b) of the Act shall be executed by the owner or consignee on the appropriate form of a customs single-entry bond, customs Form 7551 or term bond, customs Form 7553 or 7595, containing a condition...

  10. Fundamentals of fiber bonding in thermally point-bonded nonwovens

    NASA Astrophysics Data System (ADS)

    Chidambaram, Aparna

    Thermal point bonding (TPB) uses heat and pressure to bond a web of fibers at discrete points imparting strength to the manufactured fabric. This process significantly reduces the strength and elongation of the bridging fibers between bond points while strengthening the web. Single fiber experiments were performed with four structurally different polypropylene fibers to analyze the inter-relationships between fiber structure, fiber properties and bonding process. Two fiber types had a low birefringence sheath or surface layer while the remaining had uniform birefringence profiles through their thickness. Bonds were formed between isolated pairs of fibers by subjecting the fibers to a calendering process and simulating TPB process conditions. The dependence of bond strength on bonding temperature and on the type of fiber used was evaluated. Fiber strengths before and after bonding were measured and compared to understand the effect of bonding on fiber strength. Additionally, bonded fiber strength was compared to the strength of single fibers which had experienced the same process conditions as the bonded pairs. This comparison estimated the effect of mechanical damage from pressing fibers together with steel rolls while creating bonds in TPB. Interfiber bond strength increased with bonding temperature for all fiber types. Fiber strength decreased with increasing bonding temperature for all fiber types except for one type of low birefringent sheath fibers. Fiber strength degradation was unavoidable at temperatures required for successful bonding. Mechanical damage from compression of fibers between rolls was an insignificant factor in this strength loss. Thermal damage during bonding was the sole significant contributor to fiber strength degradation. Fibers with low birefringence skins formed strong bonds with minimal fiber strength loss and were superior to fibers without such surface layers in TPB performance. A simple model to predict the behavior of a two-bond

  11. Probing Heterogeneity and Bonding at Silica Surfaces through Single-Molecule Investigation of Base-Mediated Linkage Failure.

    PubMed

    Lupo, Katherine M; Hinton, Daniel A; Ng, James D; Padilla, Nicolas A; Goldsmith, Randall H

    2016-09-13

    The nature of silica surfaces is relevant to many chemical systems, including heterogeneous catalysis and chromatographies utilizing functionalized-silica stationary phases. Surface linkages must be robust to achieve wide and reliable applicability. However, silyl ether-silica support linkages are known to be susceptible to detachment when exposed to basic conditions. We use single-molecule spectroscopy to examine the rate of surface linkage failure upon exposure to base at a variety of deposition conditions. Kinetic analysis elucidates the role of thermal annealing and addition of blocking layers in increasing stability. Critically, it was found that successful surface modification strategies alter the rate at which base molecules approach the silica surface as opposed to reducing surface linkage reactivity. Our results also demonstrate that the innate structural diversity of the silica surface is likely the cause of observed heterogeneity in surface-linkage disruption kinetics.

  12. Bonded semiconductor substrate

    DOEpatents

    Atwater, Jr.; Harry A. , Zahler; James M.

    2010-07-13

    Ge/Si and other nonsilicon film heterostructures are formed by hydrogen-induced exfoliation of the Ge film which is wafer bonded to a cheaper substrate, such as Si. A thin, single-crystal layer of Ge is transferred to Si substrate. The bond at the interface of the Ge/Si heterostructures is covalent to ensure good thermal contact, mechanical strength, and to enable the formation of an ohmic contact between the Si substrate and Ge layers. To accomplish this type of bond, hydrophobic wafer bonding is used, because as the invention demonstrates the hydrogen-surface-terminating species that facilitate van der Waals bonding evolves at temperatures above 600.degree. C. into covalent bonding in hydrophobically bound Ge/Si layer transferred systems.

  13. The Effect of Different Disinfecting Agents on Bond Strength of Resin Composites

    PubMed Central

    Mohammed Hassan, Ahmed; Ali Goda, Ahmed; Baroudi, Kusai

    2014-01-01

    Objective. The aim of this study was to evaluate the effect of different disinfectant agents on bond strength of two types of resin composite materials. Methods. A total of 80 sound posterior teeth were used. They were divided into four groups (n = 20) according to the dentin surface pretreatment (no treatment, chlorhexidine gluconate 2%, sodium hypochlorite 4%, and EDTA 19%). Each group was divided into two subgroups according to the type of adhesive (prime and bond 2.1 and Adper easy one). Each subgroup was further divided into two subgroups according to the type of resin composite (TPH spectrum and Tetric EvoCeram). Shear bond strength between dentin and resin composite was measured using Universal Testing Machine. Data collected were statistically analyzed by t-test and one-way ANOVA followed by Tukey's post hoc test. Results. It was found that dentin treated with EDTA recorded the highest shear bond strength values followed by sodium hypochlorite and then chlorhexidine groups while the control group showed the lowest shear bond strength. Conclusions. The surface treatment of dentin before bonding application has a great effect on shear bond strength between resin composite and dentin surface. PMID:25477961

  14. Oxo-functionalization and reduction of the uranyl ion through lanthanide-element bond homolysis: synthetic, structural, and bonding analysis of a series of singly reduced uranyl-rare earth 5f1-4f(n) complexes.

    PubMed

    Arnold, Polly L; Hollis, Emmalina; Nichol, Gary S; Love, Jason B; Griveau, Jean-Christophe; Caciuffo, Roberto; Magnani, Nicola; Maron, Laurent; Castro, Ludovic; Yahia, Ahmed; Odoh, Samuel O; Schreckenbach, Georg

    2013-03-13

    The heterobimetallic complexes [{UO2Ln(py)2(L)}2], combining a singly reduced uranyl cation and a rare-earth trication in a binucleating polypyrrole Schiff-base macrocycle (Pacman) and bridged through a uranyl oxo-group, have been prepared for Ln = Sc, Y, Ce, Sm, Eu, Gd, Dy, Er, Yb, and Lu. These compounds are formed by the single-electron reduction of the Pacman uranyl complex [UO2(py)(H2L)] by the rare-earth complexes Ln(III)(A)3 (A = N(SiMe3)2, OC6H3Bu(t)2-2,6) via homolysis of a Ln-A bond. The complexes are dimeric through mutual uranyl exo-oxo coordination but can be cleaved to form the trimetallic, monouranyl "ate" complexes [(py)3LiOUO(μ-X)Ln(py)(L)] by the addition of lithium halides. X-ray crystallographic structural characterization of many examples reveals very similar features for monomeric and dimeric series, the dimers containing an asymmetric U2O2 diamond core with shorter uranyl U═O distances than in the monomeric complexes. The synthesis by Ln(III)-A homolysis allows [5f(1)-4f(n)]2 and Li[5f(1)-4f(n)] complexes with oxo-bridged metal cations to be made for all possible 4f(n) configurations. Variable-temperature SQUID magnetometry and IR, NIR, and EPR spectroscopies on the complexes are utilized to provide a basis for the better understanding of the electronic structure of f-block complexes and their f-electron exchange interactions. Furthermore, the structures, calculated by restricted-core or all-electron methods, are compared along with the proposed mechanism of formation of the complexes. A strong antiferromagnetic coupling between the metal centers, mediated by the oxo groups, exists in the U(V)Sm(III) monomer, whereas the dimeric U(V)Dy(III) complex was found to show magnetic bistability at 3 K, a property required for the development of single-molecule magnets.

  15. Single-walled carbon nanotube modification on photograft-polymerized nation films via covalent and ionic bonding.

    PubMed

    Yamaguchi, Yoshifumi; Nakashima, Naotoshi

    2009-01-01

    Acrylic acid (AAc) and diallyldimethylammonium chloride (DADMAc) were photograft-polymerized onto the surfaces of perfluorosulfonic acid (Nafion) membranes using 2,2'-azobis[N-(2-carboxyethyl)-2-methylpropionamide (ACMP) or Mohr's salt as a polymerization initiator. The degree of photografting changed from 1 wt% to 13.7 wt% depending on the experimental conditions (monomer, initiator and UV-light irradiation time). Shortened single-walled carbon nanotubes (s-SWNTs) prepared by a mixed acid treatment were immobilized in the grafted Nafion films by two different methods (methods A and B). Method A is a covalent-modification of the s-SWNTs with an acrylic acid (AAc)-photografted Nafion membrane in the presence of a diamine and a condensation reagent. Method B uses ion-complexation between the s-SWNTs with an anionic charge and a DADMAc-photografted Nafion film with a cationic charge. Based on the characterization of the hybrid materials by Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), it was found the s-SWNTs were immobilized into the photografted-Nafion films by both methods.

  16. Morphological effects of single-layer graphene oxide in the formation of covalently bonded polypyrrole composites using intermediate diisocyanate chemistry

    NASA Astrophysics Data System (ADS)

    Whitby, Raymond L. D.; Korobeinyk, Alina; Mikhalovsky, Sergey V.; Fukuda, Takahiro; Maekawa, Toru

    2011-10-01

    Single-layer graphene oxide (SLGO) possesses carboxylic and hydroxyl groups suitable for reactions with aliphatic or aromatic diisocyanate molecules. TEM analysis reveals that aliphatic diisocyanate molecules caused SLGO to scroll into star-like formations, whereas aromatic diisocyanate molecules retained SGLO in a flat-sheet morphology. TGA confirms the stabilisation of the formed urea and urethane groups on SLGO, but the onset of sheet pyrolysis occurs at a lower temperature due to isocyanate reactions with anhydride and epoxide groups embedded in the sheet. Pendant isocyanate groups act as bridging units to facilitate the attachment of pyrrole molecules, which are then used as anchor sites for the covalent polymerisation of pyrrole to polypyrrole (PPy). The use of FeCl3 as the polymerisation catalyst generated both covalent and free PPy, but also iron hydroxide nanoparticles were observed decorating the SLGO surface. When using ammonium persulfate as a catalyst and dodecylbenzenesulfonate as a dopant, free PPy could be removed under treatment with solvents to leave a purely covalent system. Discrete regions of SLGO were observed decorated with nanoparticles of PPy along the edge or across the surface of individual sheets. It was found that the flexibility of the SLGO sheet and the type of diisocyanate used directly affected the electrical resistance of the final composite.

  17. Water-processable polyaniline with covalently bonded single-walled carbon nanotubes: enhanced electrochromic properties and impedance analysis.

    PubMed

    Xiong, Shanxin; Wei, Jia; Jia, Pengtao; Yang, Liping; Ma, Jan; Lu, Xuehong

    2011-03-01

    Hybrid electrochromic materials were readily synthesized via copolymerization of aniline with p-phenylenediamine-functionalized single-walled carbon nanotubes (SWCNTs) in the presence of poly(styrene sulfonate) (PSS) dopant in an aqueous medium. Polyaniline (PANI)-grafted SWCNTs are formed, and they are uniformly dispersed in the PANI/PSS matrix. Impedance analysis shows that the charge-transfer resistances of the hybrids at all states are reduced drastically with increasing SWCNT loading. With 0.8 wt % SWCNTs, the charge-transfer resistances of the hybrid at +1.5 and -1.5 V are only about 20% and 12% of those of PANI/PSS, respectively, which is due to the greatly increased redox reactivity given by the enhanced electron transport in the hybrid and further doping function of the SWCNTs. The remarkable increase in redox reactivity leads to much enhanced electrochromic contrast from 0.34 for PANI to 0.47 for PANI-SWCNT-0.8%.

  18. The mobility of single-file water molecules is governed by the number of H-bonds they may form with channel-lining residues

    PubMed Central

    Horner, Andreas; Zocher, Florian; Preiner, Johannes; Ollinger, Nicole; Siligan, Christine; Akimov, Sergey A.; Pohl, Peter

    2015-01-01

    Channel geometry governs the unitary osmotic water channel permeability, pf, according to classical hydrodynamics. Yet, pf varies by several orders of magnitude for membrane channels with a constriction zone that is one water molecule in width and four to eight molecules in length. We show that both the pf of those channels and the diffusion coefficient of the single-file waters within them are determined by the number NH of residues in the channel wall that may form a hydrogen bond with the single-file waters. The logarithmic dependence of water diffusivity on NH is in line with the multiplicity of binding options at higher NH densities. We obtained high-precision pf values by (i) having measured the abundance of the reconstituted aquaporins in the vesicular membrane via fluorescence correlation spectroscopy and via high-speed atomic force microscopy, and (ii) having acquired the vesicular water efflux from scattered light intensities via our new adaptation of the Rayleigh-Gans-Debye equation. PMID:26167541

  19. The concept of bond order

    NASA Astrophysics Data System (ADS)

    Elliott, Robert J.; Richards, W. Graham

    A method for obtaining precise charge densities in defined regions of space from ab initio molecular wavefunctions is employed to place the concept of bond order on a firm theoretical footing. The bond orders obtained for carbon—carbon bonds in a range of organic compounds are assessed: those for buta-1,3-diene confirm that it consists of essentially localised double and single bonds.

  20. Sticker Bonding.

    ERIC Educational Resources Information Center

    Frazier, Laura Corbin

    2000-01-01

    Introduces a science activity on the bonding of chemical compounds. Assigns students the role of either a cation or anion and asks them to write the ions they may bond with. Assesses students' understanding of charge, bonding, and other concepts. (YDS)

  1. Facile Isolation of Adsorbent-Free Long and Highly-Pure Chirality-Selected Semiconducting Single-Walled Carbon Nanotubes Using A Hydrogen-bonding Supramolecular Polymer

    NASA Astrophysics Data System (ADS)

    Toshimitsu, Fumiyuki; Nakashima, Naotoshi

    2015-12-01

    The ideal form of semiconducting-single-walled carbon nanotubes (sem-SWNTs) for science and technology is long, defect-free, chirality pure and chemically pure isolated narrow diameter tubes. While various techniques to solubilize and purify sem-SWNTs have been developed, many of them targeted only the chiral- or chemically-purity while sacrificing the sem-SWNT intrinsic structural identities by applying strong ultra-sonication and/or chemical modifications. Toward the ultimate purification of the sem-SWNTs, here we report a mild-conditioned extraction of the sem-SWNTs using removable supramolecular hydrogen-bonding polymers (HBPs) that are composed of dicarboxylic- or diaminopyridyl-fluorenes with ~70%-(8,6)SWNT selective extraction. Replacing conventional strong sonication techniques by a simple shaking using HPBs was found to provide long sem-SWNTs (>2.0 μm) with a very high D/G ratio, which was determined by atomic force microscopy observations. The HBPs were readily removed from the nanotube surfaces by an outer stimulus, such as a change in the solvent polarities, to provide chemically pure (8,6)-enriched sem-SWNTs. We also describe molecular mechanics calculations to propose possible structures for the HBP-wrapped sem-SWNTs, furthermore, the mechanism of the chiral selectivity for the sorted sem-SWNTs is well explained by the relationship between the molecular surface area and mass of the HBP/SWNT composites.

  2. The role of glandular kallikrein in the formation of a salivary proline-rich protein A by cleavage of a single bond in salivary protein C.

    PubMed Central

    Wong, R S; Madapallimattam, G; Bennick, A

    1983-01-01

    An enzyme was purified from human parotid saliva that can cleave a single arginine-glycine peptide bond between residues 106 and 107 in human salivary proline-rich protein C, hereby giving rise to another proline-rich protein A, which is also found in saliva. The enzyme was purified 2400-fold. It cleaved salivary protein C at the rate of 59 micrograms of protein/h per microgram of enzyme and had amino acid composition, molecular weight and inhibition characteristics similar to those reported for human salivary kallikrein. Confirmation that the enzyme was kallikrein was demonstrated by its kinin-generating ability. Histochemical evidence indicates that a post-synthetic cleavage of protein C by kallikrein would have to take place during passage of saliva through the secretory ducts. In secreted saliva, cleavage of salivary protein C can only be observed after 72 h incubation. In addition, there is no effect of salivary flow rate on the relative amounts of proteins A and C in saliva. On the basis of the experimental observations, it is proposed that in vivo it is unlikely that kallikrein secreted from ductal cells plays a significant role in converting protein C into protein A. PMID:6553499

  3. A Semi-Analytical Method for Determining the Energy Release Rate of Cracks in Adhesively-Bonded Single-Lap Composite Joints

    NASA Technical Reports Server (NTRS)

    Yang, Charles; Sun, Wenjun; Tomblin, John S.; Smeltzer, Stanley S., III

    2007-01-01

    A semi-analytical method for determining the strain energy release rate due to a prescribed interface crack in an adhesively-bonded, single-lap composite joint subjected to axial tension is presented. The field equations in terms of displacements within the joint are formulated by using first-order shear deformable, laminated plate theory together with kinematic relations and force equilibrium conditions. The stress distributions for the adherends and adhesive are determined after the appropriate boundary and loading conditions are applied and the equations for the field displacements are solved. Based on the adhesive stress distributions, the forces at the crack tip are obtained and the strain energy release rate of the crack is determined by using the virtual crack closure technique (VCCT). Additionally, the test specimen geometry from both the ASTM D3165 and D1002 test standards are utilized during the derivation of the field equations in order to correlate analytical models with future test results. The system of second-order differential field equations is solved to provide the adherend and adhesive stress response using the symbolic computation tool, Maple 9. Finite element analyses using J-integral as well as VCCT were performed to verify the developed analytical model. The finite element analyses were conducted using the commercial finite element analysis software ABAQUS. The results determined using the analytical method correlated well with the results from the finite element analyses.

  4. Selective degradation of chemical bonds: from single-source molecular precursors to metallic Ag and semiconducting Ag2S nanocrystals via instant thermal activation.

    PubMed

    Tang, Qun; Yoon, Seok Min; Yang, Hyun Jin; Lee, Yoonmi; Song, Hyun Jae; Byon, Hye Ryung; Choi, Hee Cheul

    2006-03-14

    Selective formation of metallic Ag and semiconducting Ag(2)S nanocrystals has been achieved via a modified hot-injection process from a single-source precursor molecule, Ag(SCOPh), which can potentially generate both [Ag] and [AgS] fragments simultaneously. When the precursor molecules are injected into a preheated reaction system at 160 degrees C, spherical Ag(2)S nanocrystals are directly obtained even without a molecular activator, such as alkylamines. Mixtures of Ag and Ag(2)S or pure metallic Ag nanocrystals are obtained if the precursor molecules are injected at lower than 160 degrees C or room temperature. These results are attributed to the direct transfer of thermal energies to precursor molecules, which are enough to dissociate S-C as well as Ag-S bonds simultaneously. Detailed characterizations about the produced nanocrystals have been performed using powder X-ray diffraction (XRD), transmission electron microscopy (TEM), as well as energy-dispersive X-ray (EDX) spectrum.

  5. H-bonding scheme and cation partitioning in axinite: a single-crystal neutron diffraction and Mössbauer spectroscopic study

    NASA Astrophysics Data System (ADS)

    Gatta, G. Diego; Redhammer, Günther J.; Guastoni, Alessandro; Guastella, Giorgio; Meven, Martin; Pavese, Alessandro

    2016-05-01

    The crystal chemistry of a ferroaxinite from Colebrook Hill, Rosebery district, Tasmania, Australia, was investigated by electron microprobe analysis in wavelength-dispersive mode, inductively coupled plasma-atomic emission spectroscopy (ICP-AES), 57Fe Mössbauer spectroscopy and single-crystal neutron diffraction at 293 K. The chemical formula obtained on the basis of the ICP-AES data is the following: ^{X1,X2} {{Ca}}_{4.03} Y ( {{{Mn}}_{0.42} {{Mg}}_{0.23} {{Fe}}^{2 + }_{1.39} } )_{Σ 2.04} ^{Z1,Z2} ( {{{Fe}}^{3 + }_{0.15} {{Al}}_{3.55} {{Ti}}_{0.12} } )_{Σ 3.82} ^{T1,T2,T3,T4} ( {{{Ti}}_{0.03} {{Si}}_{7.97} } )_{Σ 8} ^{T5} {{B}}_{1.96} {{O}}_{30} ( {{OH}} )_{2.18} . The 57Fe Mössbauer spectrum shows unambiguously the occurrence of Fe2+ and Fe3+ in octahedral coordination only, with Fe2+/Fe3+ = 9:1. The neutron structure refinement provides a structure model in general agreement with the previous experimental findings: the tetrahedral T1, T2, T3 and T4 sites are fully occupied by Si, whereas the T5 site is fully occupied by B, with no evidence of Si at the T5, or Al or Fe3+ at the T1- T5 sites. The structural and chemical data of this study suggest that the amount of B in ferroaxinite is that expected from the ideal stoichiometry: 2 a.p.f.u. (for 32 O). The atomic distribution among the X1, X2, Y, Z1 and Z2 sites obtained by neutron structure refinement is in good agreement with that based on the ICP-AES data. For the first time, an unambiguous localization of the H site is obtained, which forms a hydroxyl group with the oxygen atom at the O16 site as donor. The H-bonding scheme in axinite structure is now fully described: the O16- H distance (corrected for riding motion effect) is 0.991(1) Å and an asymmetric bifurcated bonding configuration occurs, with O5 and O13 as acceptors [i.e. with O16··· O5 = 3.096(1) Å, H··· O5 = 2.450(1) Å and O16- H··· O5 = 123.9(1)°; O16··· O13 = 2.777(1) Å, H··· O13 = 1.914(1) Å and O16- H··· O13 = 146

  6. Overexpression of the rhodanese PspE, a single cysteine-containing protein, restores disulfide bond formation to an Escherichia coli strain lacking DsbA

    PubMed Central

    Chng, Shu-Sin; Dutton, Rachel J.; Denoncin, Katleen; Vertommen, Didier; Collet, Jean-Francois; Kadokura, Hiroshi; Beckwith, Jonathan

    2012-01-01

    Summary Escherichia coli uses the DsbA/DsbB system for introducing disulfide bonds into proteins in the cell envelope. Deleting either dsbA or dsbB or both reduces disulfide bond formation but does not entirely eliminate it. Whether such background disulfide bond forming activity is enzyme-catalyzed is not known. To identify possible cellular factors that might contribute to the background activity, we studied the effects of overexpressing endogenous proteins on disulfide bond formation in the periplasm. We find that overexpressing PspE, a periplasmic rhodanese, partially restores substantial disulfide bond formation to a dsbA strain. This activity depends on DsbC, the bacterial disulfide bond isomerase, but not on DsbB. We show that overexpressed PspE is oxidized to the sulfenic acid form and reacts with substrate proteins to form mixed disulfide adducts. DsbC either prevents the formation of these mixed disulfides or resolves these adducts subsequently. In the process, DsbC itself gets oxidized and proceeds to catalyze disulfide bond formation. Although this PspE/DsbC system is not responsible for the background disulfide bond forming activity, we suggest that it might be utilized in other organisms lacking the DsbA/DsbB system. PMID:22809289

  7. Super high-energy density single-bonded trigonal nitrogen allotrope-a chemical twin of the cubic gauche form of nitrogen.

    PubMed

    Bondarchuk, Sergey V; Minaev, Boris F

    2017-02-17

    A new ambient-pressure metastable single-bonded 3D nitrogen allotrope (TrigN) of trigonal symmetry (space group R3[combining macron]) was calculated using density functional theory (DFT). A comprehensive characterization of this material, comprising thermodynamic, elastic, and spectral (vibrational, UV-vis absorption, and nuclear magnetic resonance) properties, was performed. Using high-throughput band structure calculation, the TrigN phase was characterized as an insulator with an indirect band gap of 2.977 eV. Phonon dispersion calculations justified that this structure is vibrationally stable at ambient pressure. The calculated Raman activities at the Γ-point demonstrated a rich pattern, whereas no relatively intense transitions were observed in its IR absorption spectrum. The TrigN material is almost transparent to visible light as well as to ultraviolet A and B. The main absorption peaks appeared within the range of 50-200 nm. The electron arrangement of the nitrogen nuclei in the studied nitrogen allotrope is much denser compared to that of the molecular nitrogen, which is in agreement with the calculated magnetic shielding tensor values. Robust mechanical stability is revealed from the elastic constants calculation. Due to strong anisotropy, the values of the Young's moduli vary from 281 to 786 GPa. A huge amount of internal energy is enclosed in the TrigN material. Upon decomposition to molecular nitrogen, the energy release is expected to be 11.01 kJ g(-1) compared to the value of 10.22 kJ g(-1) for the cubic gauche form of nitrogen. The TrigN allotrope possesses unique detonation characteristics with a detonation pressure of 146.06 GPa and velocity of 15.86 km s(-1).

  8. Online, efficient and precision laser profiling of bronze-bonded diamond grinding wheels based on a single-layer deep-cutting intermittent feeding method

    NASA Astrophysics Data System (ADS)

    Deng, Hui; Chen, Genyu; He, Jie; Zhou, Cong; Du, Han; Wang, Yanyi

    2016-06-01

    In this study, an online, efficient and precision laser profiling approach that is based on a single-layer deep-cutting intermittent feeding method is described. The effects of the laser cutting depth and the track-overlap ratio of the laser cutting on the efficiency, precision and quality of laser profiling were investigated. Experiments on the online profiling of bronze-bonded diamond grinding wheels were performed using a pulsed fiber laser. The results demonstrate that an increase in the laser cutting depth caused an increase in the material removal efficiency during the laser profiling process. However, the maximum laser profiling efficiency was only achieved when the laser cutting depth was equivalent to the initial surface contour error of the grinding wheel. In addition, the selection of relatively high track-overlap ratios of laser cutting for the profiling of grinding wheels was beneficial with respect to the increase in the precision of laser profiling, whereas the efficiency and quality of the laser profiling were not affected by the change in the track-overlap ratio. After optimized process parameters were employed for online laser profiling, the circular run-out error and the parallelism error of the grinding wheel surface decreased from 83.1 μm and 324.6 μm to 11.3 μm and 3.5 μm, respectively. The surface contour precision of the grinding wheel significantly improved. The highest surface contour precision for grinding wheels of the same type that can be theoretically achieved after laser profiling is completely dependent on the peak power density of the laser. The higher the laser peak power density is, the higher the surface contour precision of the grinding wheel after profiling.

  9. Effects of alkoxy groups on arene rings of lignin β-O-4 model compounds on the efficiencies of single electron transfer-promoted photochemical and enzymatic C-C Bond Cleavage Reactions.

    PubMed

    Lim, Suk Hyun; Nahm, Keepyung; Ra, Choon Sup; Cho, Dae Won; Yoon, Ung Chan; Latham, John A; Dunaway-Mariano, Debra; Mariano, Patrick S

    2013-09-20

    To gain information about how alkoxy substitution in arene rings of β-O-4 structural units within lignin governs the efficiencies/rates of radical cation C1-C2 bond cleavage reactions, single electron transfer (SET) photochemical and lignin peroxidase-catalyzed oxidation reactions of dimeric/tetrameric model compounds have been explored. The results show that the radical cations derived from less alkoxy-substituted dimeric β-O-4 models undergo more rapid C1-C2 bond cleavage than those of more alkoxy-substituted analogues. These findings gained support from the results of DFT calculations, which demonstrate that C1-C2 bond dissociation energies of β-O-4 radical cations decrease as the degree of alkoxy substitution decreases. In SET reactions of tetrameric compounds consisting of two β-O-4 units, containing different degrees of alkoxy substitution, regioselective radical cation C-C bond cleavage was observed to occur in one case at the C1-C2 bond in the less alkoxy-substituted β-O-4 moiety. However, regioselective C1-C2 cleavage in the more alkoxy-substituted β-O-4 moiety was observed in another case, suggesting that other factors might participate in controlling this process. These observations show that lignins containing greater proportions of less rather than more alkoxylated rings as part of β-O-4 units would be more efficiently cleaved by SET mechanisms.

  10. Evaluation of single liquid primers with organic sulfur compound for bonding between indirect composite material and silver-palladium-copper-gold alloy.

    PubMed

    Shimoe, Saiji; Tanoue, Naomi; Satoda, Takahiro; Murayama, Takeshi; Nikawa, Hiroki; Matsumura, Hideo

    2010-01-01

    The purpose of this study was to evaluate the effect of primers on bonding between a silver-palladium-copper-gold alloy and an indirect composite material. Cast disks were air-abraded with alumina, conditioned with one of five primers (Alloy Primer, Luna-Wing Primer, Metal Primer II, Metaltite, M.L. Primer), and bonded with a light-activated indirect composite. Shear bond strengths were determined after 20,000 times of thermocycling. The results showed that four of the primers, except the Luna-Wing Primer, were effective in enhancing the bond strength as compared with the unprimed control group. Of these four primers, Alloy Primer, Metal Primer II, and M.L. Primer exhibited significantly greater bond strengths. It can be concluded that the effectiveness of primers varies considerably according to the organic sulfur compounds added to the solvent, and that care must be taken in selecting priming agents for bonding the composite material and the silver-palladium-copper-gold alloy.

  11. Better Bonded Ethernet Load Balancing

    SciTech Connect

    Gabler, Jason

    2006-09-29

    When a High Performance Storage System's mover shuttles large amounts of data to storage over a single Ethernet device that single channel can rapidly become saturated. Using Linux Ethernet channel bonding to address this and similar situations was not, until now, a viable solution. The various modes in which channel bonding could be configured always offered some benefit but only under strict conditions or at a system resource cost that was greater than the benefit gained by using channel bonding. Newer bonding modes designed by various networking hardware companies, helpful in such networking scenarios, were already present in their own switches. However, Linux-based systems were unable to take advantage of those new modes as they had not yet been implemented in the Linux kernel bonding driver. So, except for basic fault tolerance, Linux channel bonding could not positively combine separate Ethernet devices to provide the necessary bandwidth.

  12. Phosphoric acid esters cannot replace polyvinylphosphonic acid as phosphoprotein analogs in biomimetic remineralization of resin-bonded dentin

    PubMed Central

    Mai, Sui; Kim, Young Kyung; Toledano, Manuel; Breschi, Lorenzo; Ling, Jun Qi; Pashley, David H.; Tay, Franklin R.

    2009-01-01

    Polyvinylphosphonic acid (PVPA), a biomimetic analog of phosphoproteins, is crucial for recruiting polyacrylic acid (PAA)-stabilized amorphous calcium phosphate nanoprecursors during biomimetic remineralization of dentin collagen matrices. This study tested the null hypothesis that phosphoric acid esters of methacrylates in dentin adhesives cannot replace PVPA during bimimetic remineralization of resin-dentin interfaces. Human dentin specimens were bonded with: I) XP Bond, an etch-and-rinse adhesive using moist bonding; II) XP Bond using dry bonding; and III) Adper Prompt L-Pop, a self-etching adhesive. The control medium contained only set Portland cement and a simulated body fluid (SBF) without any biomimetic analog. Two experimental Portland cement/SBF remineralization media were evaluated: the first contained PAA as the sole biomimetic analog, the second contained PAA and PVPA as dual biomimetic analogs. No remineralization of the resin-dentin interfaces could be identified from specimens immersed in the control medium. After 2–4 months in the first experimental medium, specimens exhibited either no remineralization or large crystal formation within hybrid layers. Only specimens immersed in the second remineralization medium produced nanocrystals that accounted for intrafibrillar remineralization within hybrid layers. The null hypothesis could not be rejected; phosphoric acid esters in dentin adhesives cannot replace PVPA during biomimetic remineralization of adhesive-bonded dentin. PMID:19481792

  13. Effects of Platinum Additions and Sulfur Impurities on the Microstructure and Scale Adhesion Behavior of Single-Phase CVD Aluminide Bond Coatings

    SciTech Connect

    Cooley, K.M.; Haynes, J.A.; Lee, W.Y.; Pint, B.A.; Wright, I.G.; Zhang, Y.

    1999-02-28

    The adhesion of alumina scales to aluminide bond coats is a life-limiting factor for some advanced thermal barrier coating systems. This study investigated the effects of aluminide bond coat sulfur and platinum contents on alumina scale adhesion and coating microstructural evolution during isothermal and cyclic oxidation testing at 1150 C. Low-sulfur NiAl and NiPtAl bond coats were fabricated by chemical vapor deposition (CVD). Lowering the sulfur contents of CVD NiAl bond coatings significantly improved scale adhesion, but localized scale spallation eventually initiated along coating grain boundaries. Further improvements in scale adhesion were obtained with Pt additions. The observed influences of Pt additions included: (1) mitigation of the detrimental effects of high sulfur levels, (2) drastic reductions in void growth along the scale-metal interface, (3) alteration of the oxide-metal interface morphology, and (4) elimination of Ta-rich oxides in the Al{sub 2}O{sub 3} scales during thermal cycling. The results of this study also suggested that the microstructure (especially the grain size) of CVD aluminide bond coatings plays a significant role in scale adhesion.

  14. Comparison of Push-out Bond Strength of Gutta-percha to Root Canal Dentin in Single-cone and Cold Lateral Compaction Techniques with AH Plus Sealer in Mandibular Premolars

    PubMed Central

    Mokhtari, Hadi; Rahimi, Saeed; Forough Reyhani, Mohammad; Galledar, Saeedeh; Mokhtari Zonouzi, Hamid Reza

    2015-01-01

    Background and aims. The single-cone technique has gained some popularity in some European countries. The aim of the present study was to compare the push-out bond strength of gutta-percha to root canal dentin with the single-cone and cold lateral compaction canal obturation techniques. Materials and methods. The root canals of 58 human mandibular premolars were prepared using modified crown-down technique with ProTaper rotary files up to #F3as a master apical file (MAF) and divided randomly into groups A and B based on canal obturation technique. In group A (n = 29) the root canals were obturated with single-cone technique with #F3(30/.09) ProTaper gutta-percha, which was matched with MAF in relation to diameter, taper and manufacturer; in group B (n = 29) the canals were obturated with gutta-percha using cold lateral compaction technique. In both groups AH plus sealer were used. After two weeks of incubation, three 2-mm slices were prepared at a distance of 2 mm from the coronal surface and push-out test was carried out. Data were analyzed with descriptive statistics using independent samples t-test. Results. There were statistically significant differences between two groups. The mean push-out bond strength was higher in group B (lateral compaction technique) compared to group A (single-cone technique; P < 0.05). Conclusion. Use of single-cone technique for obturation of root canals resulted in a lower bond strength compared to cold lateral compaction technique. PMID:26889358

  15. Effect of MTAD on the shear bond strength of self-etch adhesives to dentin

    PubMed Central

    Mortazavi, Vajihesadat; Khademi, Abbasali; Khosravi, Kazem; Fathi, Mohammadhossein; Ebrahimi–Chaharom, Mohammadesmaeil; Shahnaseri, Shirin; Khalighinejad, Navid; Badrian, Hamid

    2012-01-01

    Background: As the use of different irrigants to eliminate residual debris and smear layer in the field of endodontic is unavoidable, by considering the effect of irrigants on the bond strength of resin composite restorations, this study was designed to evaluate the effect of a mixture of a tetracycline isomer, an acid, and a detergent (MTAD) on the shear bond strength of two self-etch adhesives, Clearfil SE Bond and Adper Prompt L- Pop to dentin. Materials and Methods: The crowns of 80 extracted premolars were transversally sectioned to expose dentin. Flat dentin surfaces were wet abraded with 320-grit abrasive paper and randomly assigned to eight groups according to two self-etch adhesive and four dentin surface treatments: direct application over smear layer (no treatment), etching with 35% phosphoric acid for 15s, 1 min 5.25% NaOCl/1 min MTAD and 20min 1.3% NaOCl/5min MTAD. Shear bond strength was tested 24 h after storage in distilled water at 37°C in incubator. Data were analyzed using one-way ANOVA followed by duncan post-hoc (α=0.05). Results: Phosphoric acid etching prior to SE Bond application significantly decreased the shear bond strength to dentin (P<0.05). Application of MTAD clinical protocol (20min 1.3% NaOCl/5min MTAD) did not significantly decrease the shear bond strength of self-etch adhesives to dentin (P=0.745) Conclusions: Based on the results of present investigation, it seems that the use of clinical protocol of 1.3% NaOCl as a root canal irrigant and a 5-min application of MTAD as a final rinse to remove the smear layer has no adverse effect on the shear bond strength of self-etch adhesives to dentin. PMID:22363359

  16. Evaluation of Shear Bond Strength of Newer Bonding Systems on Superficial and Deep Dentin

    PubMed Central

    Kumari, R Veena; Siddaraju, Kishore; Nagaraj, Hema; Poluri, Ramya Krishna

    2015-01-01

    Background: The purpose of this study was to compare the shear bond strength of nanocomposite resin to superficial dentin and deep dentin using two different dentin bonding systems. Materials and Methods: All teeth were sectioned at various levels (superficial dentin: Dentin within 0.5-1 mm of dentinoenamel junction; deep dentin: Dentin within 0.5 mm of the highest pulp horn) using a Carborundum Disc and embedded in acrylic block of specific size. Selected specimens (60 premolar teeth) were grouped randomly into three groups, the groups were differentiated into superficial dentin, deep dentin, and control group which were further divided into sub Group A and Subgroup B containing 10 teeth each, depending on the bonding agents used. In Subgroup A, Tetric N Bond, and in Subgroup B Single Bond Universal were used. In the control group no bonding agent was used. The specimens were thermocycled for 500 cycles between 5°C and 55°C water bath for 40 s. Finally, the specimens were subjected to shear bond strength study under INSTRON machine (Universal Testing Machine). The maximum shear bond strengths were noted at the time of fracture (de-bonding) of the restorative material. Results were analyzed using ANOVA test, Bonferroni test, and paired t-test. Results: Bond strength values of fifth generation bonding system (Tetric N Bond) showed higher mean shear bond strength compared to seventh generation bonding system (Single Bond Universal). There was a significant fall in bond strength values as one reaches deeper levels of dentin from superficial to deep dentin. Conclusion: There was a significant difference between the bond strength of fifth generation bonding system (Tetric N Bond) and seventh generation bonding system (Single Bond Universal). Decrease in the bond strength values is seen for the deeper level of dentin as compared to superficial dentin. PMID:26435613

  17. SU-8- and PDMS-based hybrid fabrication technology for combination of permanently bonded flexible and rigid features on a single device

    NASA Astrophysics Data System (ADS)

    Patel, Jasbir N.; Gray, Bonnie L.; Kaminska, Bozena; Wu, Nien-Chen; Gates, Byron D.

    2013-06-01

    In this article, a novel hybrid fabrication technology is presented that uses both a flexible polymer (polydimethylsiloxane--PDMS) and a rigid polymer (SU-8). A covalent bond between the flexible and rigid polymer layers is achieved using an oxygen plasma treatment during a layer-by-layer direct spin-on process. Precise alignment of the features in each layer and a highly repeatable method are achieved by this new process. As a proof-of-concept, we successfully fabricated PDMS-based flexible microfluidic devices with SU-8-based rigid world-to-chip/chip-to-world interconnects. The bond strength between the PDMS and SU-8 layers is measured by three methods: (1) Instron® microtester to pull apart the layers; (2) voice coil actuator to test the bond between interconnects and the substrate; and (3) microfluidic pressurization test to evaluate the bond strength along the channels. The bond strength between the flexible PDMS layer and the rigid SU-8 features is very strong; the bond between these two polymers does not fail during these evaluations although the integrity of the PDMS layer itself fails during the microtester evaluation. Additionally, the layer-by-layer direct spin-on process resulted in a repeatable process and precise alignment of the features in each layer, which are necessary in order to achieve consistent performance from the fabricated devices. The rigid SU-8 interconnects fabricated onto a flexible PDMS device serve as a world-to-chip/chip-to-world interconnects for the direct connection with Tygon® tubing. Three different designs of hybrid (PDMS and SU-8 based) microfluidic devices are designed, fabricated and tested. Each variation differed in the microchannel design in order to demonstrate the versatility of the process to make devices on multiple scales and patterns. These hybrid microfluidic devices are capable of functioning without leakage up to pressures of 85.85 ±3.56 kPa. Although microfluidic channels with interconnects are shown as a

  18. Phase Transitions, Hydrogen Bond and Crystal Dynamics of p-Methylbenzyl Alcohol as Studied by Single Crystal X-ray Diffraction and 2H NMR

    NASA Astrophysics Data System (ADS)

    Hashimoto, Masao; Harada, Michiko; Mizunoa, Motohiro; Hamada, Masanori; Ida, Tomonori; Suhara, Masahiko

    2002-07-01

    The title compound (pMBA) was found to undergo a first-order phase transition at 211 K (Tc1). Another transition with subtle enthalpy change appeared at 172 K (Tc2). Crystal structure determinations at various temperatures revealed that the transition at Tc1 was accompanied by remarkable changes in the molecular conformations around the CH2-C and O-CH2 bonds and a reversal of the direction of the O-H O hydrogen bond. Experiments of 2H NMR were carried out on pMBA-d where the hydroxyl hydrogen of pMBA was selectively deuterated. Analyses of the 2H NMR spectra and the temperature dependence of T1 of the 2H NMR indicated occurrence of jumping motions of 2H between asymmetric potential wells at temperatures lower than Tc1

  19. Yankee bonds

    SciTech Connect

    Delaney, P. )

    1993-10-01

    Yankee and Euromarket bonds may soon find their way into the financing of power projects in Latin America. For developers seeking long-term commitments under build, own, operate, and transfer (BOOT) power projects in Latin America, the benefits are substantial.

  20. Conformers and hydrogen bonds in cytidine 5‧-diphosphocholine sodium single crystals grown from a mixture of ethanol and water

    NASA Astrophysics Data System (ADS)

    Du, Zhenxing; Hu, Yanan; Wang, Pei; Zhou, Jingwei; Xiong, Jian; Ying, Hanjie; Bai, Jianxin

    2011-01-01

    The molecular structure of cytidine 5'-diphosphocholine sodium (CDPC) grown from a mixture of ethanol and water was determined by X-ray diffraction (XRD). CDPC was found to have an orthorhombic structure with confirmed lattice parameters of a = 6.978 Å, b = 12.406 Å and c = 29.326 Å. This nucleotide coenzyme was highly folded and net-like. Each crystallographic unit consisted of one sodium atom, one pyrophosphate group, one cytosine group, one coordinated water molecule, one pentose molecule, and three lattice water molecules. The interspaces of neighboring CDPC molecules were filled with water molecules and methyl groups. Although the coordinated water was connected to sodium atoms, the lattice water molecules formed chair-shaped water hexamers. The hydrogen bonds which played an important role in maintaining the structure included O sbnd H···O, N sbnd H···O and C sbnd H···O and ranged in length from 2.682 (17) to 3.349 (17) Å. Fourier transform infrared spectroscopy (FTIR) showed a broad absorption in the 400-2000 cm -1 region characteristic of short hydrogen bonds. So for industrial crystallization, methods which could eliminate the influence of hydrogen bonds should be taken, and it would be beneficial for the process of crystallization.

  1. Push-out bond strengths of two fiber post types bonded with different dentin bonding agents.

    PubMed

    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.

  2. Cytotoxicity of one-step dentin-bonding agents toward dental pulp and odontoblast-like cells.

    PubMed

    Yasuda, Y; Inuyama, H; Maeda, H; Akamine, A; Nör, J E; Saito, T

    2008-12-01

    The purpose of this study was to compare the cytotoxicity of five one-step dentin-bonding agents on human dental pulp and odontoblast-like cells (MDPC-23). Photopolymerized and unpolymerized samples of these dentin-bonding agents were prepared and incubated with dental pulp or MDPC-23 cells. After 24 or 72 h of incubation, the number of unstained cells with trypan blue was counted. The staining of cells with trypan blue stands for a cytotoxicity. The pulp cell and MDPC-23 cytotoxicity of polymerized sample treatment increased in the order of AQ Bond Plus (AQ)Bond (TS)=G-bond (GB)Adper Prompt (AP) for 24 and 72 h. The pulp cell cytotoxicity of unpolymerized sample treatment for 24 h increased in the order of AQbonding agents exhibited lower cytotoxicity by 2-65% than their unpolymerized counterparts. The appearance of the cytotoxicity of dentin-bonding agents was time-dependent, and cell viability was lower at 72 h by 2-46% than at 24 h. The cytotoxicity to MDPC-23 cells was about 5-24% higher than that to pulp cells. These results indicate that one-step dentin-bonding agents differ markedly in their cytotoxicity. Differential cytotoxic effects of one-step dentin-bonding agents should be considered during clinical application of operative restoration.

  3. Diffusion bonding

    DOEpatents

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  4. 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)

  5. Bonded Lubricants

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Another spinoff to the food processing industry involves a dry lubricant developed by General Magnaplate Corp. of Linden, N.J. Used in such spacecraft as Apollo, Skylab and Viking, the lubricant is a coating bonded to metal surfaces providing permanent lubrication and corrosion resistance. The coating lengthens equipment life and permits machinery to be operated at greater speed, thus increasing productivity and reducing costs. Bonded lubricants are used in scores of commercia1 applications. They have proved particularly valuable to food processing firms because, while increasing production efficiency, they also help meet the stringent USDA sanitation codes for food-handling equipment. For example, a cookie manufacturer plagued production interruptions because sticky batter was clogging the cookie molds had the brass molds coated to solve the problem. Similarly, a pasta producer faced USDA action on a sanitation violation because dough was clinging to an automatic ravioli-forming machine; use of the anti-stick coating on the steel forming plates solved the dual problem of sanitation deficiency and production line downtime.

  6. The effect of various primers on shear bond strength of zirconia ceramic and resin composite

    PubMed Central

    Sanohkan, Sasiwimol; Kukiattrakoon, Boonlert; Larpboonphol, Narongrit; Sae-Yib, Taewalit; Jampa, Thibet; Manoppan, Satawat

    2013-01-01

    Aims: To determine the in vitro shear bond strengths (SBS) of zirconia ceramic to resin composite after various primer treatments. Materials and Methods: Forty zirconia ceramic (Zeno, Wieland Dental) specimens (10 mm in diameter and 2 mm thick) were prepared, sandblasted with 50 μm alumina, and divided into four groups (n = 10). Three experimental groups were surface treated with three primers; CP (RelyX Ceramic Primer, 3M ESPE), AP (Alloy Primer, Kuraray Medical), and MP (Monobond Plus, Ivoclar Vivadent AG). One group was not treated and served as the control. All specimens were bonded to a resin composite (Filtek Supreme XT, 3M ESPE) cylinder with an adhesive system (Adper Scotchbond Multi-Purpose Plus Adhesive, 3M ESPE) and then stored in 100% humidity at 37°C for 24 h before SBS testing in a universal testing machine. Mean SBS (MPa) were analyzed with one-way analysis of variance (ANOVA) and the Tukey's Honestly Significant Difference (HSD) test (α = 0.05). Results: Group AP yielded the highest mean and standard deviation (SD) value of SBS (16.8 ± 2.5 MPa) and Group C presented the lowest mean and SD value (15.4 ± 1.6 MPa). The SBS did not differ significantly among the groups (P = 0.079). Conclusions: Within the limitations of this study, the SBS values between zirconia ceramic to resin composite using various primers and untreated surface were not significantly different. PMID:24347881

  7. Effect of moisture, saliva, and blood contamination on the shear bond strength of brackets bonded with a conventional bonding system and self-etched bonding system

    PubMed Central

    Prasad, Mandava; Mohamed, Shamil; Nayak, Krishna; Shetty, Sharath Kumar; Talapaneni, Ashok Kumar

    2014-01-01

    Background: The success of bonding brackets to enamel with resin bonding systems is negatively affected by contamination with oral fluids such as blood and saliva. The new self-etch primer systems combine conditioning and priming agents into a single application, making the procedure more cost effective. Objective: The purpose of the study was to investigate the effect of moisture, saliva and blood contamination on shear bond strength of orthodontic brackets bonded with conventional bonding system and self-etch bonding system. Materials and Methods: Each system was examined under four enamel surface conditions (dry, water, saliva, and blood), and 80 human teeth were divided into two groups with four subgroups each of 10 according to enamel surface condition. Group 1 used conventional bonding system and Group 2 used self-etched bonding system. Subgroups 1a and 2a under dry enamel surface conditions; Subgroups 1b and 2b under moist enamel surface condition; Subgroups 3a and 3b under saliva enamel surface condition and Subgroup 4a and 4b under blood enamel surface condition. Brackets were bonded, and all the samples were then submitted to a shear bond test with a universal testing machine with a cross head speed of 1mm/sec. Results: The results showed that the contamination reduced the shear bond strength of all groups. In self-etch bonding system water and saliva had significantly higher bond strength when compared to other groups. Conclusion: It was concluded that the blood contamination showed lowest bond strength from both bonding systems. Self-etch bonding system resulted in higher bond strength than conventional bonding system under all conditions except the dry enamel surface. PMID:24678210

  8. Effect of indirect composite treatment microtensile bond strength of self-adhesive resin cements

    PubMed Central

    Escribano, Nuria; Baracco, Bruno; Romero, Martin; Ceballos, Laura

    2016-01-01

    Background No specific indications about the pre-treatment of indirect composite restorations is provided by the manufacturers of most self-adhesive resin cements. The potential effect of silane treatment to the bond strength of the complete tooth/indirect restoration complex is not available.The aim of this study was to determine the contribution of different surface treatments on microtensile bond strength of composite overlays to dentin using several self-adhesive resin cements and a total-etch one. Material and Methods Composite overlays were fabricated and bonding surfaces were airborne-particle abraded and randomly assigned to two different surface treatments: no treatment or silane application (RelyX Ceramic Primer) followed by an adhesive (Adper Scotchbond 1 XT). Composite overlays were luted to flat dentin surfaces using the following self-adhesive resin cements: RelyX Unicem, G-Cem, Speedcem, Maxcem Elite or Smartcem2, and the total-etch resin cement RelyX ARC. After 24 h, bonded specimens were cut into sticks 1 mm thick and stressed in tension until failure. Two-way ANOVA and SNK tests were applied at α=0.05. Results Bond strength values were significantly influenced by the resin cement used (p<0.001). However, composite surface treatment and the interaction between the resin cement applied and surface treatment did not significantly affect dentin bond strength (p>0.05). All self-adhesive resin cements showed lower bond strength values than the total-etch RelyX ARC. Among self-adhesive resin cements, RelyX Unicem and G-Cem attained statistically higher bond strength values. Smartcem2 and Maxcem Elite exhibited 80-90% of pre-test failures. Conclusions The silane and adhesive application after indirect resin composite sandblasting did not improve the bond strength of dentin-composite overlay complex. Selection of the resin cement seems to be a more relevant factor when bonding indirect composites to dentin than its surface treatment. Key words:Bond

  9. Semiclassical initial value representation treatment of a hydrogen bonded complex of rigid water molecules from a single trajectory in Cartesian coordinates.

    PubMed

    Issack, Bilkiss B; Roy, Pierre-Nicholas

    2007-10-14

    A semiclassical initial value representation approach for molecular systems in Cartesian coordinates is combined with a recently proposed time averaging technique [J. Chem. Phys. 118, 7174 (2003)]. It is shown that a single trajectory can yield the zero-point energy of the water dimer with good accuracy for the model chosen when compared to fully constrained Cartesian semiclassical calculations. The convergence with respect to the number of averaging time origins is discussed.

  10. Hydrogen bonded arrays: the power of multiple hydrogen bonds.

    PubMed

    Shokri, Alireza; Schmidt, Jacob; Wang, Xue-Bin; Kass, Steven R

    2012-02-01

    Hydrogen bond interactions in small covalent model compounds (i.e., deprotonated polyhydroxy alcohols) were measured by negative ion photoelectron spectroscopy. The experimentally determined vertical and adiabatic electron detachment energies for (HOCH(2)CH(2))(2)CHO(-)(2a), (HOCH(2)CH(2))(3)CO(-) (3a), and (HOCH(2)CH(2)CH(OH)CH(2))(3)CO(-) (4a)reveal that hydrogen-bonded networks can provide enormous stabilizations and that a single charge center not only can be stabilized by up to three hydrogen bonds but also can increase the interaction energy between noncharged OH groups by 5.8 kcal mol(-1) or more per hydrogen bond. This can lead to pK(a) values that are very different from those in water and can provide some of the impetus for catalytic processes.

  11. Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds

    SciTech Connect

    Shokri, Alireza; Schmidt, Jacob C.; Wang, Xue B.; Kass, Steven R.

    2012-02-01

    Hydrogen bond interactions in small covalent model compounds (i.e. deprotonated polyhydroxy alcohols) were measured by negative ion photoelectron spectroscopy. The experimentally determined vertical and adiabatic electron detachment energies for (HOCH2CH2)2CHO (2a), (HOCH2CH2) 3CO (3a) and (HOCH2CH2CH(OH)CH2)3CO (4a) reveal that hydrogen-bonded networks can provide enormous stabilizations, and that a single charge center not only can be stabilized by up to 3 hydrogen bonds but it can increase the interaction energy between non-charged OH groups by 5.8 kcal mol1 or more per hydrogen bond. This can lead to pKa values that are very different than in water, and provide some of the impetus for catalytic processes.

  12. Shear bond strength of bulk-fill and nano-restorative materials to dentin

    PubMed Central

    Colak, Hakan; Ercan, Ertugrul; Hamidi, Mehmet Mustafa

    2016-01-01

    Objectives: Bulk-fill composite materials are being developed for preparation depths of up to 4 mm in an effort to simplify and improve the placement of direct composite posterior restorations. The aim of our study was to compare shear-bond strength of bulk-fill and conventional posterior composite resins. Materials and Methods: In this study, 60 caries free extracted human molars were used and sectioned parallel to occlusal surface to expose midcoronal dentin. The specimens were randomly divided into four groups. Total-etch dentine bonding system (Adper Scotchbond 1XT, 3M ESPE) was applied to dentin surface in all the groups to reduce variability in results. Then, dentine surfaces covered by following materials. Group I: SonicFill Bulk-Fill, Group II: Tetric EvoCeram (TBF), Group III: Herculite XRV Ultra, and Group IV: TBF Bulk-Fill, 2 mm × 3 mm cylindrical restorations were prepared by using application apparatus. Shear bond testing was measured by using a universal testing machine. Kruskal–Wallis and Mann–Whitney U-tests were performed to evaluate the data. Results: The highest value was observed in Group III (14.42 ± 4.34) and the lowest value was observed in Group IV (11.16 ± 2.76) and there is a statistically significant difference between these groups (P = 0.046). However, there is no statistically significant difference between the values of other groups. In this study, Group III was showed higher strength values. Conclusion: There is a need for future studies about long-term bond strength and clinical success of these adhesive and bulk-fill systems. PMID:27011738

  13. Repairability of aged resin composites mediated by different restorative systems.

    PubMed

    Lemos, Cleidiel Aa; Mauro, Sílvio J; de Campos, Renata A; Dos Santos, Paulo H; Machado, Lucas S; Fagundes, Ticiane C

    2016-04-01

    The aim of this study was to evaluate the shear bond strength of resin composite repairs with and without aging of the surface to be repaired, using different adhesive systems and resin composites. Ninety specimens were prepared: 10 for the Control Group (GC - without repair); 40 for Group I (GI - repairs after 7 days) and 40 for Group II (GII - repairs after 180 days). Groups I and II were divided into 4 subgroups of 10 specimens each, according to the adhesive system and composite resin used: A) Adper Scotch Bond Multipurpose + Filtek Z350 XT; B) Adper Single Bond Plus + Filtek Z350 XT; C) Adper Scotch Bond Multipurpose + Esthet-X; D) Adper Single Bond Plus + Esthet-X. The specimens were tested for shear strength in a universal testing machine. The results were analyzed by two-factor one-way ANOVA and Fisher's post hoc tests (alpha=0.05). The control group had better performance than the other groups. There was no significant difference when comparing different adhesive systems and composite resins. Repairs performed at 7 days were better than those performed at 180 days. The composite repairs decreased the mechanical strength of the restoration. Aging of the resin substrate may decrease repair bond strength over time, regardless of the type of adhesive systems and resin composites used.

  14. Effect of EDTA and Phosphoric Acid Pretreatment on the Bonding Effectiveness of Self-Etch Adhesives to Ground Enamel

    PubMed Central

    Ibrahim, Ihab M.; Elkassas, Dina W.; Yousry, Mai M.

    2010-01-01

    Objectives: This in vitro study determined the effect of enamel pretreatment with phosphoric acid and ethylenediaminetetraacetic acid (EDTA) on the bond strength of strong, intermediary strong, and mild self-etching adhesive systems. Methods: Ninety sound human premolars were used. Resin composite cylinders were bonded to flat ground enamel surfaces using three self-etching adhesive systems: strong Adper Prompt L-Pop (pH=0.9–1.0), intermediary strong AdheSE (pH=1.6–1.7), and mild Frog (pH=2). Adhesive systems were applied either according to manufacturer instructions (control) or after pretreatment with either phosphoric acid or EDTA (n=10). After 24 hours, shear bond strength was tested using a universal testing machine at a cross-head speed of 0.5 mm/minute. Ultra-morphological characterization of the surface topography and resin/enamel interfaces as well as representative fractured enamel specimens were examined using scanning electron microscopy (SEM). Results: Neither surface pretreatment statistically increased the mean shear bond strength values of either the strong or the intermediary strong self-etching adhesive systems. However, phosphoric acid pretreatment significantly increased the mean shear bond strength values of the mild self-etching adhesive system. SEM examination of enamel surface topography showed that phosphoric acid pretreatment deepened the same etching pattern of the strong and intermediary strong adhesive systems but converted the irregular etching pattern of the mild self-etching adhesive system to a regular etching pattern. SEM examination of the resin/enamel interface revealed that deepening of the etching pattern was consistent with increase in the length of resin tags. EDTA pretreatment had a negligible effect on ultra-morphological features. Conclusions: Use of phosphoric acid pretreatment can be beneficial with mild self-etching adhesive systems for bonding to enamel. PMID:20922162

  15. What Determines Bond Costs. Municipal Bonds Series.

    ERIC Educational Resources Information Center

    Young, Douglas; And Others

    Public officials in small towns who participate infrequently in the bond market need information about bond financing. This publication, one in a series of booklets published by the Western Rural Development Center using research gathered between 1967-77, discusses factors influencing the marketability and cost of bond financing for towns and…

  16. Single photon ionization of hydrogen bonded clusters with a soft x-ray laser: (HCOOH)x and (HCOOH)y(H2O)z

    NASA Astrophysics Data System (ADS)

    Heinbuch, S.; Dong, F.; Rocca, J. J.; Bernstein, E. R.

    2007-06-01

    Pure, neutral formic acid (HCOOH)n+1 clusters and mixed (HCOOH)/(H2O) clusters are investigated employing time of flight mass spectroscopy and single photon ionization at 26.5eV using a very compact, capillary discharge, soft x-ray laser. During the ionization process, neutral clusters suffer little fragmentation because almost all excess energy above the vertical ionization energy is taken away by the photoelectron, leaving only a small part of the photon energy deposited into the (HCOOH)n +1+ cluster. The vertical ionization energy minus the adiabatic ionization energy is enough excess energy in the clusters to surmount the proton transfer energy barrier and induce the reaction (HCOOH)n +1+→(HCOOH)nH++HCOO making the protonated (HCOOH)nH+ series dominant in all data obtained. The distribution of pure (HCOOH)nH+ clusters is dependent on experimental conditions. Under certain conditions, a magic number is found at n =5. Metastable dissociation rate constants of (HCOOH)nH+ are measured in the range (0.1-0.8)×104s-1 for cluster sizes 4

  17. Transient liquid phase ceramic bonding

    DOEpatents

    Glaeser, Andreas M.

    1994-01-01

    Ceramics are joined to themselves or to metals using a transient liquid phase method employing three layers, one of which is a refractory metal, ceramic or alloy. The refractory layer is placed between two metal layers, each of which has a lower melting point than the refractory layer. The three layers are pressed between the two articles to be bonded to form an assembly. The assembly is heated to a bonding temperature at which the refractory layer remains solid, but the two metal layers melt to form a liquid. The refractory layer reacts with the surrounding liquid and a single solid bonding layer is eventually formed. The layers may be designed to react completely with each other and form refractory intermetallic bonding layers. Impurities incorporated into the refractory metal may react with the metal layers to form refractory compounds. Another method for joining ceramic articles employs a ceramic interlayer sandwiched between two metal layers. In alternative embodiments, the metal layers may include sublayers. A method is also provided for joining two ceramic articles using a single interlayer. An alternate bonding method provides a refractory-metal oxide interlayer placed adjacent to a strong oxide former. Aluminum or aluminum alloys are joined together using metal interlayers.

  18. Comparison of thermal lensing effects between single-end and double-end diffusion-bonded Nd:YVO4 crystals for 4F 3/2-->4I 11/2 and 4F 3/2-->4I 13/2 transitions.

    PubMed

    Chang, Y T; Huang, Y P; Su, K W; Chen, Y F

    2008-12-08

    The effective focal lengths of thermal lens in diode-end-pumped continuous-wave Nd:YVO(4) lasers for the (4)F(3/2)-->(4)I(11/2) and (4)F(3/2)-->(4)I(13/2) transitions were determined. The experimental results revealed that the thermal lensing effect for the (4)F(3/2)-->(4)I(11/2) transition can be sufficiently improved by employing a single-end diffusion-bonded Nd:YVO(4) crystal replacing a conventional Nd:YVO(4) crystal. However, using a double-end diffusion-bonded Nd:YVO(4) crystal was a great improvement over a single-end diffusion-bonded Nd:YVO(4) crystal for the (4)F(3/2)-->(4)I(13/2) transition with stronger thermal lensing effect.

  19. Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride

    SciTech Connect

    Dunning, Thom H. 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 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 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.

  20. Effect of postoperative peroxide bleaching on the marginal seal of composite restorations bonded with self-etch adhesives.

    PubMed

    Roubickova, A; Dudek, M; Comba, L; Housova, D; Bradna, P

    2013-01-01

    The aim of this study was to determine the effect of peroxide bleaching on the marginal seal of composite restorations bonded with several adhesive systems. Combined cylindrical Class V cavities located half in enamel and half in dentin were prepared on the buccal and lingual surfaces of human molars. The cavities were bonded with the self-etch adhesives Clearfil SE-Bond (CLF), Adper Prompt (ADP), and iBond (IBO) and an etch-and-rinse adhesive Gluma Comfort Bond (GLU) and restored with a microhybrid composite Charisma. Experimental groups were treated 25 times for eight hours per day with a peroxide bleaching gel Opalescence PF 20, while the control groups were stored in distilled water for two months and then subjected to a microleakage test using a dye penetration method. Scanning electron microscopy was used to investigate the etching and penetration abilities of the adhesives and morphology of debonded restoration-enamel interfaces after the microleakage tests. Statistical analyses were performed using nonparametric Kruskal-Wallis, Mann-Whitney, and Wilcoxon tests at p=0.05. The microleakage of all GLU groups was low and not significantly affected by peroxide bleaching. Low microleakage was recorded for CLF control groups, but after bleaching, a small but significant increase in microleakage at the enamel margin indicated its sensitivity to peroxide bleaching. For ADP and IBO control groups, the microleakage at the enamel margins was significantly higher than for GLU and CLF and exceeded that at the dentin margins. Bleaching did not induce any significant changes in the microleakage. Electron microscopy analysis indicated that in our experimental setup, decreased adhesion and mechanical resistance of the ADP- and IBO-enamel interfaces could be more important than the chemical degradation effects induced by the peroxide bleaching gel.

  1. Using Multiple Bonding Strategies.

    PubMed

    Larson, Thomas D

    2015-01-01

    There are many ways to bond to tooth structure, some micro-mechanical some chemical, some a combination. Different dentin bonding materials have different bonding strengths to differently prepared surfaces, and because of differences in their nature, different areas of tooth structure present peculiar bonding challenges. This paper will review a variety of material types, elucidating their particular bonding strengths and commenting on improved bonding strategies to increase durability, strength, and favorable pulpal response. In this discussion, resin dentin bonding systems, glass ionomers, Gluma, resin cements, and newer combined products will br reviewed.

  2. Thermal Conductance through Sapphire-Sapphire Bonding

    NASA Astrophysics Data System (ADS)

    Suzuki, T.; Tomaru, T.; Haruyama, T.; Shintomi, T.; Uchinyama, T.; Miyoki, S.; Ohashi, M.; Kuroda, K.

    2003-07-01

    Thermal conductance on sapphire-sapphire bonded interface has been investigated. Two pieces of single crystal sapphire bar with square cross section were bonded together by adhesion free bonding. In two sections of the bar, thermal conductivity was measured between 5 K to 300K. One section contains a bonded interface and the other section measured a thermal conductivity of the sapphire as a reference. No significant thermal resistance due to bonded interface was found from this measurement. Obtained thermal conductivity reaches κ 1 × 104 [W/m·K] in temperature range of T = 20 ˜ 30 K which is a planned operating temperature of a cryogenic mirror of the Large scale Cryogenic Gravitational wave telescope. It looks promising for sapphire bonding technique to improve a heat transfer from a large cryogenic mirror to susp ension wires.

  3. Bond Strength of 5th, 6th and 7th Generation Bonding Agents to Intracanal Dentin of Primary Teeth

    PubMed Central

    Afshar, Hossein; Baradaran Nakhjavani, Yahya; Rahro Taban, Sedighe; Baniameri, Zahra; Nahvi, Azam

    2015-01-01

    Objectives: This in-vitro study sought to assess the push-out bond strength of a total etch and 2 self-etch bonding systems to intracanal dentin of primary anterior teeth (PAT). Materials and Methods: Thirty-six primary anterior teeth were randomly divided into 3 groups of 5th generation (Single Bond 2), 6th generation (Clearfil SE) and 7th generation (Single Bond Universal) bonding agents. The canal orifice was restored with composite resin and the push-out test was carried out to assess the bond strength. After applying the push-out load, specimens were evaluated under a light microscope at 40X magnification. One-way ANOVA and log-rank test on Kaplan-Meier curves were applied for the comparison of bond strength among the 3 groups. Results: The mean± standard deviation (SD) bond strength was 13.6±5.33 MPa for Single Bond 2, 13.85±5.86 MPa for Clearfil SE and 12.28±5.24 MPa for Single Bond Universal. The differences in bond strength among the 3 groups were not statistically significant (P>0.05). Conclusion: All three bonding agents are recommended for use with composite posts in PAT. However, due to high technical sensitivity of the Total Etch system, single or two-step self etch systems may be preferred for uncooperative children. PMID:26056518

  4. Influence of N-H-O hydrogen bonds on the structure and properties of (K(1-x)(NH4)(x)H2PO4) proton glasses: a single crystal neutron diffraction study.

    PubMed

    Choudhury, Rajul Ranjan; Chitra, R

    2013-02-20

    It has been known for quite some time now that proton dynamics plays a key role in the structural ferroelectric (FE)/antiferroelectric (AFE) phase transition in the crystals belonging to the potassium dihydrogen phosphate crystal family. Mixed crystals belonging to this family having the composition M(1-x)(NW(4))(x)W(2)AO(4), where M = K, Rb, Cs, W = H, D, and A = P, As, exhibit proton glass behavior due to frustration between FE and AFE ordering; these proton glasses do not undergo any structural phase change but retain their room temperature structure down to very low temperatures. Single crystal neutron diffraction investigations of four mixed crystals with composition (K(1-x)(NH(4))(x)H(2)PO(4)), where x = 0.0, 0.29, 0.67 1.0, were undertaken with the intention to investigate the effect of the local structural deviations on the overall average structure of the crystals and correlate these structural changes to the presence or absence of a structural phase transition in these crystals. Hydrogen bonding is shown to play a key role in the changing nature of the mixed crystals as the composition varies from the potassium rich ferroelectric region to the proton glass region to the ammonium rich antiferroelectric region.

  5. Bond strength of composite resin to pulp capping biomaterials after application of three different bonding systems.

    PubMed

    Jaberi-Ansari, Zahra; Mahdilou, Maryam; Ahmadyar, Maryam; Asgary, Saeed

    2013-01-01

    Background and aims. Bonding of composite resin filling materials to pulp protecting agents produces an adhesive joint which is important for the quality of filling as well as success of restoration. We aimed to assess the bond strength of composite resin to three pulp capping biomaterials: Pro Root mineral trioxide aggregate (PMTA), Root MTA (RMTA) and calcium enriched mixture (CEM) cement, using three bonding systems [a total-etch (Single Bond) and two self-etch systems (Protect bond and SE Bond)]. Materials and methods. Ninety acrylic molds, each containing a 6×2-mm hole, were divided into 3 groups and filled with PMTA, RMTA and CEM cements. The samples in each experimental group were then randomly divided into 3 sub-groups; Single Bond, Protect Bond and SE Bond bonding systems were applied to the tested materials. Cylindrical forms of composite resin (Z100, 2×2 mm) were placed onto the samples and cured. Shear bond strength values were measured for 9 subgroups using a universal testing machine. Data were analyzed using two-way ANOVA. Results. The average shear bond strengths of Z100 composite resin after application of Single Bond, Protect Bond and SE Bond systems were as follows; PMTA: 5.1±2.42, 4.56±1.96 and 4.52±1.7; RMTA: 4.71±1.77, 4.31±0.56 and 4.79±1.88; and CEM cement: 4.75±1.1, 4.54±1.59 and 4.64±1.78 MPa, respectively. The type of pulp capping material, bonding system and their interacting effects did not have a significant effect on the bond strengths of composite resin to pulp capping biomaterials. Conclusion. Within the limitations of this in vitrostudy, bond strength of composite resin to two types of MTA as well as CEM cement were similar following application of the total-etch or self-etch bonding systems.

  6. Bond Strength of Composite Resin to Pulp Capping Biomaterials after Application of Three Different Bonding Systems

    PubMed Central

    Jaberi-Ansari, Zahra; Mahdilou, Maryam; Ahmadyar, Maryam; Asgary, Saeed

    2013-01-01

    Background and aims. Bonding of composite resin filling materials to pulp protecting agents produces an adhesive joint which is important for the quality of filling as well as success of restoration. We aimed to assess the bond strength of composite resin to three pulp capping biomaterials: Pro Root mineral trioxide aggregate (PMTA), Root MTA (RMTA) and calcium enriched mixture (CEM) cement, using three bonding systems [a total-etch (Single Bond) and two self-etch systems (Protect bond and SE Bond)]. Materials and methods. Ninety acrylic molds, each containing a 6×2-mm hole, were divided into 3 groups and filled with PMTA, RMTA and CEM cements. The samples in each experimental group were then randomly divided into 3 sub-groups; Single Bond, Protect Bond and SE Bond bonding systems were applied to the tested materials. Cylindrical forms of composite resin (Z100, 2×2 mm) were placed onto the samples and cured. Shear bond strength values were measured for 9 subgroups using a universal testing machine. Data were analyzed using two-way ANOVA. Results. The average shear bond strengths of Z100 composite resin after application of Single Bond, Protect Bond and SE Bond systems were as follows; PMTA: 5.1±2.42, 4.56±1.96 and 4.52±1.7; RMTA: 4.71±1.77, 4.31±0.56 and 4.79±1.88; and CEM cement: 4.75±1.1, 4.54±1.59 and 4.64±1.78 MPa, respectively. The type of pulp capping material, bonding system and their interacting effects did not have a significant effect on the bond strengths of composite resin to pulp capping biomaterials. Conclusion. Within the limitations of this in vitrostudy, bond strength of composite resin to two types of MTA as well as CEM cement were similar following application of the total-etch or self-etch bonding systems. PMID:24082986

  7. Immediate bonding to bleached enamel.

    PubMed

    Nour El-din, Amal K; Miller, Barbara H; Griggs, Jason A; Wakefield, Charles

    2006-01-01

    This research sought to determine the shear bond strength, degree of resin infiltration and failure mode when organic solvent-based adhesives (acetone or ethanol) were used in immediate bonding to enamel bleached with 10% carbamide peroxide or 38% hydrogen peroxide systems. Seventy-two non-carious bovine incisors were randomly assigned to three groups of 24 specimens each-control group (deionized water), 38% hydrogen peroxide bleach group and 10% carbamide peroxide bleach group. Each group was further subdivided into two subgroups of 12 specimens each according to the adhesive system used to bond the resin composite to enamel surfaces. The two adhesive systems used were Single Bond, an ethanol-based adhesive, and One Step, an acetone-based adhesive. The shear bond strengths of 38% hydrogen peroxide and 10% carbamide peroxide were significantly lower compared to the non-bleached controls. Fractography revealed an adhesive failure mode in all specimens. Qualitative comparisons of resin tags present in the bleached and unbleached specimens using scanning electron microscopy (SEM) revealed few, thin and fragmented resin tags when 38% hydrogen peroxide and 10% carbamide peroxide were used.

  8. Hydroxide-catalyzed bonding

    NASA Technical Reports Server (NTRS)

    Gwo, Dz-Hung (Inventor)

    2003-01-01

    A method of bonding substrates by hydroxide-catalyzed hydration/dehydration involves applying a bonding material to at least one surface to be bonded, and placing the at least one surface sufficiently close to another surface such that a bonding interface is formed between them. A bonding material of the invention comprises a source of hydroxide ions, and may optionally include a silicate component, a particulate filling material, and a property-modifying component. Bonding methods of the invention reliably and reproducibly provide bonds which are strong and precise, and which may be tailored according to a wide range of possible applications. Possible applications for bonding materials of the invention include: forming composite materials, coating substrates, forming laminate structures, assembly of precision optical components, and preparing objects of defined geometry and composition. Bonding materials and methods of preparing the same are also disclosed.

  9. Influence of chlorhexidine concentration on the durability of etch-and-rinse dentin bonds: a 12-month in vitro study

    PubMed Central

    Breschi, Lorenzo; Cammelli, Federica; Visintini, Erika; Mazzoni, Annalisa; Vita, Francesca; Carrilho, Marcela; Cadenaro, Milena; Foulger, Stephen; Tay, Franklin R; Pashley, David; Di Lenarda, Roberto

    2013-01-01

    Objective To investigate the effect of 0.2% and 2% chlorhexidine (CHX) used as a therapeutic primer on the long-term bond strengths of two etch-and-rinse adhesive systems. Methods Adper Scotchbond 1XT (SB1) and XP-Bond (XPB) were evaluated. Etched dentin substrates were assigned to six treatment groups: (1) 0.2% CHX + SB1; (2) 2% CHX + SB1; (3) SB1 (control); (4) 0.2% CHX + XPB; (5) 2% CHX + XPB; (6) XPB (control). Composite build-ups were made and beams prepared for microtensile bond strength test. Beams were divided in three subgroups and either immediately pulled to failure or stored in artificial saliva for 6 or 12 months prior to testing. Data were evaluated by three-way ANOVA. Additional adhesive interfaces were prepared to investigate nanoleakage expression by TEM. Results SB1 and XPB showed similar immediate bond strength values with or without CHX pre-treatment (p>0.05). After 12 months, bonds fell from 43.9 ± 9.5 MPa to 20.1 ± 5.4 MPa and from 39.6 ± 9.4 MPa to 14.2 ± 5.0 MPa in control specimens for SB1 and XPB respectively, while bond fell only from 41.9±9.6MPa to 33.2 ± 8.3 MPa and 38.3 ± 8.9 MPa to 26.5 ± 10.9 (for SB1 and XPB respectively) when 0.2% CHX was previously used. CHX concentration did not affect bond strength values (0.2% vs 2%, p>.05). Nanoleakage increased during aging in controls, but reduced silver deposits were found in CHX-treated specimens. Conclusions Chlorhexidine significantly reduced the loss of bond strength seen in control bonds. Since no bacterial growth was present in the aging conditions, the results of this study suggest that endogenous factors thought to degrade the adhesive interface can be inhibited by CHX. Further in vivo trials should confirm the role of CHX in bond durability. PMID:19603582

  10. Bonding Durability of Four Adhesive Systems

    PubMed Central

    Seyed Tabai, Elaheh; Mohammadi Basir, Mahshid

    2015-01-01

    Objectives: This study aimed to compare the durability of four adhesive systems by assessing their microtensile bond strength (MTBS) and microleakage during six months of water storage. Materials and Methods: A total of 128 human third molars were used. The adhesives tested were Scotch Bond Multipurpose (SBMP), Single Bond (SB), Clearfil-SE bond (CSEB), and All-Bond SE (ABSE). After sample preparation for MTBS testing, the microspecimens were subjected to microtensile tester after one day and six months of water storage. For microleakage evaluation, facial and lingual class V cavities were prepared and restored with composite. After thermocycling, microleakage was evaluated. Bond strength values were subjected to one-way ANOVA and Tamhane’s test, and the microleakage data were analyzed by the Kruskal-Wallis, Dunn, Mann Whitney and Wilcoxon tests (P<0.05). Results: Single Bond yielded the highest and ABSE yielded the lowest bond strength at one day and six months. Short-term bond strength of SBMP and CSEB was similar. After six months, a significant decrease in bond strength was observed in ABSE and SBMP groups. At one day, ABSE showed the highest microleakage at the occlusal margin; however, at the gingival margin, there was no significant difference among groups. Long-term microleakage of all groups at the occlusal margins was similar, whilst gingival margins of SBMP and SB showed significantly higher microleakage. Conclusion: The highest MTBS and favorable sealability were obtained by Clearfil SE bond. Water storage had no effect on microleakage of self-etch adhesives at the gingival margin or MTBS of CSEB and SB. PMID:27123015

  11. AFOSR Wafer Bonding

    DTIC Science & Technology

    2009-07-31

    cleanliness (foreign particles) and surface morphology (roughness). Two silicon wafers, when properly cleaned, can easily bond at room temperature because of...4 Figure IV data for nSi-nGaN bond. Structure is similar to that shown in Figure Difficulties and Knowledge Added Surface Morphology and...Particles One of the most important features of materials in determining whether they will bond is the quality of the bonding surfaces , in both

  12. Diffusion bonding aeroengine components

    NASA Astrophysics Data System (ADS)

    Fitzpatrick, G. A.; Broughton, T.

    1988-10-01

    The use of diffusion bonding processes at Rolls-Royce for the manufacture of titanium-alloy aircraft engine components and structures is described. A liquid-phase diffusion bonding process called activated diffusion bonding has been developed for the manufacture of the hollow titanium wide chord fan blade. In addition, solid-state diffusion bonding is being used in the manufacture of hollow vane/blade airfoil constructions mainly in conjunction with superplastic forming and hot forming techniques.

  13. The modified extended Hansen method to determine partial solubility parameters of drugs containing a single hydrogen bonding group and their sodium derivatives: benzoic acid/Na and ibuprofen/Na.

    PubMed

    Bustamante, P; Pena, M A; Barra, J

    2000-01-20

    Sodium salts are often used in drug formulation but their partial solubility parameters are not available. Sodium alters the physical properties of the drug and the knowledge of these parameters would help to predict adhesion properties that cannot be estimated using the solubility parameters of the parent acid. This work tests the applicability of the modified extended Hansen method to determine partial solubility parameters of sodium salts of acidic drugs containing a single hydrogen bonding group (ibuprofen, sodium ibuprofen, benzoic acid and sodium benzoate). The method uses a regression analysis of the logarithm of the experimental mole fraction solubility of the drug against the partial solubility parameters of the solvents, using models with three and four parameters. The solubility of the drugs was determined in a set of solvents representative of several chemical classes, ranging from low to high solubility parameter values. The best results were obtained with the four parameter model for the acidic drugs and with the three parameter model for the sodium derivatives. The four parameter model includes both a Lewis-acid and a Lewis-base term. Since the Lewis acid properties of the sodium derivatives are blocked by sodium, the three parameter model is recommended for these kind of compounds. Comparison of the parameters obtained shows that sodium greatly changes the polar parameters whereas the dispersion parameter is not much affected. Consequently the total solubility parameters of the salts are larger than for the parent acids in good agreement with the larger hydrophilicity expected from the introduction of sodium. The results indicate that the modified extended Hansen method can be applied to determine the partial solubility parameters of acidic drugs and their sodium salts.

  14. Sharing in covalent and hydrogen bonds

    NASA Astrophysics Data System (ADS)

    Perhacs, Pablo

    1998-11-01

    The sharing of a single electron between two spatial and spin coordinates ζ and ζsp/prime in a many electron system is discussed in terms of the single particle sharing amplitude, single particle sharing index, I(/zeta;/zeta/sp/prime) /equiv /langle/zeta;/zeta/sp/prime/rangle/ /langle/zeta/sp/prime;/zeta/rangle. The sharing amplitude serves as a single electron wave function within the context of the wave function for the entire system. The sharing index is a measure of the extent to which an electron is shared between ζ and ζsp/prime. The sharing of an electron between atoms in molecules is quantitatively interpreted through the sharing indices and graphically displayed in the fixed point sharing amplitude, bonding is distinguished from non-bonding and anti- bonding. Molecules studied are the diatomics of seven of the first nine elements and the hydrides of the first row of eight elements. Analysis is extended to the complex of methane and hydrogen fluoride and to pairs of hydrogen fluoride, water, and ammonia. The behavior of bonded complexes, is shown to have all the characteristics of covalent bonding. The ammonia dimer is shown not to be hydrogen bonded.

  15. Acrylic mechanical bond tests

    SciTech Connect

    Wouters, J.M.; Doe, P.J.

    1991-02-01

    The tensile strength of bonded acrylic is tested as a function of bond joint thickness. 0.125 in. thick bond joints were found to posses the maximum strength while the acceptable range of joints varied from 0.063 in. to almost 0.25 in. Such joints are used in the Sudbury Neutrino Observatory.

  16. Rapid adhesive bonding concepts

    NASA Technical Reports Server (NTRS)

    Stein, B. A.; Tyeryar, J. R.; Hodges, W. T.

    1984-01-01

    Adhesive bonding in the aerospace industry typically utilizes autoclaves or presses which have considerable thermal mass. As a consequence, the rates of heatup and cooldown of the bonded parts are limited and the total time and cost of the bonding process is often relatively high. Many of the adhesives themselves do not inherently require long processing times. Bonding could be performed rapidly if the heat was concentrated in the bond lines or at least in the adherends. Rapid adhesive bonding concepts were developed to utilize induction heating techniques to provide heat directly to the bond line and/or adherends without heating the entire structure, supports, and fixtures of a bonding assembly. Bonding times for specimens are cut by a factor of 10 to 100 compared to standard press bonding. The development of rapid adhesive bonding for lap shear specimens (per ASTM D1003 and D3163), for aerospace panel bonding, and for field repair needs of metallic and advanced fiber reinforced polymeric matrix composite structures are reviewed.

  17. Bonding aluminum beam leads

    NASA Technical Reports Server (NTRS)

    Burkett, F. S.

    1978-01-01

    Report makes it relatively easy for hybrid-circuit manufacturers to convert integrated circuit chips with aluminum bead leads. Report covers: techniques for handling tiny chips; proper geometries for ultrasonic bonding tips; best combinations of pressure, pulse time, and ultrasonic energy for bonding; and best thickness for metal films to which beam leads are bonded.

  18. Hydrogen Bonds in Excited State Proton Transfer

    NASA Astrophysics Data System (ADS)

    Horke, D. A.; Watts, H. M.; Smith, A. D.; Jager, E.; Springate, E.; Alexander, O.; Cacho, C.; Chapman, R. T.; Minns, R. S.

    2016-10-01

    Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the dynamics of these systems is excited state proton transfer between the noncovalently bound molecules, which stabilizes the system against dissociation and principally alters relaxation pathways. Despite such fundamental importance, studying excited state proton transfer across a hydrogen bond has proven difficult, leaving uncertainties about the mechanism. Through time-resolved photoelectron imaging measurements, we demonstrate how the addition of a single hydrogen bond and the opening of an excited state proton transfer channel dramatically changes the outcome of a photochemical reaction, from rapid dissociation in the isolated chromophore to efficient stabilization and ground state recovery in the hydrogen bonded case, and uncover the mechanism of excited state proton transfer at a hydrogen bond, which follows sequential hydrogen and charge transfer processes.

  19. Bonding changes in compressed superhard graphite.

    PubMed

    Mao, Wendy L; Mao, Ho-kwang; Eng, Peter J; Trainor, Thomas P; Newville, Matthew; Kao, Chi-chang; Heinz, Dion L; Shu, Jinfu; Meng, Yue; Hemley, Russell J

    2003-10-17

    Compressed under ambient temperature, graphite undergoes a transition at approximately 17 gigapascals. The near K-edge spectroscopy of carbon using synchrotron x-ray inelastic scattering reveals that half of the pi-bonds between graphite layers convert to sigma-bonds, whereas the other half remain as pi-bonds in the high-pressure form. The x-ray diffraction pattern of the high-pressure form is consistent with a distorted graphite structure in which bridging carbon atoms between graphite layers pair and form sigma-bonds, whereas the nonbridging carbon atoms remain unpaired with pi-bonds. The high-pressure form is superhard, capable of indenting cubic-diamond single crystals.

  20. Bonding thermoplastic polymers

    DOEpatents

    Wallow, Thomas I.; Hunter, Marion C.; Krafcik, Karen Lee; Morales, Alfredo M.; Simmons, Blake A.; Domeier, Linda A.

    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.

  1. Hydrogen multicentre bonds.

    PubMed

    Janotti, Anderson; Van de Walle, Chris G

    2007-01-01

    The concept of a chemical bond stands out as a major development in the process of understanding how atoms are held together in molecules and solids. Lewis' classical picture of chemical bonds as shared-electron pairs evolved to the quantum-mechanical valence-bond and molecular-orbital theories, and the classification of molecules and solids in terms of their bonding type: covalent, ionic, van der Waals and metallic. Along with the more complex hydrogen bonds and three-centre bonds, they form a paradigm within which the structure of almost all molecules and solids can be understood. Here, we present evidence for hydrogen multicentre bonds-a generalization of three-centre bonds-in which a hydrogen atom equally bonds to four or more other atoms. When substituting for oxygen in metal oxides, hydrogen bonds equally to all the surrounding metal atoms, becoming fourfold coordinated in ZnO, and sixfold coordinated in MgO. These multicentre bonds are remarkably strong despite their large hydrogen-metal distances. The calculated local vibration mode frequency in MgO agrees with infrared spectroscopy measurements. Multicoordinated hydrogen also explains the dependence of electrical conductivity on oxygen partial pressure, resolving a long-standing controversy on the role of point defects in unintentional n-type conductivity of ZnO (refs 8-10).

  2. A valence bond study of three-center four-electron pi bonding: electronegativity vs electroneutrality.

    PubMed

    DeBlase, Andrew; Licata, Megan; Galbraith, John Morrison

    2008-12-18

    Three-center four-electron (3c4e) pi bonding systems analogous to that of the ozone molecule have been studied using modern valence bond theory. Molecules studied herein consist of combinations of first row atoms C, N, and O with the addition of H atoms where appropriate in order to preserve the 3c4e pi system. Breathing orbital valence bond (BOVB) calculations were preformed at the B3LYP/6-31G**-optimized geometries in order to determine structural weights, pi charge distributions, resonance energies, and pi bond energies. It is found that the most weighted VB structure depends on atomic electronegativity and charge distribution, with electronegativity as the dominant factor. By nature, these systems are delocalized, and therefore, resonance energy is the main contributor to pi bond energies. Molecules with a single dominant VB structure have low resonance energies and therefore low pi bond energies.

  3. Shear bond strength and microleakage of a self-etching adhesive for fissure sealing after different types of aging.

    PubMed

    Schuldt, Christoph; Birlbauer, Sebastian; Pitchika, Vinay; Crispin, Alexander; Hickel, Reinhard; Kühnisch, Jan

    2016-01-01

    The aim of this study was to evaluate shear bond strength (SBS) and microleakage of a self-etching adhesive (Adper Prompt L-Pop) in comparison to acid etching prior fissure sealing. Each procedure was tested with 3 aging procedures (1-day water storage, 3-month water storage and 1-day water storage/5,000× thermocycling). SBS was determined according to ISO standard 29022. Additional 30 third molars were utilized for the microleakage analyses. Data were analyzed using Mann-Whitney-U-Test and multiple linear regression models. The SBS of the self-etching adhesive were significantly lower (14.9, 11.9, and 13.0 MPa) than those of conventional fissure sealing (19.1, 18.2, and 15.6 MPa). Multiple linear regression models predicted that material and alteration significantly influenced SBS. The microleakage revealed no difference between both groups (1.3% vs. 1.2%). It can be concluded that the selfetching adhesive might be a pre-treatment alternative for fissure sealing in terms of the easier and shorter clinical workflow.

  4. Sulfide bonded atomic radii

    NASA Astrophysics Data System (ADS)

    Gibbs, G. V.; Ross, N. L.; Cox, D. F.

    2017-03-01

    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.

  5. BONDING ALUMINUM METALS

    DOEpatents

    Noland, R.A.; Walker, D.E.

    1961-06-13

    A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.

  6. Chemical bonding technology

    NASA Technical Reports Server (NTRS)

    Plueddemann, E.

    1986-01-01

    Primers employed in bonding together the various material interfaces in a photovoltaic module are being developed. The approach develops interfacial adhesion by generating actual chemical bonds between the various materials bonded together. The current status of the program is described along with the progress toward developing two general purpose primers for ethylene vinyl acetate (EVA), one for glass and metals, and another for plastic films.

  7. Theoretical study of the bond dissociation energies of methanol

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Walch, Stephen P.

    1992-01-01

    A theoretical study of the bond dissociation energies for H2O and CH3OH is presented. The C-H and O-H bond energies are computed accurately with the modified coupled-pair functional method using a large basis set. For these bonds, an accuracy of +/- 2 kcal/mol is achieved, which is consistent with the C-H and C-C single bond energies of other molecules. The C-O bond is much more difficult to compute accurately because it requires higher levels of correlation treatment and more extensive one-particle basis sets.

  8. Bonding Agents in Pit and Fissure Sealants: A Review

    PubMed Central

    Das, Usha Mohan; G, Suma

    2009-01-01

    Dental adhesive systems used for bonding dental resins to enamel and dentin have evolved through several "generations," with changes in chemistry, mechanism, number of bottles, application technique, and clinical effectiveness. The trend in the latest generation of dental bonding systems is to reduce the number of components and clinical placement steps. The introduction of i bond, a single-bottle dental adhesive system, is the latest of the new generation materials, and combines etchant, adhesive, and desensitizer in one component. This paper describes different dentin bonding agents, its evolution, mechanism of action and different commercially available dentin bonding agents and their role in the retention of pit and fissure sealant. PMID:25206115

  9. Mechanochemistry: one bond at a time.

    PubMed

    Liang, Jian; Fernández, Julio M

    2009-07-28

    Single-molecule force-clamp spectroscopy offers a novel platform for mechanically denaturing proteins by applying a constant force to a polyprotein. A powerful emerging application of the technique is that, by introducing a disulfide bond in each protein module, the chemical kinetics of disulfide bond cleavage under different stretching forces can be probed at the single-bond level. Even at forces much lower than that which can rupture the chemical bond, the breaking of the S-S bond at the presence of various chemical reducing agents is significantly accelerated. Our previous work demonstrated that the rate of thiol/disulfide exchange reaction is force-dependent and well-described by an Arrhenius term of the form r = A(exp((FΔx(r) - E(a))/k(B)T)[nucleophile]). From Arrhenius fits to the force dependency of the reduction rate, we measured the bond elongation parameter, Δx(r), along the reaction coordinate to the transition state of the S(N)2 reaction cleaved by different nucleophiles and enzymes, never before observed by any other technique. For S-S cleavage by various reducing agents, obtaining the Δx(r) value can help depicting the energy landscapes and elucidating the mechanisms of the reactions at the single-molecule level. Small nucleophiles, such as 1,4-dl-dithiothreitol (DTT), tris(2-carboxyethyl)phosphine (TCEP), and l-cysteine, react with the S-S bond with monotonically increasing rates under the applied force, while thioredoxin enzymes exhibit both stretching-favored and -resistant reaction-rate regimes. These measurements demonstrate the power of the single-molecule force-clamp spectroscopy approach in providing unprecedented access to chemical reactions.

  10. σ-Bond Prevents Short π-Bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes

    NASA Astrophysics Data System (ADS)

    Pathak, Biswarup; Umayal, Muthaiah; Jemmis, Eluvathingal D.

    The unusual shortness of the bond length in several main group and transition metal compounds is explained on the basis of their π-alone bonding. The detailed electronic structure calculation on C2, HBBH, and Fe2(CO)6 shows that each of them has two π-alone bonds (unsupported by an underlying σ-bond), whereas B2 has two-half π-bonds. The C-C bond length in C2 is 1.240 Å, shorter than any C-C double (σ + π, in C2H4, C-C=1.338 Å) bonded species. The B-B bond distance in B2 (1.590 Å, two half-π bonds) is shorter than any B-B single σ-bonded (~1.706 Å) species. The calculated Fe-Fe bond distance of 2.002 Å in Fe2(CO)6 is shorter than those of some experimentally known M-M single bonded compounds in the range of 2.904-3.228 Å. Here, our detailed studies on the second and third row diatomics (five, six, seven and eight valence electrons species) and transition metal complexes show that π-alone bonds left to themselves are shorter than σ-bonds; in many ways, σ-bonds prevent π-bonds from adopting their optimal shorter distances.

  11. 31 CFR 363.171 - How do I redeem a converted savings bond?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... converted savings bond? (a) Before final maturity—(1) Savings bond of any series registered in the single... bond of any series registered either in the single owner, owner with beneficiary, or entity form of registration any time prior to final maturity after the minimum holding period through your...

  12. Effects of light curing modes and ethanol-wet bonding on dentin bonding properties*

    PubMed Central

    Li, Mu-zi; Wang, Jin-rui; Liu, Hong; Wang, Xia; Gan, Kang; Liu, Xiu-ju; Niu, De-li; Song, Xiao-qing

    2016-01-01

    Objective: This study explored the effects of different light curing modes and ethanol-wet bonding on dentin bonding strength and durability. Methods: A total of 54 molars were randomly divided into three groups: Single Bond 2, Gluma Comfort Bond, and N-Bond. Based on the three light-curing modes and presence or absence of ethanol pretreatment, the samples were assigned to six subgroups: high-light mode, ethanol pretreatment+high-light mode, soft-start mode, ethanol pretreatment+soft-start mode, standard mode, and ethanol pretreatment+standard mode. All samples were bonded with resin based on the experimental groups. After 24 h and 6 months of water storage, a universal testing machine was used to measure microtensile bond strength. Scanning electron microscopy (SEM) was applied to observe mixed layer morphology. Results: The 24-h and 6-month microtensile bond strengths of the ethanol pretreatment groups were significantly higher than those of the non-ethanol pretreatment groups at the same light modes (P<0.05). With or without ethanol pretreatment, the microtensile bond strengths of the high-light modes were significantly lower than those of the soft-start modes and standard modes (P<0.05). The microtensile bond strengths of samples from the 6-month water storage group significantly decreased compared with those of samples from the 24-h water storage group (P<0.05). The soft-start groups and standard groups formed better mixed layers than the high-light mode groups, whereas the ethanol pretreatment groups formed more uniform mixed layers than those without ethanol pretreatment. Conclusions: Ethanol-wet bonding technique, soft-start, and standard modes could improve dentin bonding properties. PMID:27604862

  13. Mother-Child Bonding.

    ERIC Educational Resources Information Center

    Pearce, Joseph Chilton

    1994-01-01

    Examines the nature of mother-child bonding from the prenatal stage through early infancy, discussing how the mother's actions, even before birth, stimulate her child's senses. Explains the crucial role that physical contact, breastfeeding, and visual stimuli have on mother-child bonding in human and animal newborns. (MDM)

  14. Interfacial bonding stability

    NASA Technical Reports Server (NTRS)

    Boerio, J.

    1984-01-01

    Interfacial bonding stability by in situ ellipsometry was investigated. It is found that: (1) gamma MPS is an effective primer for bonding ethylene vinyl acetate (EVA) to aluminum; (2) ellipsometry is an effective in situ technique for monitoring the stability of polymer/metal interfaces; (3) the aluminized back surface of silicon wafers contain significant amounts of silicon and may have glass like properties.

  15. Chemical Bonds I

    ERIC Educational Resources Information Center

    Sanderson, R. T.

    1972-01-01

    Chemical bonding is discussed from a bond energy, rather than a wave mechanics, viewpoint. This approach is considered to be more suitable for the average student. (The second part of the article will appear in a later issue of the journal.) (AL)

  16. Strength of a bifurcated H bond.

    PubMed

    Feldblum, Esther S; Arkin, Isaiah T

    2014-03-18

    Macromolecules are characterized by their particular arrangement of H bonds. Many of these interactions involve a single donor and acceptor pair, such as the regular H-bonding pattern between carbonyl oxygens and amide H(+)s four residues apart in α-helices. The H-bonding potential of some acceptors, however, leads to the phenomenon of overcoordination between two donors and one acceptor. Herein, using isotope-edited Fourier transform infrared measurements and density functional theory (DFT) calculations, we measured the strength of such bifurcated H bonds in a transmembrane α-helix. Frequency shifts of the (13)C=(18)O amide I mode were used as a reporter of the strength of the bifurcated H bond from a thiol and hydroxyl H(+) at residue i + 4. DFT calculations yielded very similar frequency shifts and an energy of -2.6 and -3.4 kcal/mol for the thiol and hydroxyl bifurcated H bonds, respectively. The strength of the intrahelical bifurcated H bond is consistent with its prevalence in hydrophobic environments and is shown to significantly impact side-chain rotamer distribution.

  17. Interpreting the widespread nonlinear force spectra of intermolecular bonds

    PubMed Central

    Friddle, Raymond W.; Noy, Aleksandr; De Yoreo, James J.

    2012-01-01

    Single molecule force spectroscopy probes the strength, lifetime, and energetic details of intermolecular interactions in a simple experiment. A growing number of these studies have reported distinctly nonlinear trends in rupture force with loading rate that are typically explained in conventional models by invoking complex escape pathways. Recent analyses suggested that these trends should be expected even for simple barriers based on the basic assumptions of bond rupture dynamics and thus may represent the norm rather than the exception. Here we explore how these nonlinear trends reflect the two fundamental regimes of bond rupture: (i) a near-equilibrium regime, produced either by bond reforming in the case of a single bond or by asynchronized rupture of multiple individual bonds, and (ii) a kinetic regime produced by fast, non-equilibrium bond rupture. We analyze both single- and multi-bonded cases, describe the full evolution of the system as it transitions between near- and far-from-equilibrium loading regimes, and show that both interpretations produce essentially identical force spectra. Data from 10 different molecular systems show that this model provides a comprehensive description of force spectra for a diverse suite of bonds over experimentally relevant loading rates, removes the inconsistencies of previous interpretations of transition state distances, and gives ready access to both kinetic and thermodynamic information about the interaction. These results imply that single-molecule binding free energies for a vast number of bonds have already been measured. PMID:22869712

  18. Effects of a newly designed HEMA-free, multi-purpose, single-bottle, self-etching adhesive on bonding to dental hard tissues, zirconia-based ceramics, and gold alloy.

    PubMed

    Ikemura, Kunio; Jogetsu, Yoshiyuki; Shinno, Kazuya; Nakatsuka, Toshiyuki; Endo, Takeshi; Kadoma, Yoshinori

    2011-01-01

    This study investigated the bonding effectiveness of newly designed self-etching adhesives to four types of adherends--enamel, dentin, zirconia, and gold (Au) alloy. Five experimental adhesives were prepared, which contained 3.0-5.0 wt% 6-methacryloyloxyhexyl phosphonoacetate (6-MHPA) or 6-methacryloyloxyhexyl 3-phosphonopropionate (6-MHPP), 3.0 wt% 4-acryloyloxyethoxycarbonylphthalic acid (4-AET) or 17.0 wt% 4-methacryloyloxyethoxycarbonylphthalic acid (4-MET), 0-0.5 wt% 6-methacryloyloxyhexyl 6,8-dithiooctanoate (6-MHDT) or 10-methacryloyloxydecyl 6,8-dithiooctanoate (10-MDDT), and varying contents of Bis-GMA, dimethacrylate monomers, water, acetone, and a photoinitiator system. After 2,000 times of thermal cycling, shear bond strengths (SBSs) between a resin composite (Beautifil II, Shofu Inc., Japan) and the four adherends, bonded using the experimental adhesives, were measured at 1.0 mm/min. No statistically significant differences in SBS for bonding to ground enamel, dentin, sandblasted zirconia and Au alloy (p>0.05) were found between experimental adhesives which contained 6-MHPA and/or 6-MHPP, 4-MET or 4-AET, 6-MHDT and/or 10-MDDT, Bis-GMA, and dimethacrylates. An adhesive layer of less than 5.0 µm thickness, by scanning electron microscopy observation, revealed strong adhesion to the four adherends. Therefore, the newly designed multi-purpose, self-etching adhesive strongly adhered to all the four adherend materials tested.

  19. Tetrel Bonding Interactions.

    PubMed

    Bauzá, Antonio; Mooibroek, Tiddo J; Frontera, Antonio

    2016-02-01

    Tetrel (Tr) bonding is first placed into perspective as a σ-hole bonding interaction with atoms of the Tr family. An sp(3) R4Tr unit has four σ-holes with which a Lewis base can form a complex. We then highlight some inspiring crystal structures where Tr bonding is obvious, followed by an account of our own work. We have shown that Tr bonding is ubiquitous in the solid state and we have highlighted that Tr bonding with carbon is possible when C is placed in the appropriate chemical context. We hope that this account serves as an initial guide and source of inspiration for others wishing to exploit this vastly underexplored interaction.

  20. Wood Bond Testing

    NASA Technical Reports Server (NTRS)

    1989-01-01

    A joint development program between Hartford Steam Boiler Inspection Technologies and The Weyerhaeuser Company resulted in an internal bond analyzer (IBA), a device which combines ultrasonics with acoustic emission testing techniques. It is actually a spinoff from a spinoff, stemming from a NASA Lewis invented acousto-ultrasonic technique that became a system for testing bond strength of composite materials. Hartford's parent company, Acoustic Emission Technology Corporation (AET) refined and commercialized the technology. The IBA builds on the original system and incorporates on-line process control systems. The IBA determines bond strength by measuring changes in pulsar ultrasonic waves injected into a board. Analysis of the wave determines the average internal bond strength for the panel. Results are displayed immediately. Using the system, a mill operator can adjust resin/wood proportion, reduce setup time and waste, produce internal bonds of a consistent quality and automatically mark deficient products.

  1. Shape Bonding method

    NASA Technical Reports Server (NTRS)

    Pontius, James T. (Inventor)

    2010-01-01

    The present invention is directed to a method of bonding at least two surfaces together. The methods step of the present invention include applying a strip of adhesive to a first surface along a predefined outer boundary of a bond area and thereby defining a remaining open area there within. A second surface, or gusset plate, is affixed onto the adhesive before the adhesive cures. The strip of adhesive is allowed to cure and then a second amount of adhesive is applied to cover the remaining open area and substantially fill a void between said first and second surfaces about said bond area. A stencil may be used to precisely apply the strip of adhesive. When the strip cures, it acts as a dam to prevent overflow of the subsequent application of adhesive to undesired areas. The method results in a precise bond area free of undesired shapes and of a preferred profile which eliminate the drawbacks of the prior art bonds.

  2. Assessment of Tooth Preparation via Er:YAG Laser and Bur on Microleakage of Dentin Adhesives

    PubMed Central

    Bahrololoomi, Zahra; Heydari, Elham

    2014-01-01

    Objective Microleakage can be responsible for tooth hypersensitivity, secondary caries, and the possibility of pathological pulp alterations in restored teeth. Recently, alternative methods for tooth preparation such as laser irradiation have been studied; but there are limited studies on primary teeth. The aim of this in vitro study was to compare the degree of microleakage of composite restorations prepared by Er:YAG laser and conventional bur preparation with two adhesive systems in primary teeth. Materials and Methods: Eighty primary canine teeth were randomly divided into 4 groups. Class V cavities were prepared by Er:YAG laser or diamond bur on buccal surface. The groups were as follows: group1: High speed drill + self-etching adhesive Adper Prompt-L-Pop, group 2: Er:YAG laser + etch & rinse adhesive Adper Single Bond, group 3: High speed drill + Adper Single Bond, group 4: Er:YAG laser + Adper Prompt-L-Pop. Cavities were restored with Filtek Z250 composite resin. Then all of the specimens were polished, thermocycled, immersed in 2% methylene blue solution and sectioned longitudinally. Degree of microleakage was evaluated by two evaluators who assigned the micrleakage score (0 to 3). The original data were analyzed by the Kruskal-Wallis and Dunn’s tests. Results: There were significant differences between bur-prepared cavities in the Adper Single Bond and other groups. There were no statistically significant differences between other groups. Conclusion: Laser-prepared cavities showed higher microleakage scores than cavities prepared with diamond bur with etch and rinse adhesive system. No significant difference was revealed between the laser and bur-prepared cavities using self-etch primers. PMID:24910693

  3. Synthesis of feldspar bicrystals by direct bonding

    NASA Astrophysics Data System (ADS)

    Heinemann, S.; Wirth, R.; Dresen, G.

    We have produced synthetic feldspar bicrystals using a direct bonding technique. A gem-quality orthoclase crystal from Itrongay, Madagascar, was used for the bonding experiments. Microprobe analysis shows only minor concentrations of iron and sodium. Orthoclase single crystal plates oriented parallel (0 0 1) were cut and chemomechanically polished with silica slurry. From interferometry, final roughness of the square crystal plates was about 0.34 nm. Specimens were wet-chemically cleaned using deionised water. The bonding procedure produced an orthoclase bicrystal with an optically straight grain boundary-oriented parallel (0 0 1), which was investigated by HREM. Along the interface no amorphous layer was observed between lattice fringes of both crystals. We suggest that the bicrystals formed by initial hydrogen bonding and subsequent water loss and polymerisation of silanol and aluminol groups at elevated temperatures.

  4. Water interaction and bond strength to dentin of dye-labelled adhesive as a function of the addition of rhodamine B

    PubMed Central

    WANG, Linda; BIM, Odair; LOPES, Adolfo Coelho de Oliveira; FRANCISCONI-DOS-RIOS, Luciana Fávaro; MAENOSONO, Rafael Massunari; D’ALPINO, Paulo Henrique Perlatti; HONÓRIO, Heitor Marques; ATTA, Maria Teresa

    2016-01-01

    ABSTRACT Objective This study investigated the effect of the fluorescent dye rhodamine B (RB) for interfacial micromorphology analysis of dental composite restorations on water sorption/solubility (WS/WSL) and microtensile bond strength to dentin (µTBS) of a 3-step total etch and a 2-step self-etch adhesive system. Material and Methods The adhesives Adper Scotchbond Multi-Purpose (MP) and Clearfil SE Bond (SE) were mixed with 0.1 mg/mL of RB. For the WS/WSL tests, cured resin disks (5.0 mm in diameter x 0.8 mm thick) were prepared and assigned into four groups (n=10): MP, MP-RB, SE, and SE-RB. For µTBS assessment, extracted human third molars (n=40) had the flat occlusal dentin prepared and assigned into the same experimental groups (n=10). After the bonding and restoration procedures, specimens were sectioned in rectangular beams, stored in water and tested after seven days or after 12 months. The failure mode of fractured specimens was qualitatively evaluated under optical microscope (x40). Data from WS/WSL and µTBS were assessed by one-way and three-way ANOVA, respectively, and Tukey’s test (α=5%). Results RB increased the WSL of MP and SE. On the other hand, WS of both MP and SE was not affected by the addition of RB. No significance in µTBS between MP and MP-RB for seven days or one year was observed, whereas for SE a decrease in the µTBS means occurred in both storage times. Conclusions RB should be incorporated into non-simplified DBSs with caution, as it can interfere with their physical-mechanical properties, leading to a possible misinterpretation of bonded interface. PMID:27556201

  5. Ethanol wet-bonding challenges current anti-degradation strategy.

    PubMed

    Sadek, F T; Braga, R R; Muench, A; Liu, Y; Pashley, D H; Tay, F R

    2010-12-01

    The long-term effectiveness of chlorhexidine as a matrix metalloproteinase (MMP) inhibitor may be compromised when water is incompletely removed during dentin bonding. This study challenged this anti-bond degradation strategy by testing the null hypothesis that wet-bonding with water or ethanol has no effect on the effectiveness of chlorhexidine in preventing hybrid layer degradation over an 18-month period. Acid-etched dentin was bonded under pulpal pressure simulation with Scotchbond MP and Single Bond 2, with water wet-bonding or with a hydrophobic adhesive with ethanol wet-bonding, with or without pre-treatment with chlorhexidine diacetate (CHD). Resin-dentin beams were prepared for bond strength and TEM evaluation after 24 hrs and after aging in artificial saliva for 9 and 18 mos. Bonds made to ethanol-saturated dentin did not change over time with preservation of hybrid layer integrity. Bonds made to CHD pre-treated acid-etched dentin with commercial adhesives with water wet-bonding were preserved after 9 mos but not after 18 mos, with severe hybrid layer degradation. The results led to rejection of the null hypothesis and highlight the concept of biomimetic water replacement from the collagen intrafibrillar compartments as the ultimate goal in extending the longevity of resin-dentin bonds.

  6. Ethanol Wet-bonding Challenges Current Anti-degradation Strategy

    PubMed Central

    Sadek, F.T.; Braga, R.R.; Muench, A.; Liu, Y.; Pashley, D.H.; Tay, F.R.

    2010-01-01

    The long-term effectiveness of chlorhexidine as a matrix metalloproteinase (MMP) inhibitor may be compromised when water is incompletely removed during dentin bonding. This study challenged this anti-bond degradation strategy by testing the null hypothesis that wet-bonding with water or ethanol has no effect on the effectiveness of chlorhexidine in preventing hybrid layer degradation over an 18-month period. Acid-etched dentin was bonded under pulpal pressure simulation with Scotchbond MP and Single Bond 2, with water wet-bonding or with a hydrophobic adhesive with ethanol wet-bonding, with or without pre-treatment with chlorhexidine diacetate (CHD). Resin-dentin beams were prepared for bond strength and TEM evaluation after 24 hrs and after aging in artificial saliva for 9 and 18 mos. Bonds made to ethanol-saturated dentin did not change over time with preservation of hybrid layer integrity. Bonds made to CHD pre-treated acid-etched dentin with commercial adhesives with water wet-bonding were preserved after 9 mos but not after 18 mos, with severe hybrid layer degradation. The results led to rejection of the null hypothesis and highlight the concept of biomimetic water replacement from the collagen intrafibrillar compartments as the ultimate goal in extending the longevity of resin-dentin bonds. PMID:20940353

  7. 19 CFR 113.70 - Bond condition to indemnify United States for detention of copyrighted material.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... section and shall be a single entry bond. Bond Condition To Indemnify United States for Detention of... detention in the event it is finally determined that the articles are not a piratical copy of the material....

  8. Hydrogen-bonded sheets in benzylmethylammonium hydrogen maleate.

    PubMed

    Santacruz, Lynay; Abonia, Rodrigo; Cobo, Justo; Low, John N; Glidewell, Christopher

    2007-10-01

    In the title compound, C(8)H(12)N(+).C(4)H(3)O(4)(-), there is a short and almost linear but asymmetric O-H...O hydrogen bond in the anion. The ions are linked into C(2)(2)(6) chains by two short and nearly linear N-H...O hydrogen bonds and the chains are further weakly linked into sheets by a single C-H...O hydrogen bond.

  9. The Halogen Bond.

    PubMed

    Cavallo, Gabriella; Metrangolo, Pierangelo; Milani, Roberto; Pilati, Tullio; Priimagi, Arri; Resnati, Giuseppe; Terraneo, Giancarlo

    2016-02-24

    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.

  10. The Halogen Bond

    PubMed Central

    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

  11. Strain measurement in a concrete beam by use of the Brillouin-scattering-based distributed fiber sensor with single-mode fibers embedded in glass fiber reinforced polymer rods and bonded to steel reinforcing bars.

    PubMed

    Zeng, Xiaodong; Bao, Xiaoyi; Chhoa, Chia Yee; Bremner, Theodore W; Brown, Anthony W; DeMerchant, Michael D; Ferrier, Graham; Kalamkarov, Alexander L; Georgiades, Anastasis V

    2002-08-20

    The strain measurement of a 1.65-m reinforced concrete beam by use of a distributed fiber strain sensor with a 50-cm spatial resolution and 5-cm readout resolution is reported. The strain-measurement accuracy is +/-15 microepsilon (microm/m) according to the system calibration in the laboratory environment with non-uniform-distributed strain and +/-5 microepsilon with uniform strain distribution. The strain distribution has been measured for one-point and two-point loading patterns for optical fibers embedded in pultruded glass fiber reinforced polymer (GFRP) rods and those bonded to steel reinforcing bars. In the one-point loading case, the strain deviations are +/-7 and +/-15 microepsilon for fibers embedded in the GFRP rods and fibers bonded to steel reinforcing bars, respectively, whereas the strain deviation is +/-20 microepsilon for the two-point loading case.

  12. Comparative evaluation of the enamel bond strength of ‘etch-and-rinse’ and ‘all-in-one’ bonding agents on cut and uncut enamel surfaces

    PubMed Central

    Patil, Deepu; Singbal, Kiran Prabhakar; Kamat, Sharad

    2011-01-01

    Aims and Objectives: To compare tensile bond strength of an ‘etch-and-rinse’ bonding agent (Single bond,3M ESPE, MN, USA) with an ‘all-in-one’ bonding agent (iBond, Heraeus Kulzer, NY, USA) on cut and uncut enamel surfaces. The null hypothesis tested is that the ‘all-in-one’ bonding agent matches the ‘etch-and-rinse’ bonding agent in terms of tensile bond strength to enamel. Materials and Methods: Forty extracted human mandibular teeth were used for the study. Twenty teeth with intact enamel surfaces were divided into two groups of 10 teeth each. The enamel surfaces of the 20 teeth were prepared and assigned to two more groups of 10 teeth each. One group each of intact and prepared enamel surfaces were used to bond with the ‘etch-and-rinse’ bonding agent [Single bond (SB), 3M ESPE, MN, USA] and the other two groups one each of intact and prepared enamel surfaces were used to bond with the ‘all-in-one’ bonding agent [ iBond (IB), Heraeus Kulzer, NY, USA]. The tensile bond strength was measured on the universal testing machine (Unitek, 9450 PC, FIE, INDIA) at a cross head speed of 1 mm / minute. Results: The results were statistically analyzed using a one-way ANOVA and student ‘t’ test. The values for the ‘etch-and-rinse’ bonding agent SB were significantly higher for both the cut and uncut surfaces, compared to the ‘all-in-one’ bonding agent IB (P < 0.05). The all-in-one bonding agent resulted in a higher bond strength on the cut enamel surfaces. Conclusions: Based on the results, it is advisable to use the ‘etch-and-rinse system’ in a clinical situation requiring bonding on enamel alone. PMID:21814355

  13. 30 CFR 281.33 - Bonds and bonding requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 2 2011-07-01 2011-07-01 false Bonds and bonding requirements. 281.33 Section 281.33 Mineral Resources BUREAU OF OCEAN ENERGY MANAGEMENT, REGULATION, AND ENFORCEMENT, DEPARTMENT OF... SHELF Financial Considerations § 281.33 Bonds and bonding requirements. (a) When the leasing...

  14. 30 CFR 281.33 - Bonds and bonding requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 2 2010-07-01 2010-07-01 false Bonds and bonding requirements. 281.33 Section 281.33 Mineral Resources MINERALS MANAGEMENT SERVICE, DEPARTMENT OF THE INTERIOR OFFSHORE LEASING OF... Bonds and bonding requirements. (a) When the leasing notice specifies that payment of a portion of...

  15. 27 CFR 24.147 - Operations bond or unit bond.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... BUREAU, DEPARTMENT OF THE TREASURY LIQUORS WINE Establishment and Operations Bonds and Consents of Surety § 24.147 Operations bond or unit bond. Notwithstanding the provisions of § 24.146, each person intending to commence or to continue business as the proprietor of a bonded wine premises with an...

  16. Transient liquid phase bonding of intermetallics

    NASA Astrophysics Data System (ADS)

    Guan, Yimin

    The present work was undertaken to examine the applicability of transient liquid phase bonding to structural intermetallics. This research was based on an investigation of the mechanisms governing microstructural development in the joint and adjacent substrates during the joining process. The bonding systems investigated included polycrystalline NiAl/Cu/Ni, polycrystalline NiAl/Cu/superalloys (Martin-Marietta (MM)-247, Inconel (IN) 718 and Nimonic 90), single-crystal NiAl (with 1.5 at % Hf) joined to MM-247 using different filler metals (Cu foil, powder filler metal and electro-plated thin Cu film), and martensitic NiAl joined with martensitic NiTi using Cu foil and specially designed powder filler metals. In polycrystalline NiAl/Cu/Ni bonds, the mechanism of isothermal solidification is considered. Changes in the microstructure of the bond centerline due to element redistribution are discussed. The precipitation of both L1sb2 type gammasp' and B2 type beta phase at the joint centerline is investigated. The formation of martensitic L1sb0 type NiAl is also examined. The mechanical properties of the joints are investigated using shear strength and microhardness tests. In TLP bonding of polycrystalline NiAl with MM-247, both the epitaxial growth of the beta phase NiAl into the joint and the formation of non-epitaxial beta-phase layers are considered. The formation of second-phases, including the gammasp' phase, carbides, and sigma-phase intermetallics is also examined. Bond-line and adjacent substrate microstructures for the NiAl/Cu/MM-247 bonds are correlated with joint mechanical properties determined by room temperature shear testing. Single-crystal NiAl (1.5 at % Hf)/Cu/MM-247 joints are examined and compared with polycrystalline NiAl/Cu/MM247 joints. The effect of Hf on the microstructure of joints is investigated. The influence of different filler metals (i.e., wide-gap powder filler metal and electro-plated thin film filler metal) on the joining process is also

  17. Polarized infrared and raman spectra of monoclinic CsH 2PO 4 single crystal and its deuterated homologue CsD 2PO 4. Part 1. Hydrogen bond study

    NASA Astrophysics Data System (ADS)

    Videnova-Adrabińska, V.; Baran, J.

    1987-01-01

    The object of clearly distinguishing the streching modes originating from the short ( v2) and the long ( v1) hydrogen bond in CsH 2PO 4 has been achieved by recording polarized IR spectra on the (010) plane using different orientations of the electric vector component. Band parameters of the v1 stretching mode are taken as a function of the temperature. Calculations of the orientation of the transition dipole moments for the six proton vibrations ( v1, δ 1, γ 1 and v2, δ 2, γ 2) are performed and correlated with the experimental results.

  18. Strength of Chemical Bonds

    NASA Technical Reports Server (NTRS)

    Christian, Jerry D.

    1973-01-01

    Students are not generally made aware of the extraordinary magnitude of the strengths of chemical bonds in terms of the forces required to pull them apart. Molecular bonds are usually considered in terms of the energies required to break them, and we are not astonished at the values encountered. For example, the Cl2 bond energy, 57.00 kcal/mole, amounts to only 9.46 x 10(sup -20) cal/molecule, a very small amount of energy, indeed, and impossible to measure directly. However, the forces involved in realizing the energy when breaking the bond operate over a very small distance, only 2.94 A, and, thus, f(sub ave) approx. equals De/(r - r(sub e)) must be very large. The forces involved in dissociating the molecule are discussed in the following. In consideration of average forces, the molecule shall be assumed arbitrarily to be dissociated when the atoms are far enough separated so that the potential, relative to that of the infinitely separated atoms, is reduced by 99.5% from the potential of the molecule at the equilibrium bond length (r(sub e)) for Cl2 of 1.988 A this occurs at 4.928 A.

  19. Strain measurement in a concrete beam by use of the Brillouin-scattering-based distributed fiber sensor with single-mode fibers embedded in glass fiber reinforced polymer rods and bonded to steel reinforcing bars

    NASA Astrophysics Data System (ADS)

    Zeng, Xiaodong; Bao, Xiaoyi; Chhoa, Chia Yee; Bremner, Theodore W.; Brown, Anthony W.; DeMerchant, Michael D.; Ferrier, Graham; Kalamkarov, Alexander L.; Georgiades, Anastasis V.

    2002-08-01

    The strain measurement of a 1.65-m reinforced concrete beam by use of a distributed fiber strain sensor with a 50-cm spatial resolution and 5-cm readout resolution is reported. The strain-measurement accuracy is plus-or-minus15 mu][epsilon (mum/m) according to the system calibration in the laboratory environment with non-uniform-distributed strain and plus-or-minus5 mu][epsilon with uniform strain distribution. The strain distribution has been measured for one-point and two-point loading patterns for optical fibers embedded in pultruded glass fiber reinforced polymer (GFRP) rods and those bonded to steel reinforcing bars. In the one-point loading case, the strain deviations are plus-or-minus7 and plus-or-minus15 mu][epsilon for fibers embedded in the GFRP rods and fibers bonded to steel reinforcing bars, respectively, whereas the strain deviation is plus-or-minus20 mu][epsilon for the two-point loading case.

  20. XAFS and bond-valence determination of the structures and compositions of surface functional groups and Pb(II) and Co(II) sorption products on single-crystal {alpha}-Al{sub 2}O{sub 3}

    SciTech Connect

    Bargar, J.R.; Towle, S.N.; Parks, G.A.; Brown, G.E. Jr.

    1997-01-15

    The structures and compositions of Pb(II) adsorption complexes and surface binding sites on {alpha}-Al{sub 2}O{sub 3} (0001) and (1{bar 1}02) surfaces were investigated in the presence of water using grazing-incidence X-ray absorption fine structure (GI-XAFS) spectroscopy. Pb(II) ions were found to adsorb in an inner-sphere mode on {alpha}-Al{sub 2}O{sub 3} (1{bar 1}02) but as outer-sphere complexes on {alpha}-Al{sub 2}O{sub 3} (0001). The distance between the outer-sphere complexes and the surface places useful constraints on double-layer properties of water. A bond-valence model is described that relates the reactivities of surface functional groups and adsorption complexes to their molecular structures and compositions, and places constraints on the stoichiometries of adsorption reactions, including proton release. The EXAFS and modeling results suggest that Pb(II) and Co(II) ions bond to [3Al--O{sup {minus}1/2}] and [Al--OH{sub 2}{sup +1/2}] surface functional groups. In contrast, [2Al--OH] groups complex Co(II) but not Pb(II). The results indicate the importance of using structurally defined surface sites to describe reactions at oxide-water interfaces.

  1. Insulation bonding test system

    NASA Technical Reports Server (NTRS)

    Beggs, J. M.; Johnston, G. D.; Coleman, A. D.; Portwood, J. N.; Saunders, J. M.; Redmon, J. W.; Porter, A. C. (Inventor)

    1984-01-01

    A method and a system for testing the bonding of foam insulation attached to metal is described. The system involves the use of an impacter which has a calibrated load cell mounted on a plunger and a hammer head mounted on the end of the plunger. When the impacter strikes the insulation at a point to be tested, the load cell measures the force of the impact and the precise time interval during which the hammer head is in contact with the insulation. This information is transmitted as an electrical signal to a load cell amplifier where the signal is conditioned and then transmitted to a fast Fourier transform (FFT) analyzer. The FFT analyzer produces energy spectral density curves which are displayed on a video screen. The termination frequency of the energy spectral density curve may be compared with a predetermined empirical scale to determine whether a igh quality bond, good bond, or debond is present at the point of impact.

  2. Biomolecular halogen bonds.

    PubMed

    Ho, P Shing

    2015-01-01

    Halogens are atypical elements in biology, but are common as substituents in ligands, including thyroid hormones and inhibitors, which bind specifically to proteins and nucleic acids. The short-range, stabilizing interactions of halogens - now seen as relatively common in biology - conform generally to halogen bonds characterized in small molecule systems and as described by the σ-hole model. The unique properties of biomolecular halogen bonds (BXBs), particularly in their geometric and energetic relationship to classic hydrogen bonds, make them potentially powerful tools for inhibitor design and molecular engineering. This chapter reviews the current research on BXBs, focusing on experimental studies on their structure-energy relationships, how these studies inform the development of computational methods to model BXBs, and considers how BXBs can be applied to the rational design of more effective inhibitors against therapeutic targets and of new biological-based materials.

  3. Interface nanochemistry effects on stainless steel diffusion bonding

    NASA Astrophysics Data System (ADS)

    Cox, M. J.; Carpenter, R. W.; Kim, M. J.

    2002-02-01

    The diffusion-bonding behavior of single-phase austenitic stainless steel depends strongly on the chemistry of the surfaces to be bounded. We found that very smooth (0.5 nm root-mean-square (RMS) roughness), mechanically polished and lapped substrates would bond completely in ultrahigh vacuum (UHV) in 1 hour at 1000 °C under 3.5 MPa uniaxial pressure, if the native oxide on the substrates was removed by ion-beam cleaning, as shown by in-situ Auger analysis. No voids were observed in these bonded interfaces by transmission electron microscopy (TEM), and the strength was equal to that of the unbounded bare material. No bond formed between the substrates if in-situ ion cleaning was not used. The rougher cleaned substrates partially bonded, indicating that roughness, as well as native oxides, reduced the bonding kinetics.

  4. Cooperativity in beryllium bonds.

    PubMed

    Alkorta, Ibon; Elguero, José; Yáñez, Manuel; Mó, Otilia

    2014-03-07

    A theoretical study of the beryllium bonded clusters of the (iminomethyl)beryllium hydride and (iminomethyl)beryllium fluoride [HC(BeX)=NH, X = H, F] molecules has been carried out at the B3LYP/6-311++G(3df,2p) level of theory. Linear and cyclic clusters have been characterized up to the decamer. The geometric, energetic, electronic and NMR properties of the clusters clearly indicate positive cooperativity. The evolution of the molecular properties, as the size of the cluster increases, is similar to those reported in polymers held together by hydrogen bonds.

  5. Cast Aluminum Bonding Study

    DTIC Science & Technology

    1988-05-01

    fabricated using P?-’r;est11 bur)ld II19 te(hnll I Oly with 6 cIsL nqs. The cast a lumi num alloy used was A357 . The sur- face preparation was phosphoric acid...from a cast aluminum alloy designated A357 . The bonding surfaces of the adherends were prepared using PAA. One primer and two adhesives considered...System, Cast Aluminum Lap Shear 18 11 Bond Area of 350°F Adhesive System, Cast Aluminum Lap Shear 19 vi LIST OF TABLES TABLE PAGE 1 A357 Chemical

  6. Metallic Adhesion and Bonding

    NASA Technical Reports Server (NTRS)

    Ferrante, J.; Smith, J. R.; Rose, J. H.

    1984-01-01

    Although metallic adhesion has played a central part in much tribological speculation, few quantitative theoretical calculations are available. This is in part because of the difficulties involved in such calculations and in part because the theoretical physics community is not particularly involved with tribology. The calculations currently involved in metallic adhesion are summarized and shown that these can be generalized into a scaled universal relationship. Relationships exist to other types of covalent bonding, such as cohesive, chemisorptive, and molecular bonding. A simple relationship between surface energy and cohesive energy is offered.

  7. 29 CFR 2580.412-20 - Use of existing bonds, separate bonds and additional bonding.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... bonding. 2580.412-20 Section 2580.412-20 Labor Regulations Relating to Labor (Continued) EMPLOYEE BENEFITS SECURITY ADMINISTRATION, DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580.412-20 Use of existing...

  8. 29 CFR 2580.412-20 - Use of existing bonds, separate bonds and additional bonding.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... bonding. 2580.412-20 Section 2580.412-20 Labor Regulations Relating to Labor (Continued) EMPLOYEE BENEFITS SECURITY ADMINISTRATION, DEPARTMENT OF LABOR TEMPORARY BONDING RULES UNDER THE EMPLOYEE RETIREMENT INCOME SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580.412-20 Use of existing...

  9. Nondestructive Evaluation of Adhesive Bonds via Ultrasonic Phase Measurements

    NASA Technical Reports Server (NTRS)

    Haldren, Harold A.; Perey, Daniel F.; Yost, William T.; Cramer, K. Elliott; Gupta, Mool C.

    2016-01-01

    The use of advanced composites utilizing adhesively bonded structures offers advantages in weight and cost for both the aerospace and automotive industries. Conventional nondestructive evaluation (NDE) has proved unable to reliably detect weak bonds or bond deterioration during service life conditions. A new nondestructive technique for quantitatively measuring adhesive bond strength is demonstrated. In this paper, an ultrasonic technique employing constant frequency pulsed phased-locked loop (CFPPLL) circuitry to monitor the phase response of a bonded structure from change in thermal stress is discussed. Theoretical research suggests that the thermal response of a bonded interface relates well with the quality of the adhesive bond. In particular, the effective stiffness of the adhesive-adherent interface may be extracted from the thermal phase response of the structure. The sensitivity of the CFPPLL instrument allows detection of bond pathologies that have been previously difficult-to-detect. Theoretical results with this ultrasonic technique on single epoxy lap joint (SLJ) specimens are presented and discussed. This technique has the potential to advance the use of adhesive bonds - and by association, advanced composite structures - by providing a reliable method to measure adhesive bond strength, thus permitting more complex, lightweight, and safe designs.

  10. Strain measurement in concrete structure using distributed fiber optic sensing based on Brillouin scattering with single-mode fibers embedded in glass fiber reinforcing vinyl ester rod and bonded to steel reinforcing bars

    NASA Astrophysics Data System (ADS)

    Chhoa, Cia Y.; Bao, Xiaoyi; Bremner, Theodore W.; Brown, Anthony W.; DeMerchant, Michael D.; Kalamkarov, Alexander L.; Georgiades, Anastasis V.

    2001-08-01

    The strain distribution in a 1.65m long reinforced concrete beam was measured using the distributed fiber optic sensing system developed by Dr. Bao's Fiber Optic Group at the University of New Brunswick (UNB) with center point and two point loading pattern. A spatial resolution of 0.5m was used. Past experience has shown that the bare optical fiber is too fragile to act as a sensor in a reinforced concrete structure. Therefore, in this experiment, two methods of protecting the fibers were incorporated into the concrete beam to increase the fibers' resistance to mechanical damages and prevent chemical reaction from occurring between the fibers and the concrete. The fibers were either embedded in pultruded glass fiber reinforced vinyl ester (GFRP) rods or bonded to the steel reinforcing bars with an epoxy adhesive. The strain at midspan of the beam as measured by the distributed sensing system was compared with the readings of electrical resistance strain (ERS) and mechanical strain (MS) gauges. The experimental results showed that the pultruded GFRP rods effectively protected the fibers, but the strain readings from the GFRP rods did not agree with the strain measurement of the ERS on the steel reinforcing bars due to the possible slippage of the rods in the concrete. However, the fiber bonded to steel reinforcing bars produced more accurate results and confirmed the potential of this technology to accurately measure strain in a reinforced concrete structure. As expected, the fiber with direct contact to the concrete and steel reinforcing bar, can effectively measured the strain under center point or two point loading.

  11. Bonding with the Past.

    ERIC Educational Resources Information Center

    Common Ground: Archeology and Ethnography in the Public Interest, 1998

    1998-01-01

    An interview with Linda Mayro, archaeologist and cultural resources manager for Pima County, Arizona, discusses efforts of local groups to preserve local Native-American and Mexican cultural-heritage sites in oppositon to commercial land developers. A public information campaign led to passage of a $6.4 million historic preservation bond. (SAS)

  12. GRAPHITE BONDING METHOD

    DOEpatents

    King, L.D.P.

    1964-02-25

    A process for bonding or joining graphite members together in which a thin platinum foil is placed between the members, heated in an inert atmosphere to a temperature of 1800 deg C, and then cooled to room temperature is described. (AEC)

  13. Bonding with Your Baby

    MedlinePlus

    ... can take nearly all of your attention and energy — especially for a breastfeeding mom. Bonding will be much easier if you aren't exhausted by all of the other things going on at home, such as housework, meals, and laundry. It's helpful ...

  14. Photochemical tissue bonding

    DOEpatents

    Redmond, Robert W [Brookline, MA; Kochevar, Irene E [Charlestown, MA

    2012-01-10

    Photochemical tissue bonding methods include the application of a photosensitizer to a tissue and/or tissue graft, followed by irradiation with electromagnetic energy to produce a tissue seal. The methods are useful for tissue adhesion, such as in wound closure, tissue grafting, skin grafting, musculoskeletal tissue repair, ligament or tendon repair and corneal repair.

  15. Bonding without Tears.

    ERIC Educational Resources Information Center

    Akeroyd, F. Michael

    1982-01-01

    Discusses merits of using sigma-pi model of ethylene as a teaching aid in introductory organic chemistry. The nonmathematical treatment of sigma-pi bonding is then extended to such phenomena as conjugation, hyperconjugation, Markovnikoff addition, aromaticity, and aromatic substitution. (SK)

  16. Chitosan Adhesive Films for Photochemical Tissue Bonding

    NASA Astrophysics Data System (ADS)

    Lauto, Antonio; Mawad, Damia; Barton, Matthew; Piller, Sabine C.; Longo, Leonardo

    2011-08-01

    Photochemical tissue bonding (PTB) is a promising sutureless technique for tissue repair. PTB is often achieved by applying a solution of rose bengal (RB) between two tissue edges, which are irradiated by a green laser to crosslink collagen fibers with minimal heat production. In this study, RB has been incorporated in chitosan films to create a novel tissue adhesive that is laser-activated. Materials and Methods. Adhesive films, based on chitosan and containing ˜0.1wt% RB were manufactured and bonded to calf intestine by a solid state laser (wavelength = 532 nm, Fluence ˜110 J/cm2, spot size ˜5 mm). A single-column tensiometer, interfaced with a personal computer, tested the bonding strength. K-type thermocouples recorded the temperature (T) at the adhesive-tissue interface during laser irradiation. Human fibroblasts were also seeded on the adhesive and cultured for 48 hours to assess cell growth. Results and Conclusion. The RB-chitosan adhesive bonded firmly to the intestine (15±2 kPa, n = 31). The adhesion strength dropped to 0.5±0.1 kPa (n = 8) when the laser was not applied to the adhesive. The average temperature of the adhesive increased from 26 °C to 32 °C during laser exposure. Fibroblasts grew confluent on the adhesive without morphological changes. A new biocompatible chitosan adhesive has been developed that bonds photochemically to tissue with minimal temperature increase.

  17. Evaluation of micro-shear bond strength of resin modified glass-ionomer to composite resins using various bonding systems

    PubMed Central

    Kasraie, Shahin; Shokripour, Mohadese; Safari, Mahin

    2013-01-01

    Aim: The aim was to compare the micro-shear bond strength between composite and resin-modified glass-ionomer (RMGI) by different adhesive systems. Materials and Methods: A total of 16 discs of RMGI with a diameter of 15 mm and a thickness of 2 mm were randomly divided into four groups (n = 4). Four cylinders of composite resin (z250) were bonded to the RMGI discs with Single Bond, Clearfil SE Bond and Clearfil S3 Bond in Groups 1-3, respectively. The fourth group was the control. Samples were tested by a mechanical testing machine with a strain rate of 0.5 mm/min. Failure mode was assessed under a stereo-microscope. Results: The means of micro-shear bond strength values for Groups 1-4 were 14.45, 23.49, 16.23 and 5.46 MPa, respectively. Using a bonding agent significantly increased micro-shear bond strength (P = 0.0001). Conclusion: Micro-shear bond strength of RMGI to composite increased significantly with the use of adhesive resin. The bond strength of RMGI to composite resin could vary depending upon the type of adhesive system used. PMID:24347892

  18. 26 CFR 1.148-4 - Yield on an issue of bonds.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... mortgage bonds or qualified student loan bonds to use a single yield for two or more issues. (b) Computing... increasing interest rates (i.e., a stepped coupon bond). (4) Yield recomputed upon transfer of certain rights... qualified student loans, a guarantee of payments on a purpose investment is a qualified guarantee of...

  19. Bonding, Achievement, and Activities: School Bonding, Academic Achievement, and Participation in Extracurricular Activities

    ERIC Educational Resources Information Center

    Howard, Anissa K.; Ziomek-Daigle, Jolie

    2009-01-01

    Utilizing a single-group interrupted time series design (Creswell, 2003), this pilot study examined the relationship between academic achievement, school bonding, and the extracurricular activity participation of "uninvolved" students (n=11) who participated in a voluntary support group at a suburban high school in the southeast. Results…

  20. Changes in Water Sorption and Solubility of Dental Adhesive Systems after Cigarette Smoke

    PubMed Central

    Vitória, Lívia Andrade; Aguiar, Thaiane Rodrigues; Santos, Poliana Ramos Braga; Cavalcanti, Andrea Nóbrega

    2013-01-01

    Aim. To evaluate the effect of cigarette smoke on water sorption and solubility of four adhesive systems. Materials and Methods. Sixteen disks of each adhesive system were prepared (Adper Scotchbond Multipurpose Adhesive (SA); Adper Scotchbond Multipurpose Adhesive System (Adhesive + Primer) (SAP); Adper Single Bond Plus (SB); Adper Easy One (EO)). Specimens were desiccated until a constant mass was obtained and divided into two groups (n = 8). One-half of the specimens were immersed in deionized water, while the other half were also immersed, but with daily exposure to tobacco smoke. After 21 days, disks were measured again and stored in desiccators until constant mass was achieved. Data were calculated according to ISO specifications and statistically analyzed. Results. The tobacco smoke only significantly affected the water sorption and solubility of EO. There were significant differences in both analyses among materials tested. The SB exhibited the highest water sorption, followed by EO, which demonstrated significantly higher solubility values than SB. The SA and SAP showed low water sorption and solubility, and there were no significant differences between the two. Conclusion. Regardless of smoke exposure, both simplified adhesive systems presented an inferior performance that could be related to the complex mixture of components in such versions. PMID:23984078

  1. Low temperature reactive bonding

    DOEpatents

    Makowiecki, Daniel M.; Bionta, Richard M.

    1995-01-01

    The joining technique requires no external heat source and generates very little heat during joining. It involves the reaction of thin multilayered films deposited on faying surfaces to create a stable compound that functions as an intermediate or braze material in order to create a high strength bond. While high temperatures are reached in the reaction of the multilayer film, very little heat is generated because the films are very thin. It is essentially a room temperature joining process.

  2. Aspects of glycosidic bond formation in aqueous solution: chemical bonding and the role of water.

    PubMed

    Stubbs, John M; Marx, Dominik

    2005-04-22

    A model of the specific acid-catalyzed glycosidic bond formation in liquid water at ambient conditions is studied based on constrained Car-Parrinello ab initio molecular dynamics. Specifically the reaction of alpha-D-glucopyranose and methanol is found to proceed by a D(N)A(N) mechanism. The D(N) step consists of a concerted protonation of the O(1) hydroxyl leaving group; this process results in the breaking of the C(1)-O(1) bond, and oxocarbenium ion formation involving C(1)=O(5). The second step, A(N), is the formation of the C(1)-O(m) glycosidic bond, deprotonation of the methanol hydroxyl group O(m)H(m), and re-formation of the C(1)-O(5) single bond. A focus of this study is the analysis of the electronic structure during this condensed phase reaction relying on both Boys/Wannier localized orbitals and the electron localization function ELF. This analysis allows the clear elucidation of the chemical bonding features of the intermediate bracketed by the D(N) and A(N) steps, which is a non-solvent equilibrated oxocarbenium cation. Most interestingly, it is found that the oxygen in the pyranose ring becomes "desolvated" upon double bond/oxocarbenium formation, whereas it is engaged in the hydrogen-bonded water network before and after this period. This demonstrates that hydrogen bonding and thus the aqueous solvent play an active role in this reaction implying that microsolvation studies in the gas phase, both theoretical and experimental, might lead to qualitatively different reaction mechanisms compared to solution.

  3. The role of bond tangency and bond gap in hard sphere crystallization of chains.

    PubMed

    Karayiannis, Nikos Ch; Foteinopoulou, Katerina; Laso, Manuel

    2015-03-07

    We report results from Monte Carlo simulations on dense packings of linear, freely-jointed chains of hard spheres of uniform size. In contrast to our past studies where bonded spheres along the chain backbone were tangent, in the present work a finite tolerance in the bond is allowed. Bond lengths are allowed to fluctuate in the interval [σ, σ + dl], where σ is the sphere diameter. We find that bond tolerance affects the phase behaviour of hard-sphere chains, especially in the close vicinity of the melting transition. First, a critical dl(crit) exists marking the threshold for crystallization, whose value decreases with increasing volume fraction. Second, bond gaps enhance the onset of phase transition by accelerating crystal nucleation and growth. Finally, bond tolerance has an effect on crystal morphologies: in the tangent limit the majority of structures correspond to stack-faulted random hexagonal close packing (rhcp). However, as bond tolerance increases a wealth of diverse structures can be observed: from single fcc (or hcp) crystallites to random hcp/fcc stackings with multiple directions. By extending the simulations over trillions of MC steps (10(12)) we are able to observe crystal-crystal transitions and perfection even for entangled polymer chains in accordance to the Ostwald's rule of stages in crystal polymorphism. Through simple geometric arguments we explain how the presence of rigid or flexible constraints affects crystallization in general atomic and particulate systems. Based on the present results, it can be concluded that proper tuning of bond gaps and of the connectivity network can be a controlling factor for the phase behaviour of model, polymer-based colloidal and granular systems.

  4. IMPROVED BONDING METHOD

    DOEpatents

    Padgett, E.V. Jr.; Warf, D.H.

    1964-04-28

    An improved process of bonding aluminum to aluminum without fusion by ultrasonic vibrations plus pressure is described. The surfaces to be bonded are coated with an aqueous solution of alkali metal stearate prior to assembling for bonding. (AEC) O H19504 Present information is reviewed on steady state proliferation, differentiation, and maturation of blood cells in mammals. Data are cited from metabolic tracer studies, autoradiographic studies, cytologic studies, studies of hematopoietic response to radiation injuries, and computer analyses of blood cell production. A 3-step model for erythropoiesis and a model for granulocyte kinetics are presented. New approaches to the study of lymphocytopoiesis described include extracorporeal blood irradiation to deplete lymphocytic tissue without direct injury to the formative tissues as a means to study the stressed system, function control, and rates of proliferation. It is pointed out that present knowledge indicates that lymphocytes comprise a mixed family, with diverse life spans, functions, and migration patterns with apparent aimless recycling from modes to lymph to blood to nodes that has not yet been quantitated. Areas of future research are postulated. (70 references.) (C.H.)

  5. Effect of sodium ascorbate on the bond strength of all-in-one adhesive systems to NaOCl-treated dentin

    PubMed Central

    Ebrahimi-Chaharom, Mohammad-Esmaeel; Kimyai, Soodabeh; Mohammadi, Narmin; Oskoee, Parnian-Alizadeh; Daneshpuy, Mehdi

    2015-01-01

    Background Ascorbic acid and its salts are low-toxicity products, which are routinely used in food industries as antioxidants. The aim of the present study was to evaluate the effect of 10% sodium ascorbate on the bond strength of two all-in-one adhesive systems to NaOCl-treated dentin. Material and Methods After exposing the dentin on the facial surface of 90 sound human premolars and mounting in an acrylic resin mold, the exposed dentin surfaces were polished with 600-grit SiC paper under running water. Then the samples were randomly divided into 6 groups of 15. Groups 1 and 4 were the controls, in which no surface preparation was carried out. In groups 2 and 5 the dentin surfaces were treated with 5.25% NaOCl alone for 10 minutes and in groups 3 and 6 with 5.25% NaOCl for 10 minutes followed by 10% sodium ascorbate for 10 minutes. Then composite resin cylinders, measuring 2 mm in diameter and 2 mm in height, were bonded on the dentin surfaces in groups 1, 2 and 3 with Clearfil S3 Bond and in groups 4, 5 and 6 with Adper Easy One adhesive systems according to manufacturers’ instructions. The samples were stored in distilled water for 24 hours at 37°C and then thermocycled. Finally, the samples underwent shear bond strength test in a universal testing machine at a strain rate of 1 mm/min. Data were analyzed with two-way ANOVA and post hoc Tukey tests at α=0.05. Results The differences between groups 1 and 2 (P=0.01), 1 and 5 (P=0.003). 1 and 6 (P=0.03) and 4 and 5 (P=0.03) were statistically significant. Two-by-two comparisons did not reveal any significant difference between other groups (P>0.05). Conclusions Use of 10% sodium ascorbate for 10 minutes restored the decreased bond strength of the adhesive systems to that of the control groups. Key words:Sodium ascorbate, adhesive systems, all-in-one, bond strength, sodium hypochlorite. PMID:26644835

  6. The effect of dentine location and tubule orientation on the bond strengths between resin and dentine.

    PubMed

    Phrukkanon, S; Burrow, M F; Tyas, M J

    1999-05-01

    This study determined the influence of dentine structure on the micro-tensile bond strengths between resin and dentine of two different dentine adhesive systems (Single Bond, 3M Dental Products, St Paul, MN; MF-102 (experimental self-etching primer), GC Corporation, Tokyo, Japan). The study was separated into two main parts: bond strength measurement and investigation of the bonding interface. Twenty-two human premolars were used for the bond strength measurement. Each tooth was cut vertically, separating the tooth into mesio-distal halves. One half of the tooth was used to bond to a surface perpendicular to the dentinal tubules and other half to bond to a surface parallel to the tubules. For each half, six locations of dentine were bonded. Each material was used in accordance to the manufacturer's directions. Cylindrical hourglass-shaped specimens of 1.2 mm diameter at the bonded interface were manufactured. The bonds were stressed in tension at a crosshead speed of 1 mm/min. Mean bond strengths were compared using LSD, one-way ANOVA, and Student's t-test. The fractured surfaces were examined under a scanning electron microscope, and the frequency of fracture modes was compared using the Kruskal-Wallis and Mann-Whitney U tests. For the investigation of the bonded interface, four teeth were prepared by the same procedure used for the bond test specimens. The bonded interfaces were observed after an acid-base treatment or fracturing across the bonded interface, prior to investigation with a field-emission scanning electron microscope. For Single Bond, the bond strengths for mid-root dentine were significantly lower than for other locations (p < 0.05). For MF-102, there was no significant difference for all locations (p > 0.05). MF-102 bonded well to all locations of dentine while Single Bond showed a porous zone at the base of the hybrid layer. The bonds were not influenced by tubule orientation. The results indicate that the bond for Single Bond may be affected by

  7. Coulombic Models in Chemical Bonding.

    ERIC Educational Resources Information Center

    Sacks, Lawrence J.

    1986-01-01

    Compares the coulumbic point charge model for hydrogen chloride with the valence bond model. It is not possible to assign either a nonpolar or ionic canonical form of the valence bond model, while the covalent-ionic bond distribution does conform to the point charge model. (JM)

  8. Rapid Adhesive Bonding of Composites

    NASA Technical Reports Server (NTRS)

    Stein, B. A.; Tyeryar, J. R.; Fox, R. L.; Sterling, S. Elmo, Jr.; Buckley, J. D.; Inge, Spencer V., Jr.; Burcher, L. G.; Wright, Robert E., Jr.

    1986-01-01

    Strong bonds created in less time and with less power than use of conventional bonding methods. Rapid adhesive bonding (RAB) technique for composites uses high-frequency induction heating toroids to quickly heat metallic susceptor impregnated with thermoplastic adhesive or sandwiched between thermoset or thermoplastic adhesive cloths or films. Susceptor steel screen or perforated steel foil.

  9. Urethane/Silicone Adhesives for Bonding Flexing Metal Parts

    NASA Technical Reports Server (NTRS)

    Edwards, Paul D.

    2004-01-01

    Adhesives that are blends of commercially available urethane and silicone adhesives have been found to be useful for bonding metal parts that flex somewhat during use. These urethane/silicone adhesives are formulated for the specific metal parts to be bonded. The bonds formed by these adhesives have peel and shear strengths greater than those of bonds formed by double-sided tapes and by other adhesives, including epoxies and neat silicones. In addition, unlike the bonds formed by epoxies, the bonds formed by these adhesives retain flexibility. In the initial application for which the urethane/silicone adhesives were devised, there was a need to bond spring rings, which provide longitudinal rigidity for inflatable satellite booms, with the blades that provide the booms axial strength. The problem was to make the bonds withstand the stresses, associated with differences in curvature between the bonded parts, that arose when the booms were deflated and the springs were compressed. In experiments using single adhesives (that is, not the urethane/ silicone blends), the bonds were broken and, in each experiment, it was found that the adhesive bonded well with either the ring or with the blade, but not both. After numerous experiments, the adhesive that bonded best with the rings and the adhesive that bonded best with the blades were identified. These adhesives were then blended and, as expected, the blend bonded well with both the rings and the blades. The two adhesives are Kalex (or equivalent) high-shear-strength urethane and Dow Corning 732 (or equivalent) silicone. The nominal mixture ratio is 5 volume parts of the urethane per 1 volume part of the silicone. Increasing the proportion of silicone makes the bond weaker but more flexible, and decreasing the proportion of silicone makes the bond stronger but more brittle. The urethane/silicone blend must be prepared and used quickly because of the limited working time of the urethane: The precursor of the urethane

  10. The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids.

    PubMed

    Skarmoutsos, Ioannis; Welton, Tom; Hunt, Patricia A

    2014-02-28

    Hydrogen bond (H-bond) dynamics have been investigated for "hot" 1-ethyl-3-methylimidazolium chloride and "cold" 1-butyl-3-methylimidazolium chloride ionic liquids (IL). While the average number of H-bonds remains constant for a ≈100 °C temperature change we show that the underlying dynamics of the H-bonding changes dramatically. H-bond dynamics are investigated based on distance and angle criteria, and on the H-bond state (zero, single or bifurcated H-bonds). Temperature effects on the cation ring reorientational dynamics are also examined. Angle deformations are found to be more important than bond stretching in determining the lifetime of individual H-bonds, and decay occurs on two time scales related to the magnitude of the deviation from linearity. Rapid angular oscillation of the anion breaks the H-bond (for the first time) and minimal temperature effects indicate that H-bonds are readily reformed even near the melting point. Intermittent H-bonds repeatedly break and reform over a longer timescale, and exhibit very strong temperature effects. In the hot IL H-bonding with ring and alkyl chain H-atoms occurs, ring reorientational dynamics is anisotropic and the corresponding lifetimes are similar to the intermittent H-bond lifetimes. In the cold IL ring H-atoms dominate the H-bonding and intermittent H-bonds last for ≈5 ns, ring reorientation occurs on a much slower timescale. The hot IL favours single H-bonds, but the individual ions often change, while the cold IL favours bifurcated H-bonds with the same co-located ions.

  11. Resolving the molecular mechanism of cadherin catch bond formation

    SciTech Connect

    Manibog, Kristine; Li, Hui; Rakshit, Sabyasachi; Sivasankar, Sanjeevi

    2014-06-02

    Classical cadherin Ca(2+)-dependent cell-cell adhesion proteins play key roles in embryogenesis and in maintaining tissue integrity. Cadherins mediate robust adhesion by binding in multiple conformations. One of these adhesive states, called an X-dimer, forms catch bonds that strengthen and become longer lived in the presence of mechanical force. Here we use single-molecule force-clamp spectroscopy with an atomic force microscope along with molecular dynamics and steered molecular dynamics simulations to resolve the molecular mechanisms underlying catch bond formation and the role of Ca(2+) ions in this process. Our data suggest that tensile force bends the cadherin extracellular region such that they form long-lived, force-induced hydrogen bonds that lock X-dimers into tighter contact. When Ca(2+) concentration is decreased, fewer de novo hydrogen bonds are formed and catch bond formation is eliminated

  12. Intramolecular amide bonds stabilize pili on the surface of bacilli

    SciTech Connect

    Budzik, Jonathan M.; Poor, Catherine B.; Faull, Kym F.; Whitelegge, Julian P.; He, Chuan; Schneewind, Olaf

    2010-01-12

    Gram-positive bacteria elaborate pili and do so without the participation of folding chaperones or disulfide bond catalysts. Sortases, enzymes that cut pilin precursors, form covalent bonds that link pilin subunits and assemble pili on the bacterial surface. We determined the x-ray structure of BcpA, the major pilin subunit of Bacillus cereus. The BcpA precursor encompasses 2 Ig folds (CNA{sub 2} and CNA{sub 3}) and one jelly-roll domain (XNA) each of which synthesizes a single intramolecular amide bond. A fourth amide bond, derived from the Ig fold of CNA{sub 1}, is formed only after pilin subunits have been incorporated into pili. We report that the domains of pilin precursors have evolved to synthesize a discrete sequence of intramolecular amide bonds, thereby conferring structural stability and protease resistance to pili.

  13. Hydrogen bonding in ionic liquids.

    PubMed

    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

  14. Bond strength of adhesive resin cement with different adhesive systems

    PubMed Central

    Lorenzoni e Silva, Fabrizio; Pamato, Saulo; Kuga, Milton-Carlos; Só, Marcus-Vinicius-Reis

    2017-01-01

    Background To assess the immediate bond strength of a dual-cure adhesive resin cement to the hybridized dentin with different bonding systems. Material and Methods Fifty-six healthy human molars were randomly divided into 7 groups (n=8). After 3 longitudinal sections, the central cuts were included in PVC matrix and were submitted to dentin hybridization according to the groups: G1 - etch & rinse system with 3-step (Apder™ Scotchbond™ Multi-Purpose, 3M ESPE), G2 - etch & rinse system with 3-step (Optibond™ FL, Kerr), G3 - etch & rinse system with 3-step (All-Bond 3®, Bisco), G4 - etch & rinse simplified system (Adper™ Single Bond 2, 3M ESPE), G5 - self-etching system with one step (Bond Force, Tokuyama), G6 - universal system in moist dentin (Single Bond Universal, 3M ESPE), G7 - universal system in dry dentin (Single Bond Universal, 3M ESPE). Then all groups received the cementing of a self-adhesive resin cement cylinder (Duo-link, Bisco) made from a polypropylene matrix. In the evaluation of bond strength, the samples were subjected to the microshear test and evaluated according to the fracture pattern by optical microscopy. Results The Kruskal-Wallis test suggests a statistically significant difference between groups (p=0,039), and Tukey for multiple comparisons, indicating a statistically significant difference between G3 and G4 (p<0.05). It was verified high prevalence of adhesive failures, followed by mixed failure and cohesive in dentin. Conclusions The technique and the system used to dentin hybridization are able to affect the immediate bond strength of resin cement dual adhesive. Key words:Adhesion, adhesive resin cement, adhesive systems, microshear. PMID:28149471

  15. Periodic trends in bond dissociation energies. A theoretical study.

    PubMed

    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.

  16. Evaluation of composite bonded joints

    SciTech Connect

    Whitworth, H.A.; Othieno, M.; Yin, S.W.

    1995-12-31

    The present investigation evaluates the influence of joining technique on the static and fatigue behavior of composite bonded joints. Specimens used in this investigation were LDF AS4/PEKK graphite/thermoplastic composites and IM6/3501-6 graphite/poxy composite laminates. Joints were made by either adhesive bonding or fusing bonding. For the adhesive bonded joints, in some cases specimens were bonded without any surface pretreatment while in other cases the surfaces were either grit blast or corona. treated prior to bonding. For the fusion bonded joints, joints were prepared by either induction welding or thermabonding. In addition, some specimens were conditioned in a wet environment for thirty days in order to observe the influence of moisture on the static strengths. During fatigue testing, the residual stiffness was continually monitored in order to assess the extent of fatigue damage development.

  17. Multiple hydrogen bonds in cytosinium zoledronate trihydrate.

    PubMed

    Sridhar, Balasubramanian; Ravikumar, Krishnan

    2011-03-01

    The asymmetric unit of the title compound [systematic name: 4-amino-2-oxo-2,3-dihydropyrimidin-1-ium 1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonate trihydrate], C(4)H(6)N(3)O(+)·C(5)H(9)N(2)O(7)P(2)(-)·3H(2)O, contains one cytosinium cation, one zoledronate anion and three water molecules. The zoledronate anion has a zwitterionic character, in which each phosphonate group is singly deprotonated and an imidazole N atom is protonated. Furthermore, proton transfer takes place from one of the phosphonic acid groups of the zoledronate anion to one of the N atoms of the cytosinium cation. The cytosinium cation forms a C(6) chain, while the zoledronate anion forms a rectangular-shaped centrosymmetric dimer through N-H...O hydrogen bonds. The cations and anions are held together by N-H...O and O-H...O hydrogen bonds to form a one-dimensional polymeric tape. The three water molecules play a crucial role in hydrogen bonding, resulting in a three-dimensional hydrogen-bonded network.

  18. Bond strength of direct and indirect bonded brackets after thermocycling.

    PubMed

    Daub, Jacob; Berzins, David W; Linn, Brandon James; Bradley, Thomas Gerard

    2006-03-01

    Thermocycling simulates the temperature dynamics in the oral environment. With direct bonding, thermocycling reduces the bond strength of orthodontic adhesives to tooth structure. The purpose of this study was to evaluate the shear bond strengths (SBS) of one direct and two indirect bonding methods/adhesives after thermocycling. Sixty human premolars were divided into three groups. Teeth in group 1 were bonded directly with Transbond XT. Teeth in group 2 were indirect bonded with Transbond XT/Sondhi Rapid Set, which is chemically cured. Teeth in group 3 were indirect bonded with Enlight LV/Orthosolo and light cured. Each sample was thermocycled between 5 degrees C and 55 degrees C for 500 cycles. Mean SBS in groups 1, 2, and 3 were not statistically significantly different (13.6 +/- 2.9, 12.3 +/- 3.0, and 11.6 +/- 3.2 MPa, respectively; P > .05). However, when these values were compared with the results of a previous study using the same protocol, but without thermocycling, the SBS was reduced significantly (P = .001). Weibull analysis further showed that group 3 had the lowest bonding survival rate at the minimum clinically acceptable bond-strength range. The Adhesive Remnant Index was also determined, and group 2 had a significantly (P < .05) higher percentage of bond failures at the resin/enamel interface.

  19. Review of methods for fusion bonding thermoplastic composites

    SciTech Connect

    Benatar, A.; Gutowski, T.G.

    1987-02-01

    Bonding of thermoplastic composites is a critical step in the manufacture of aerospace structures. The objective of this project is to investigate different methods for fusion bonding thermoplastic composites quickly, with a good bond strength, and without warping and deconsolidation. This is best accomplished by heating and melting the thermoplastic on the bond surface only, and then pressing the parts together for a fusion bond. For this purpose, a variety of surface heating techniques were examined for bonding of PEEK and J Polymer composites. These included: resistance heating, infrared heating, induction heating, dielectric/microwave heating, and ultrasonic welding. In resistance heating, a single prepreg ply was placed between the composites and heated by passing electric current through the graphite fibers. With induction heating, a single ply of nickel coated graphite fibers was placed between the composites and heated. Ultrasonic welding was done by molding thermoplastic-only energy directors into the composites; the ultrasonic vibration melted these energy directors thereby fusion bonding the parts. 20 references.

  20. Quantitative bond energetics in atomic-scale junctions.

    PubMed

    Aradhya, Sriharsha V; Nielsen, Aileen; Hybertsen, Mark S; Venkataraman, Latha

    2014-07-22

    A direct measurement of the potential energy surface that characterizes individual chemical bonds in complex materials has fundamental significance for many disciplines. Here, we demonstrate that the energy profile for metallic single-atom contacts and single-molecule junctions can be mapped by fitting ambient atomic force microscope measurements carried out in the near-equilibrium regime to a physical, but simple, functional form. We extract bond energies for junctions formed through metallic bonds as well as metal-molecule link bonds from atomic force microscope data and find that our results are in excellent quantitative agreement with density functional theory based calculations for exemplary junction structures. Furthermore, measurements from a large number of junctions can be collapsed to a single, universal force-extension curve, thus revealing a surprising degree of similarity in the overall shape of the potential surface that governs these chemical bonds. Compared to previous studies under ambient conditions where analysis was confined to trends in rupture force, our approach significantly expands the quantitative information extracted from these measurements, particularly allowing analysis of the trends in bond energy directly.

  1. Electrostatic model for hydrogen bonds in alcohols

    SciTech Connect

    Giguere, P.A.; Pigeon-Gosselin, M.

    1988-11-01

    The authors have measured the Raman spectra of liquid methanol at temperatures between 50/sup 0/ and -77/sup 0/C. The weak O-H stretching bands appear, under amplification, more and more asymmetric as the temperature is lowered. They can be decomposed into three Gaussian components centered at about 3220, 3310, and 3400 cm/sup -1/. The former, predominant at low temperature, corresponds to single, linear hydrogen bonds (LHB) between two molecules. The other two are assigned to branched hydrogen bonds, respectively bifurcated (BHB), between three molecules, and trifurcated (THB), between four molecules. They conclude that the molecular structure of liquid alcohols is not chain-like, as presumed so far, but a three-dimensional network featuring a mixture of single (LBH), and multiple hydrogen bonds (BHB, and THB). They are mainly electrostatic in nature, their relative proportions and geometry governed by the packing conditions for minimum energy. They form distinct trimers and tetramers in dilute solutions of alcohols in inert solvents and frozen matrices, and the latter even in the vapor.

  2. Comparison of Bond in Roll-bonded and Adhesively Bonded Aluminums

    NASA Technical Reports Server (NTRS)

    Schwensfeir, R. J., Jr.; Trenkler, G.; Delagi, R. G.; Forster, J. A.

    1985-01-01

    Lap-shear and peel test measurements of bond strength have been carried out as part of an investigation of roll bonding of 2024 and 7075 aluminum alloys. Shear strengths of the bonded material in the F temper are in the range of 14 to 16 ksi. Corresponding peel strengths are 120 to 130 lb/inch. These values, which are three to five times those reported in the literature for adhesively bonded 2024 and 7075, are a result of the true metallurgical bond achieved. The effects of heat-treating the bonded material are described and the improvements in bond strength discussed relative to the shear strength of the parent material. The significance of the findings for aerospace applications is discussed.

  3. Valence bond distribution and correlation in bipartite Heisenberg antiferromagnets

    NASA Astrophysics Data System (ADS)

    Schwandt, David; Alet, Fabien; Oshikawa, Masaki

    2014-03-01

    Every singlet state of a quantum spin-1/2 system can be decomposed into a linear combination of valence bond basis states. The range of valence bonds within this linear combination as well as the correlations between them can reveal the nature of the singlet state and are key ingredients in variational calculations. In this work, we study the bipartite valence bond distributions and their correlations within the ground state of the Heisenberg antiferromagnet on bipartite lattices. In terms of field theory, this problem can be mapped to correlation functions near a boundary. In dimension d ≥2, a nonlinear σ model analysis reveals that at long distances the probability distribution P (r) of valence bond lengths decays as |r|-d-1 and that valence bonds are uncorrelated. By a bosonization analysis, we also obtain P(r )∝|r|-d-1 in d =1 despite the different mechanism. On the other hand, we find that correlations between valence bonds are important even at large distances in d =1, in stark contrast to d ≥2. The analytical results are confirmed by high-precision quantum Monte Carlo simulations in d =1, 2, and 3. We develop a single-projection loop variant of the valence bond projection algorithm, which is well designed to compute valence bond probabilities and for which we provide algorithmic details.

  4. Hydrogen bonds in PC{sub 61}BM solids

    SciTech Connect

    Sheng, Chun-Qi; Li, Wen-Jie; Du, Ying-Ying; Chen, Guang-Hua; Chen, Zheng; Li, Hai-Yang; Li, Hong-Nian

    2015-09-15

    We have studied the hydrogen bonds in PC{sub 61}BM solids. Inter-molecular interaction is analyzed theoretically for the well-defined monoclinic (P2{sub 1}/n) structure. The results indicate that PC{sub 61}BM combines into C–H⋯O{sub d} bonded molecular chains, where O{sub d} denotes the doubly-bonded O atom of PC{sub 61}BM. The molecular chains are linked together by C–H⋯O{sub s} bonds, where O{sub s} denotes the singly-bonded O atom of PC{sub 61}BM. To reveal the consequences of hydrogen bond formation on the structural properties of PC{sub 61}BM solids (not limited to the monoclinic structure), we design and perform some experiments for annealed samples with the monoclinic (P2{sub 1}/n) PC{sub 61}BM as starting material. The experiments include differential scanning calorimetry, X-ray diffraction and infrared absorption measurements. Structural phase transitions are observed below the melting point. The C–H⋯O{sub d} bonds seem persisting in the altered structures. The inter-molecular hydrogen bonds can help to understand the phase separation in polymer/PC{sub 61}BM blends and may be responsible for the existence of liquid PC{sub 61}BM.

  5. [SIBSytem: innovation for bracket bonding?].

    PubMed

    Moreau, Alexis

    2013-06-01

    The orthodontic bracket placement has known two major improvements these last fifty years: first with the ability of bonding brackets directly on the enamel (Newmann 1965); second with the indirect bonding procedure introduced by Silvermann and Cohen in 1972. If we put aside the technological evolutions of bonding materials (brackets and adhesives), few refinements have occurred regarding the protocols in this period of time. Furthermore, direct bonding procedure seems to be used by a majority of orthodontists despite the rapidity, accuracy and ergonomics promised by indirect bonding protocol. The main originality of the system detailed in this article is to bond orthodontic brackets in a virtually predetermined position with indirect bonding advantages but with the efficiency of direct bonding because the adhesive is applied directly on the bracket base without pre-bonding necessity. This innovation has been allowed by the use of up-to-date CFAO technology. The article first describes the two components of the SIBSystem (SIBClip and SIBTray) and details the manufacturing stages. The clinical use is then evoked as well as the cautions and limits of this innovative bonding system.

  6. 27 CFR 28.66 - Strengthening bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... bonds. In all cases where the penal sum of any bond becomes insufficient, the principal shall either give a strengthening bond with the same surety to attain a sufficient penal sum, or give a new bond to... of any bond to less than its full penal sum. Strengthening bonds shall show the current date...

  7. Solder extrusion pressure bonding process and bonded products produced thereby

    DOEpatents

    Beavis, Leonard C.; Karnowsky, Maurice M.; Yost, Frederick G.

    1992-01-01

    Production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about -40.degree. C. and 110.degree. C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  8. Solder extrusion pressure bonding process and bonded products produced thereby

    DOEpatents

    Beavis, L.C.; Karnowsky, M.M.; Yost, F.G.

    1992-06-16

    Disclosed is a process for production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about [minus]40 C and 110 C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  9. An excursion from normal to inverted C-C bonds shows a clear demarcation between covalent and charge-shift C-C bonds.

    PubMed

    Shaik, Sason; Chen, Zhenhua; Wu, Wei; Stanger, Amnon; Danovich, David; Hiberty, Philippe C

    2009-10-19

    What is the nature of the C-C bond? Valence bond and electron density computations of 16 C-C bonds show two families of bonds that flesh out as a phase diagram. One family, involving ethane, cyclopropane and so forth, is typified by covalent C-C bonding wherein covalent spin-pairing accounts for most of the bond energy. The second family includes the inverted bridgehead bonds of small propellanes, where the bond is neither covalent nor ionic, but owes its existence to the resonance stabilization between the respective structures; hence a charge-shift (CS) bond. The dual family also emerges from calculated and experimental electron density properties. Covalent C-C bonds are characterized by negative Laplacians of the density, whereas CS-bonds display small or positive Laplacians. The positive Laplacian defines a region suffering from neighbouring repulsive interactions, which is precisely the case in the inverted bonding region. Such regions are rich in kinetic energy, and indeed the energy-density analysis reveals that CS-bonds are richer in kinetic energy than the covalent C-C bonds. The large covalent-ionic resonance energy is precisely the mechanism that lowers the kinetic energy in the bonding region and restores equilibrium bonding. Thus, different degrees of repulsive strain create two bonding families of the same chemical bond made from a single atomic constituent. It is further shown that the idea of repulsive strain is portable and can predict the properties of propellanes of various sizes and different wing substituents. Experimentally (M. Messerschmidt, S. Scheins, L. Bruberth, M. Patzel, G. Szeimies, C. Paulman, P. Luger, Angew. Chem. 2005, 117, 3993-3997; Angew. Chem. Int. Ed. 2005, 44, 3925-3928), the C-C bond families are beautifully represented in [1.1.1]propellane, where the inverted C-C is a CS-bond, while the wings are made from covalent C-C bonds. What other manifestations can we expect from CS-bonds? Answers from experiment have the potential

  10. Bonding and nondestructive evaluation of graphite/PEEK composite and titanium adherends with thermoplastic adhesives

    NASA Technical Reports Server (NTRS)

    Hodges, W. T.; Tyeryar, J. R.; Berry, M.

    1985-01-01

    Bonded single overlap shear specimens were fabricated from Graphite/PEEK (Polyetheretherketone) composite adherends and titanium adherends. Six advanced thermoplastic adhesives were used for the bonding. The specimens were bonded by an electromagnetic induction technique producing high heating rates and high-strength bonds in a few minutes. This contrasts with conventionally heated presses or autoclaves that take hours to process comparable quality bonds. The Graphite/PEEK composites were highly resistant to delamination during the testing. This allowed the specimen to fail exclusively through the bondline, even at very high shear loads. Nondestructive evaluation of bonded specimens was performed ultrasonically by energizing the entire thickness of the material through the bondline and measuring acoustic impedance parameters. Destructive testing confirmed the unique ultrasonic profiles of strong and weak bonds, establishing a standard for predicting relative bond strength in subsequent specimens.

  11. Bond Sensitivity to Silicone Contamination

    NASA Technical Reports Server (NTRS)

    Caldwell, G. A.; Hudson, W. D.; Hudson, W. D.; Cash, Stephen F. (Technical Monitor)

    2003-01-01

    Currently during fabrication of the Space Shuttle booster rocket motors, the use of silicone and silicone-containing products is prohibited in most applications. Many shop aids and other materials containing silicone have the potential, if they make contact with a bond surface, to transfer some of the silicone to the substrates being bonded. Such transfer could result in a reduction of the bond strength or even failure of the subsequent bonds. This concern is driving the need to understand the effect of silicones and the concentration needed to affect a given bond-line strength. Additionally, as silicone detection methods used for materials acceptance improve what may have gone unnoticed earlier is now being detected. Thus, realistic silicone limits for process materials (below which bond performance is satisfactory) are needed rather than having an absolute no silicone permitted policy.

  12. 31 CFR 363.169 - What transactions can I conduct in a converted savings bond on which I am registered as the...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... registered in the single owner or entity form of registration to a book-entry bond, you have consented to the bond being treated as if it were originally issued as a book-entry bond in TreasuryDirect®. The bond will be subject to the provisions of subpart C of this part. Any transaction available for a...

  13. The evolution of model catalytic systems; studies of structure, bonding and dynamics from single crystal metal surfaces to nanoparticles, and from low pressure (<10(-3) Torr) to high pressure (>10(-3) Torr) to liquid interfaces.

    PubMed

    Somorjai, Gabor A; York, Roger L; Butcher, Derek; Park, Jeong Y

    2007-07-21

    The material and pressure gap has been a long standing challenge in the field of heterogeneous catalysis and have transformed surface science and biointerfacial research. In heterogeneous catalysis, the material gap refers to the discontinuity between well-characterized model systems and industrially relevant catalysts. Single crystal metal surfaces have been useful model systems to elucidate the role of surface defects and the mobility of reaction intermediates in catalytic reactivity and selectivity. As nanoscience advances, we have developed nanoparticle catalysts with lithographic techniques and colloidal syntheses. Nanoparticle catalysts on oxide supports allow us to investigate several important ingredients of heterogeneous catalysis such as the metal-oxide interface and the influence of noble metal particle size and surface structure on catalytic selectivity. Monodispersed nanoparticle and nanowire arrays were fabricated for use as model catalysts by lithographic techniques. Platinum and rhodium nanoparticles in the 1-10 nm range were synthesized in colloidal solutions in the presence of polymer capping agents. The most catalytically active systems are employed at high pressure or at solid-liquid interfaces. In order to study the high pressure and liquid interfaces on the molecular level, experimental techniques with which we bridged the pressure gap in catalysis have been developed. These techniques include the ultrahigh vacuum system equipped with high pressure reaction cell, high pressure Sum Frequency Generation (SFG) vibration spectroscopy, High Pressure Scanning Tunneling Microscopy (HP-STM), and High Pressure X-ray Photoemission Spectroscopy (HP-XPS), and Quartz Crystal Microbalance (QCM). In this article, we overview the development of experimental techniques and evolution of the model systems for the research of heterogeneous catalysis and biointerfacial studies that can shed light on the long-standing issues of materials and pressure gaps.

  14. Determination of trans vitamin K1 in infant and medical nutritional products using AOAC Method 999.15 with modified preparation and extraction procedures and C30 bonded phase chromatography: single-laboratory validation.

    PubMed

    Schimpf, Karen J; Thompson, Linda B; Schmitz, Daniel J

    2010-01-01

    Modifications were made to AOAC Official Method 999.15 to extend its applicability to specialty infant formulas containing hydrolyzed proteins and free amino acids, and to medical and adult nutritional products. Minor changes to the sample preparation procedure and chromatographic separation improved vitamin K1 recoveries and reduced chromatographic interferences in these types of matrixes. Currently AOAC Method 999.15 is applicable only to the determination of total vitamin K1 (phylloquione) in infant formula and milk (fluid, ready-to-feed, and powdered) containing > 1 microg vitamin K1/100 g solids. AOAC Method 999.15 recoveries of vitamin K1 were improved by altering sample sizes, extraction solvents and amounts, and the reagent addition order and amount of water or aqueous solutions added. The chromatographic separation of vitamin K1 in medical nutritional products containing canola and marine oils was improved, and trans vitamin K1 was separated from the biologically inactive cis isomer in all products with a C30 3 microm column and a 100% methanol mobile phase. With these modifications to the extraction procedure and chromatographic separation, AOAC Method 999.15 demonstrated acceptable precision and accuracy for the quantitation of trans vitamin K1 in specialty infant formulas containing hydrolyzed proteins and free amino acids, and medical and adult nutritional products. A single-laboratory validation of these minor modifications was completed. Fourteen different product matrixes were analyzed during validation. The intermediate precision averaged 4.15% RSD (range 2.52-5.81% RSD), and recovery data averaged 100.1% (range 92.2-109%).

  15. Experimental Observation of the Nature of Weak Chemical Bonds in Labile Compounds.

    PubMed

    Hashizume, Daisuke

    2017-02-15

    Accurate single-crystal X-ray diffraction data afford a total electron density distribution for crystalline materials by employing an aspherical atomic model with comparable accuracy to that of theoretical calculations. Chemical bonds and intermolecular interactions in the crystalline state are characterized based on the electron density distribution of valence electrons, as well as structural parameters. Herein, the bonding nature of weak chemical bonds in labile compounds, such as hypervalent bonds and delocalized π-bonds, is explored on the basis of electronic structures derived from experimental electron density distribution analyses. In addition, the visualization of a radicalic orbital distribution on an sp(2) -hydridized carbon atom is demonstrated.

  16. Direct and Auger Electron-Induced, Single- and Double-Strand Breaks on Plasmid DNA Caused by 99mTc-Labeled Pyrene Derivatives and the Effect of Bonding Distance.

    PubMed

    Reissig, Falco; Mamat, Constantin; Steinbach, Joerg; Pietzsch, Hans-Juergen; Freudenberg, Robert; Navarro-Retamal, Carlos; Caballero, Julio; Kotzerke, Joerg; Wunderlich, Gerd

    2016-01-01

    It is evident that 99mTc causes radical-mediated DNA damage due to Auger electrons, which were emitted simultaneously with the known γ-emission of 99mTc. We have synthesized a series of new 99mTc-labeled pyrene derivatives with varied distances between the pyrene moiety and the radionuclide. The pyrene motif is a common DNA intercalator and allowed us to test the influence of the radionuclide distance on damages of the DNA helix. In general, pUC 19 plasmid DNA enables the investigation of the unprotected interactions between the radiotracers and DNA that results in single-strand breaks (SSB) or double-strand breaks (DSB). The resulting DNA fragments were separated by gel electrophoresis and quantified by fluorescent staining. Direct DNA damage and radical-induced indirect DNA damage by radiolysis products of water were evaluated in the presence or absence of the radical scavenger DMSO. We demonstrated that Auger electrons directly induced both SSB and DSB in high efficiency when 99mTc was tightly bound to the plasmid DNA and this damage could not be completely prevented by DMSO, a free radical scavenger. For the first time, we were able to minimize this effect by increasing the carbon chain lengths between the pyrene moiety and the 99mTc nuclide. However, a critical distance between the 99mTc atom and the DNA helix could not be determined due to the significantly lowered DSB generation resulting from the interaction which is dependent on the type of the 99mTc binding motif. The effect of variable DNA damage caused by the different chain length between the pyrene residue and the Tc-core as well as the possible conformations of the applied Tc-complexes was supplemented with molecular dynamics (MD) calculations. The effectiveness of the DNA-binding 99mTc-labeled pyrene derivatives was demonstrated by comparison to non-DNA-binding 99mTcO4-, since nearly all DNA damage caused by 99mTcO4- was prevented by incubating with DMSO.

  17. Direct and Auger Electron-Induced, Single- and Double-Strand Breaks on Plasmid DNA Caused by 99mTc-Labeled Pyrene Derivatives and the Effect of Bonding Distance

    PubMed Central

    Reissig, Falco; Mamat, Constantin; Steinbach, Joerg; Pietzsch, Hans-Juergen; Freudenberg, Robert; Navarro-Retamal, Carlos; Caballero, Julio; Kotzerke, Joerg; Wunderlich, Gerd

    2016-01-01

    It is evident that 99mTc causes radical-mediated DNA damage due to Auger electrons, which were emitted simultaneously with the known γ-emission of 99mTc. We have synthesized a series of new 99mTc-labeled pyrene derivatives with varied distances between the pyrene moiety and the radionuclide. The pyrene motif is a common DNA intercalator and allowed us to test the influence of the radionuclide distance on damages of the DNA helix. In general, pUC 19 plasmid DNA enables the investigation of the unprotected interactions between the radiotracers and DNA that results in single-strand breaks (SSB) or double-strand breaks (DSB). The resulting DNA fragments were separated by gel electrophoresis and quantified by fluorescent staining. Direct DNA damage and radical-induced indirect DNA damage by radiolysis products of water were evaluated in the presence or absence of the radical scavenger DMSO. We demonstrated that Auger electrons directly induced both SSB and DSB in high efficiency when 99mTc was tightly bound to the plasmid DNA and this damage could not be completely prevented by DMSO, a free radical scavenger. For the first time, we were able to minimize this effect by increasing the carbon chain lengths between the pyrene moiety and the 99mTc nuclide. However, a critical distance between the 99mTc atom and the DNA helix could not be determined due to the significantly lowered DSB generation resulting from the interaction which is dependent on the type of the 99mTc binding motif. The effect of variable DNA damage caused by the different chain length between the pyrene residue and the Tc-core as well as the possible conformations of the applied Tc-complexes was supplemented with molecular dynamics (MD) calculations. The effectiveness of the DNA-binding 99mTc-labeled pyrene derivatives was demonstrated by comparison to non-DNA-binding 99mTcO4–, since nearly all DNA damage caused by 99mTcO4– was prevented by incubating with DMSO. PMID:27583677

  18. Highly covalent ferric-thiolate bonds exhibit surprisingly low mechanical stability.

    PubMed

    Zheng, Peng; Li, Hongbin

    2011-05-04

    Depending on their nature, different chemical bonds show vastly different stability with covalent bonds being the most stable ones that rupture at forces above nanonewton. Studies have revealed that ferric-thiolate bonds are highly covalent and are conceived to be of high mechanical stability. Here, we used single molecule force spectroscopy techniques to directly determine the mechanical strength of such highly covalent ferric-thiolate bonds in rubredoxin. We observed that the ferric-thiolate bond ruptures at surprisingly low forces of ∼200 pN, significantly lower than that of typical covalent bonds, such as C-Si, S-S, and Au-thiolate bonds, which typically ruptures at >1.5 nN. And the mechanical strength of Fe-thiolate bonds is observed to correlate with the covalency of the bonds. Our results indicated that highly covalent Fe-thiolate bonds are mechanically labile and display features that clearly distinguish themselves from typical covalent bonds. Our study not only opens new avenues to investigating this important class of chemical bonds, but may also shed new lights on our understanding of the chemical nature of these metal thiolate bonds.

  19. LAMMPS framework for dynamic bonding and an application modeling DNA

    NASA Astrophysics Data System (ADS)

    Svaneborg, Carsten

    2012-08-01

    We have extended the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to support directional bonds and dynamic bonding. The framework supports stochastic formation of new bonds, breakage of existing bonds, and conversion between bond types. Bond formation can be controlled to limit the maximal functionality of a bead with respect to various bond types. Concomitant with the bond dynamics, angular and dihedral interactions are dynamically introduced between newly connected triplets and quartets of beads, where the interaction type is determined from the local pattern of bead and bond types. When breaking bonds, all angular and dihedral interactions involving broken bonds are removed. The framework allows chemical reactions to be modeled, and use it to simulate a simplistic, coarse-grained DNA model. The resulting DNA dynamics illustrates the power of the present framework. Catalogue identifier: AEME_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEME_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public Licence No. of lines in distributed program, including test data, etc.: 2 243 491 No. of bytes in distributed program, including test data, etc.: 771 Distribution format: tar.gz Programming language: C++ Computer: Single and multiple core servers Operating system: Linux/Unix/Windows Has the code been vectorized or parallelized?: Yes. The code has been parallelized by the use of MPI directives. RAM: 1 Gb Classification: 16.11, 16.12 Nature of problem: Simulating coarse-grain models capable of chemistry e.g. DNA hybridization dynamics. Solution method: Extending LAMMPS to handle dynamic bonding and directional bonds. Unusual features: Allows bonds to be created and broken while angular and dihedral interactions are kept consistent. Additional comments: The distribution file for this program is approximately 36 Mbytes and therefore is not delivered directly

  20. On the Relative Merits of Non-Orthogonal and Orthogonal Valence Bond Methods Illustrated on the Hydrogen Molecule

    ERIC Educational Resources Information Center

    Angeli, Celestino; Cimiraglia, Renzo; Malrieu, Jean-Paul

    2008-01-01

    Valence bond (VB) is one of the cornerstone theories of quantum chemistry. Even if in practical applications the molecular orbital (MO) approach has obtained more attention, some basic chemical concepts (such as the nature of the chemical bond and the failure of the single determinant-based MO methods in describing the bond cleavage) are normally…

  1. Pauling bond strength, bond length and electron density distribution

    SciTech Connect

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.; Iversen, Bo B.; Spackman, M. A.

    2014-01-18

    A power law regression equation, = 1.46(<ρ(rc)>/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, <ρ(rc)>, 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 for 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, <ρ(rc)> = 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

  2. Bond breaking in a Morse chain under tension: Fragmentation patterns, higher index saddles, and bond healing

    NASA Astrophysics Data System (ADS)

    Mauguière, F. A. L.; Collins, P.; Ezra, G. S.; Wiggins, S.

    2013-04-01

    We investigate the fragmentation dynamics of an atomic chain under tensile stress. We have classified the location, stability type (indices), and energy of all equilibria for the general n-particle chain, and have highlighted the importance of saddle points with index >1. We show that for an n = 2-particle chain under tensile stress the index 2 saddle plays a central role in organizing the dynamics. We apply normal form theory to analyze phase space structure and dynamics in a neighborhood of the index 2 saddle. We define a phase dividing surface (DS) that enables us to classify trajectories passing through a neighborhood of the saddle point using the values of the integrals associated with the normal form. We also generalize our definition of the dividing surface and define an extended dividing surface (EDS), which is used to sample and classify all trajectories that pass through a phase space neighborhood of the index 2 saddle at total energies less than that of the saddle. Classical trajectory simulations are used to study fragmentation patterns for the n = 2 chain under tension. That is, we investigate the relative probability for breaking one bond versus concerted fission of several (two, in this case) bonds. Initial conditions for trajectories are obtained by sampling the EDS at constant energy. We sample trajectories at fixed energies both above and below the energy of the saddle. The fate of trajectories (single versus multiple bond breakage) is explored as a function of the location of the initial condition on the EDS, and a connection made to the work of Chesnavich on collision-induced dissociation. A significant finding is that we can readily identify trajectories that exhibit bond healing. Such trajectories pass outside the nominal (index 1) transition state for single bond dissociation, but return to the potential well region, possibly several times, before ultimately dissociating.

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

    PubMed

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

    2011-04-12

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

  4. Weld-bonded titanium structures

    NASA Technical Reports Server (NTRS)

    Vaughan, R. W.; Creedon, J. F. (Inventor)

    1976-01-01

    Structurally stronger titanium articles are produced by a weld-bonding technique comprising fastening at least two plates of titanium together using spotwelding and curing an adhesive interspersed between the spot-weld nuggets. This weld-bonding may be employed to form lap joints or to stiffen titanium metal plates.

  5. Coulombic Models in Chemical Bonding.

    ERIC Educational Resources Information Center

    Sacks, Lawrence J.

    1986-01-01

    Describes a bonding theory which provides a framework for the description of a wide range of substances and provides quantitative information of remarkable accuracy with far less computational effort than that required of other approaches. Includes applications, such as calculation of bond energies of two binary hydrides (methane and diborane).…

  6. Computational Chemistry of Adhesive Bonds

    NASA Technical Reports Server (NTRS)

    Phillips, Donald H.

    1999-01-01

    This investigation is intended to determine the electrical mechanical, and chemical properties of adhesive bonds at the molecular level. The initial determinations will be followed by investigations of the effects of environmental effects on the chemistry and properties of the bond layer.

  7. Microwave bonding of MEMS component

    NASA Technical Reports Server (NTRS)

    Barmatz, Martin B. (Inventor); Mai, John D. (Inventor); Jackson, Henry W. (Inventor); Budraa, Nasser K. (Inventor); Pike, William T. (Inventor)

    2005-01-01

    Bonding of MEMs materials is carried out using microwave. High microwave absorbing films are placed within a microwave cavity, and excited to cause selective heating in the skin of the material. This causes heating in one place more than another. Thereby minimizing the effects of the bonding microwave energy.

  8. Ultrasonic Bonding to Metalized Plastic

    NASA Technical Reports Server (NTRS)

    Conroy, B. L.; Cruzan, C. T.

    1986-01-01

    New technique makes it possible to bond wires ultrasonically to conductor patterns on such soft substrates as plain or ceramic-filled polytetrafluoroethylene. With ultrasonic bonding, unpackaged chips attached to soft circuit boards. Preferred because chips require substrate area and better matched electrically to circuit board at high frequencies.

  9. Ultrasonic phosphate bonding of nanoparticles.

    PubMed

    Bassett, David C; Merle, Geraldine; Lennox, Bruce; Rabiei, Reza; Barthelat, François; Grover, Liam M; Barralet, Jake E

    2013-11-06

    Low intensity ultrasound-induced radicals interact with surface adsorbed orthophosphate to bond nanoparticles with high mechanical strength and surface area. Dissimilar materials could be bonded to form robust metallic, ceramic, and organic composite microparticles. 3D nanostructures of a hydrated and amorphous electrocatalyst with carbon nanotubes were also constructed which exceeded the resistance-limited efficiency of 2D electrodes.

  10. Social bonding: regulation by neuropeptides

    PubMed Central

    Lieberwirth, Claudia; Wang, Zuoxin

    2014-01-01

    Affiliative social relationships (e.g., among spouses, family members, and friends) play an essential role in human society. These relationships affect psychological, physiological, and behavioral functions. As positive and enduring bonds are critical for the overall well-being of humans, it is not surprising that considerable effort has been made to study the neurobiological mechanisms that underlie social bonding behaviors. The present review details the involvement of the nonapeptides, oxytocin (OT), and arginine vasopressin (AVP), in the regulation of social bonding in mammals including humans. In particular, we will discuss the role of OT and AVP in the formation of social bonds between partners of a mating pair as well as between parents and their offspring. Furthermore, the role of OT and AVP in the formation of interpersonal bonding involving trust is also discussed. PMID:25009457

  11. The halogen bond in the design of functional supramolecular materials: recent advances.

    PubMed

    Priimagi, Arri; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe

    2013-11-19

    Halogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for molecular recognition and the design of functional materials. First, halogen bonds tend to be much more directional than (single) hydrogen bonds. Second, the interaction strength scales with the polarizability of the bond-donor atom, a feature that researchers can tune through single-atom mutation. In addition, halogen bonds are hydrophobic whereas hydrogen bonds are hydrophilic. Lastly, the size of the bond-donor atom (halogen) is significantly larger than hydrogen. As a result, halogen bonding provides supramolecular chemists with design tools that cannot be easily met with other types of noncovalent interactions and opens up unprecedented possibilities in the design of smart functional materials. This Account highlights the recent advances in the design of halogen-bond-based functional materials. Each of the unique features of halogen bonding, directionality, tunable interaction strength, hydrophobicity, and large donor atom size, makes a difference. Taking advantage of the hydrophobicity, researchers have designed small-size ion transporters. The large halogen atom size provided a platform for constructing all-organic light-emitting crystals that efficiently generate triplet electrons and have a high phosphorescence quantum yield. The tunable interaction strengths provide tools for understanding light-induced macroscopic motions in photoresponsive azobenzene-containing polymers, and the directionality renders halogen bonding useful in the design on functional supramolecular liquid crystals and gel-phase materials. Although halogen bond based functional materials design is still in its infancy, we foresee a bright future for this field. We expect that materials designed based on halogen bonding could lead to

  12. Halogen bonding (X-bonding): A biological perspective

    PubMed Central

    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

  13. Comparative evaluation of microtensile bond strength of different solvent based one step and two step adhesive systems to dentin. An in-vitro study

    PubMed Central

    Somasundaram, Pavithra; Uthappa, Roshan; Shivgange, Vinay; Shivamurthy, GB; Shivanna, Vasundhara

    2013-01-01

    Aim and Objective: To compare and evaluate the micro tensile bond strength of different solvent based one step and two step adhesive systems to dentin. Materials and Methods: Sixty recently extracted human mandibular premolars were subjected for the study and divided into 4 groups of fifteen each. The adhesive materials Single Bond, Prime and Bond XP, Clearfil S3 Bond and G-Bond were applied to flat dentin surfaces according to the manufacturer's instructions. After resin composite build up, teeth were sectioned to obtain beams with an approximate cross sectional area of 2 mm2 and stressed to failure. Data were analysed statistically by ANOVA and student Neuman Keuls multiple comparison tests. Results: The study demonstrated that Single Bond has better bond strength to dentin compared to the other adhesive systems. Conclusion: Ethanol and water based two-step adhesive Single Bond exhibited significantly higher microtensile bond strength values to dentin among all the adhesive systems tested. PMID:23956544

  14. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false New bond. 25.95 Section 25... TREASURY LIQUORS BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  15. 27 CFR 25.95 - New bond.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false New bond. 25.95 Section 25... TREASURY LIQUORS BEER Bonds and Consents of Surety § 25.95 New bond. The appropriate TTB officer may at any time, at his or her discretion, require a new bond. A new bond is required immediately in the case...

  16. 27 CFR 24.153 - Strengthening bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Strengthening bonds. In any instance where the penal sum of the bond on file becomes insufficient, the principal shall either give a strengthening bond with the same surety to attain a sufficient penal sum or give a... limiting the amount of either bond to less than its full penal sum. Strengthening bonds will show...

  17. 27 CFR 19.246 - Strengthening bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Strengthening bonds. In all cases when the penal sum of any bond becomes insufficient, the principal shall either give a strengthening bond with the same surety to attain a sufficient penal sum, or give a new... amount of any bond to less than its full penal sum. Strengthening bonds shall show the current date...

  18. Shear bond strength of resin composite bonded with two adhesives: Influence of Er: YAG laser irradiation distance

    PubMed Central

    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

  19. Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities

    SciTech Connect

    Gibbs, Gerald V.; Cox, David; Crawford, T Daniel; Rosso, Kevin M.; Ross, Nancy; Downs, R. T.

    2006-02-28

    A classification of the HF bonded interactions comprising a large number of molecules has been proposed by Espinosa et al. [J. Chem. Phys. 117, 5529 (2002)] based on the ratio |V(rc)|/G(rc) where |V(rc)| is the magnitude of the local potential energy density and G(rc) is the local kinetic density evaluated at the bond critical points, rc. A calculation of the ratio for the MO bonded interactions comprising a relatively large number of molecules and earth materials, together with the constraints imposed by the values of Ñ2ρ(rc) and the local electronic energy density H(rc) = G(rc) + V(rc) in the HF study, yielded the same classification for the oxides as found for the fluorides. This is true despite the different trends of the bond critical point and local energy properties with the bond length displayed by the HF and MO bonded interactions. LiO, NaO and MgO bonded interactions classify as closed shell ionic bonds, BeO, AlO, SiO, BO and PO bonded interactions classify as bonds of intermediate character and NO bonded interactions classify as shared covalent bonds. CO and SO bonded interactions classify as both intermediate and covalent bonded interactions. The CO triple bonded interaction classifies as a bond of intermediate character and the CO single bonded interaction classifies as a covalent bond whereas their H(rc) value indicates that they are both covalent bonds. The |V(rc)|/G(rc) ratios for the BeO, AlO and SiO bonded interactions indicate that they have a substantial component of ionic character despite their classification as bonds of intermediate character. The trend between |V(rc)|/G(rc) and the character of the bonded interaction is consistent with trends expected from electronegativity considerations. The connection between the net charges and the experimental SiO bond length evaluated for the Si and O atoms comprising two orthosilicates are examined in terms of the |V(rc)|/G(rc) values.

  20. Stainless steel and silicon direct interface synthesis: Chemical bonding effects

    NASA Astrophysics Data System (ADS)

    Cox, Michael J.

    Planar stainless steel/stainless steel interfaces, with and without a titanium interlayer and silicon/silicon interfaces have been produced in an ultra high vacuum (UHV) diffusion bonding/deposition instrument. Interface synthesis was accomplished by diffusion bonding two substrates after subjecting the substrate surfaces to a variety of pre-bonding treatments including heat treating, ion-beam sputter cleaning and thin film deposition. Chemical characterization was performed in situ by Auger electron spectroscopy (AES) prior to deposition and/or bonding and ex situ by energy dispersive X-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS). Additionally, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and atomic force microscopy (AFM) were used to study interfaces before and after bonding. Diffusion bonding behavior of stainless steel depends strongly on the chemistry of the surfaces to be bonded. Very smooth, mechanically polished and lapped substrates would bond completely in UHV in 1 hour at 1000°C under 3.5 MPa uniaxial pressure, if the native oxide on the substrates was removed by ion beam cleaning. No voids were observed in these bonded interfaces as studied by TEM and the strength was equal to the unbonded bare material. When an electron beam deposited, 200 A titanium interlayer was added to the stainless steel interface, while bonding under the same conditions, mechanical tensile testing resulted in very low strength when compared with that of chemically clean stainless steel interfaces. Analytical inspection of the interfaces, performed with EELS, EDS, and convergent beam electron diffraction (CBED) coupled with images from TEM and SEM, showed the reason for the significantly reduced strength is a result of limited contact area and delamination between titanium carbide particles precipitated in the interface. Silicon wafers bicrystals were synthesized by bonding two single-crystal substrates. Silicon wafers were

  1. Metal-Metal Bonding in Uranium-Group 10 Complexes.

    PubMed

    Hlina, Johann A; Pankhurst, James R; Kaltsoyannis, Nikolas; Arnold, Polly L

    2016-03-16

    Heterobimetallic complexes containing short uranium-group 10 metal bonds have been prepared from monometallic IU(IV)(OAr(P)-κ(2)O,P)3 (2) {[Ar(P)O](-) = 2-tert-butyl-4-methyl-6-(diphenylphosphino)phenolate}. The U-M bond in IU(IV)(μ-OAr(P)-1κ(1)O,2κ(1)P)3M(0), M = Ni (3-Ni), Pd (3-Pd), and Pt (3-Pt), has been investigated by experimental and DFT computational methods. Comparisons of 3-Ni with two further U-Ni complexes XU(IV)(μ-OAr(P)-1κ(1)O,2κ(1)P)3Ni(0), X = Me3SiO (4) and F (5), was also possible via iodide substitution. All complexes were characterized by variable-temperature NMR spectroscopy, electrochemistry, and single crystal X-ray diffraction. The U-M bonds are significantly shorter than any other crystallographically characterized d-f-block bimetallic, even though the ligand flexes to allow a variable U-M separation. Excellent agreement is found between the experimental and computed structures for 3-Ni and 3-Pd. Natural population analysis and natural localized molecular orbital (NLMO) compositions indicate that U employs both 5f and 6d orbitals in covalent bonding to a significant extent. Quantum theory of atoms-in-molecules analysis reveals U-M bond critical point properties typical of metallic bonding and a larger delocalization index (bond order) for the less polar U-Ni bond than U-Pd. Electrochemical studies agree with the computational analyses and the X-ray structural data for the U-X adducts 3-Ni, 4, and 5. The data show a trend in uranium-metal bond strength that decreases from 3-Ni down to 3-Pt and suggest that exchanging the iodide for a fluoride strengthens the metal-metal bond. Despite short U-TM (transition metal) distances, four other computational approaches also suggest low U-TM bond orders, reflecting highly transition metal localized valence NLMOs. These are more so for 3-Pd than 3-Ni, consistent with slightly larger U-TM bond orders in the latter. Computational studies of the model systems (PH3)3MU(OH)3I (M = Ni, Pd) reveal

  2. Metal–Metal Bonding in Uranium–Group 10 Complexes

    PubMed Central

    2016-01-01

    Heterobimetallic complexes containing short uranium–group 10 metal bonds have been prepared from monometallic IUIV(OArP-κ2O,P)3 (2) {[ArPO]− = 2-tert-butyl-4-methyl-6-(diphenylphosphino)phenolate}. The U–M bond in IUIV(μ-OArP-1κ1O,2κ1P)3M0, M = Ni (3–Ni), Pd (3–Pd), and Pt (3–Pt), has been investigated by experimental and DFT computational methods. Comparisons of 3–Ni with two further U–Ni complexes XUIV(μ-OArP-1κ1O,2κ1P)3Ni0, X = Me3SiO (4) and F (5), was also possible via iodide substitution. All complexes were characterized by variable-temperature NMR spectroscopy, electrochemistry, and single crystal X-ray diffraction. The U–M bonds are significantly shorter than any other crystallographically characterized d–f-block bimetallic, even though the ligand flexes to allow a variable U–M separation. Excellent agreement is found between the experimental and computed structures for 3–Ni and 3–Pd. Natural population analysis and natural localized molecular orbital (NLMO) compositions indicate that U employs both 5f and 6d orbitals in covalent bonding to a significant extent. Quantum theory of atoms-in-molecules analysis reveals U–M bond critical point properties typical of metallic bonding and a larger delocalization index (bond order) for the less polar U–Ni bond than U–Pd. Electrochemical studies agree with the computational analyses and the X-ray structural data for the U–X adducts 3–Ni, 4, and 5. The data show a trend in uranium–metal bond strength that decreases from 3–Ni down to 3–Pt and suggest that exchanging the iodide for a fluoride strengthens the metal–metal bond. Despite short U–TM (transition metal) distances, four other computational approaches also suggest low U–TM bond orders, reflecting highly transition metal localized valence NLMOs. These are more so for 3–Pd than 3–Ni, consistent with slightly larger U–TM bond orders in the latter. Computational studies of the model systems (PH3)3MU(OH)3I

  3. Structural Health Monitoring of a Bonded Composite Patch Repair on a Fatigue-Cracked F-111C Wing

    DTIC Science & Technology

    2008-03-01

    patched crack, there were some difficulties in reconciling the NDI and fractographic observations just prior to failure of the wing in the fatigue test ...29 6.2 Discussion of Results 6.2.1 Bond Strengths and Failure Modes Environmental degradation of the adhesive bond would be manifested in the test ...the bond test plugs are shown together with the bond strength in MPa and failure mode. The locations of strain gauge strips and single gauges are also

  4. 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.

  5. Method of bonding

    DOEpatents

    Saller, deceased, Henry A.; Hodge, Edwin S.; Paprocki, Stanley J.; Dayton, Russell W.

    1987-12-01

    1. A method of making a fuel-containing structure for nuclear reactors, comprising providing an assembly comprising a plurality of fuel units; each fuel unit consisting of a core plate containing thermal-neutron-fissionable material, sheets of cladding metal on its bottom and top surfaces, said cladding sheets being of greater width and length than said core plates whereby recesses are formed at the ends and sides of said core plate, and end pieces and first side pieces of cladding metal of the same thickness as the core plate positioned in said recesses, the assembly further comprising a plurality of second side pieces of cladding metal engaging the cladding sheets so as to space the fuel units from one another, and a plurality of filler plates of an acid-dissolvable nonresilient material whose melting point is above 2000.degree. F., each filler plate being arranged between a pair of said second side pieces and the cladding plates of two adjacent fuel units, the filler plates having the same thickness as the second side pieces; the method further comprising enclosing the entire assembly in an envelope; evacuating the interior of the entire assembly through said envelope; applying inert gas under a pressure of about 10,000 psi to the outside of said envelope while at the same time heating the assembly to a temperature above the flow point of the cladding metal but below the melting point of any material of the assembly, whereby the envelope is pressed against the assembly and integral bonds are formed between plates, sheets, first side pieces, and end pieces and between the sheets and the second side pieces; slowly cooling the assembly to room temperature; removing the envelope; and dissolving the filler plates without attacking the cladding metal.

  6. A History of the Double-Bond Rule

    NASA Astrophysics Data System (ADS)

    Hoogenboom, Bernard E.

    1998-05-01

    The tautomeric polar systems recognized by Laar in 1886 contain an active atom that appeared to migrate from its original position. The tautomeric systems are of a general structural form and can be represented as X=Y-Z-A. Later workers recognized the same bond weakening effect in a variety of organic structures in which atom A is halogen, hydrogen, carbon, or nitrogen. Hermann Staudinger recognized the weakness of that bond, an allyl bond, in hydrocarbons and exploited the behavior for the preparation of isoprene from terpene hydrocarbons. In 1922 he formulated a generality, a rule, regarding the allyl bond reactivity He noted that natural rubber also decomposed to form isoprene and therefore concluded that natural rubber is an unsaturated hydrocarbon, that isoprene units in natural rubber represent weakly held allyl substituents, and that natural rubber is a macromolecular combination of isoprene units. From his different experience as an industrial chemist, Otto Schmidt recognized the same bond weakening effect in hydrocarbons and in 1932 postulated the "Double-Bond Rule," stating that the presence of a double bond in a hydrocarbon has an alternating strengthening and weakening effect on single bonds throughout the molecule, diminishing with distance from the double bond. Schmidt not only understood the practical benefit of this rule, but he also offered an explanation for the Rule on theoretical grounds. Novel in its time, his theoretical explanation did not find popular acceptance, despite his considerable efforts to promote it in the literature. His concept of the Rule was supplanted by the new theory of resonance devised by Pauling and Wheland and by the implied notion of the stabilization of products by delocalization effects.

  7. Catalytic activation of carbon-carbon bonds in cyclopentanones.

    PubMed

    Xia, Ying; Lu, Gang; Liu, Peng; Dong, Guangbin

    2016-11-24

    In the chemical industry, molecules of interest are based primarily on carbon skeletons. When synthesizing such molecules, the activation of carbon-carbon single bonds (C-C bonds) in simple substrates is strategically important: it offers a way of disconnecting such inert bonds, forming more active linkages (for example, between carbon and a transition metal) and eventually producing more versatile scaffolds. The challenge in achieving such activation is the kinetic inertness of C-C bonds and the relative weakness of newly formed carbon-metal bonds. The most common tactic starts with a three- or four-membered carbon-ring system, in which strain release provides a crucial thermodynamic driving force. However, broadly useful methods that are based on catalytic activation of unstrained C-C bonds have proven elusive, because the cleavage process is much less energetically favourable. Here we report a general approach to the catalytic activation of C-C bonds in simple cyclopentanones and some cyclohexanones. The key to our success is the combination of a rhodium pre-catalyst, an N-heterocyclic carbene ligand and an amino-pyridine co-catalyst. When an aryl group is present in the C3 position of cyclopentanone, the less strained C-C bond can be activated; this is followed by activation of a carbon-hydrogen bond in the aryl group, leading to efficient synthesis of functionalized α-tetralones-a common structural motif and versatile building block in organic synthesis. Furthermore, this method can substantially enhance the efficiency of the enantioselective synthesis of some natural products of terpenoids. Density functional theory calculations reveal a mechanism involving an intriguing rhodium-bridged bicyclic intermediate.

  8. Nature of the chemical bond and origin of the inverted dipole moment in boron fluoride: a generalized valence bond approach.

    PubMed

    Fantuzzi, Felipe; Cardozo, Thiago Messias; Nascimento, Marco Antonio Chaer

    2015-05-28

    The generalized product function energy partitioning (GPF-EP) method has been applied to investigate the nature of the chemical bond and the origin of the inverted dipole moment of the BF molecule. The calculations were carried out with GPF wave functions treating all of the core electrons as a single Hartree-Fock group and the valence electrons at the generalized valence bond perfect-pairing (GVB-PP) or full GVB levels, with the cc-pVTZ basis set. The results show that the chemical structure of both X (1)Σ(+) and a (3)Π states is composed of a single bond. The lower dissociation energy of the excited state is attributed to a stabilizing intraatomic singlet coupling involving the B 2sp-like lobe orbitals after bond dissociation. An increase of electron density on the B atom caused by the reorientation of the boron 2sp-like lobe orbitals is identified as the main responsible effect for the electric dipole inversion in the ground state of BF. Finally, it is shown that π back-bonding from fluorine to boron plays a minor role in the electron density displacement to the bonding region in both states. Moreover, this effect is associated with changes in the quasi-classical component of the electron density only and does not contribute to covalency in either of the states. Therefore, at least for the case of the BF molecule, the term back-bonding is misleading, since it does not contribute to the bond formation.

  9. Tensile Bond Strength of Latex-Modified Bonded Concrete Overlays

    NASA Astrophysics Data System (ADS)

    Dubois, Cameron; Ramseyer, Chris

    2010-10-01

    The tensile bond strength of bonded concrete overlays was tested using the in-situ pull-off method described in ASTM C 1583 with the goal of determining whether adding latex to the mix design increases bond strength. One slab of ductile concrete (f'c > 12,000 psi) was cast with one half tined, i.e. roughened, and one half steel-troweled, i.e. smooth. The slab surface was sectioned off and overlay mixtures containing different latex contents cast in each section. Partial cores were drilled perpendicular to the surface through the overlay into the substrate. A tensile loading device applied a direct tensile load to each specimen and the load was increased until failure occurred. The tensile bond strength was then calculated for comparison between the specimens.

  10. Method of bond strength evaluation for silicon direct wafer bonding

    NASA Astrophysics Data System (ADS)

    Spivak, Alexander; Avagyan, Avag; Davies, Brady R.

    2001-09-01

    A crack-opening method used for characterization of silicon direct wafer bonding (DWB) techniques was analyzed. Mathematical model describing the influence of the pattern shape on the wafer pair resistance curve, so-called the R-curve, was developed. Two-dimensional patterns were created on a mirror-polished silicon wafer surface by a combination of photolithography, deposition and etching steps. Experimental observations did show that structured wafers can be used for large bond energy measurements. We propose utilization of structured wafers for bond energy measurements. It allows R-curve shape manipulation, increases the method sensitivity, and reduces probability of wafer failure. The resulting theory can also be used for developing new experimental methods for large bond energy measurements.

  11. Cross dehydrogenative arylation (CDA) of a benzylic C-H bond with arenes by iron catalysis.

    PubMed

    Li, Yi-Zhou; Li, Bi-Jie; Lu, Xing-Yu; Lin, Song; Shi, Zhang-Jie

    2009-01-01

    Hooking up: FeCl(2) catalyzes the efficient cross dehydrogenative arylation of substrates having benzylic C-H bonds (see scheme). High regioselectivity was observed during the cross-coupling between compounds containing aromatic C(sp(2))-H bonds and benzylic C(sp(3))-H bonds. This process is proposed to proceed by single-electron-transfer oxidation and Friedel-Crafts alkylation.

  12. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues

    SciTech Connect

    Beletskiy, Evgeny V.; Schmidt, Jacob C.; Wang, Xue B.; Kass, Steven R.

    2012-11-14

    Enzymes and their mimics use hydrogen bonds to catalyze chemical transformations. Small molecule transition state analogs of oxyanion holes are characterized by gas phase IR and photoelectron spectroscopy and their binding constants in acetonitrile. As a result, a new class of hydrogen bond catalysts is proposed (OH donors that can contribute three hydrogen bonds to a single functional group) and demonstrated in a Friedel-Crafts reaction.

  13. Effect of adhesive layers on microshear bond strength of nanocomposite resin to dentin

    PubMed Central

    Ebrahim, Mohamed I.

    2017-01-01

    Background Bond strength of adhesive layer can absorb unwanted stresses of polymerization shrinkage in composite resin restorations; increased microshear bond strength can prevent failure of restoration materials, the purpose of this study was to evaluate the effect of adhesive layers on microshear bond strength of nanocomposite resin to dentin. Material and Methods Two different types of adhesive systems: universal adhesive (ExciTE) and newly developed adhesive (Nano-Bond), and one type of light-cured resin restorative material (Nanocomposite resin) were used in this study. The occlusal surfaces of extracted human molar teeth were ground perpendicular to the long axis of each tooth to expose a flat dentin surface. The adhesives were applied on dentin surfaces (single application or double application). Nanocomposite resin was then placed and light cured for 40 seconds. After 24 hours of immersion in water at 37°C, then subjected to thermocycling before testing, a microshear bond test was carried out. The data were analyzed by a two-way ANOVA. For comparison between groups, Tukey’s post-hoc test was used. Results The mean bond strengths of ExciTE and Nano-Bond adhesives with a single application were 8.8 and 16.6 MPa, respectively. The mean bond strengths of ExciTE and Nano-Bond adhesives with double application were 13.2 and 21.8MPa, respectively. There were no statistically significant differences in microshear bond strengths between the single application of Nano-Bond and the double application of ExciTE adhesives. Conclusions Microshear bond strength increased significantly as the applied adhesive layer was doubled. Key words:Adhesive, microshear, bond, strength, nanocomposite. PMID:28210433

  14. Method for vacuum fusion bonding

    DOEpatents

    Ackler, Harold D.; Swierkowski, Stefan P.; Tarte, Lisa A.; Hicks, Randall K.

    2001-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  15. Fusion bonding and alignment fixture

    DOEpatents

    Ackler, Harold D.; Swierkowski, Stefan P.; Tarte, Lisa A.; Hicks, Randall K.

    2000-01-01

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all the components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  16. Bond selective chemistry beyond the adiabatic approximation

    SciTech Connect

    Butler, L.J.

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  17. Influence of charge and coordination number on bond dissociation energies, distances, and vibrational frequencies for the phosphorus-phosphorus bond.

    PubMed

    Chitnis, Saurabh S; Whalen, J Marc; Burford, Neil

    2014-09-03

    We report a comprehensive and systematic experimental and computational assessment of the P-P bond in prototypical molecules that represent a rare series of known compounds. The data presented complement the existing solid-state structural data and previous computational studies to provide a thorough thermodynamic and electronic understanding of the P-P bond. Comparison of homolytic and heterolytic bond dissociation for tricoordinate-tricoordinate, tricoordinate-tetracoordinate, and tetracoordinate-tetracoordinate P-P bonds in frameworks 1-6 provides fundamental insights into covalent bonding. For all types of P-P bond discussed, homolytic dissociation is favored over heterolytic dissociation, although the distinction is small for 2(1+) and 6(1+). The presence of a single cationic charge in a molecule substantially strengthens the P-P bond (relative to analogous neutral frameworks) such that it is comparable with the C-C bond in alkanes. Nevertheless, P-P distances are remarkably independent of molecular charge or coordination number, and trends in values of d(PC) and νsymm(PC) imply that a molecular cationic charge is distributed over the alkyl substituents. In the gas phase, the diphosphonium dication 3(2+) has similar energy to two [PMe3](+) radical cations, so that it is the lattice enthalpy of 3[OTf]2 in the solid-state that enables isolation, highlighting that values from gas-phase calculations are poor guides for synthetic planning for ionic compounds. There are no relationships or correlations between bond lengths, strengths, and vibrational frequencies.

  18. 27 CFR 19.245 - Bonds and penal sums of bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bonds and penal sums of... Bonds and penal sums of bonds. The bonds, and the penal sums thereof, required by this subpart, are as follows: Penal Sum Type of bond Basis Minimum Maximum (a) Operations bond: (1) One plant bond—...

  19. 77 FR 553 - Surety Companies Acceptable on Federal Bonds: Termination; Western Bonding Company

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-05

    ... Fiscal Service Surety Companies Acceptable on Federal Bonds: Termination; Western Bonding Company AGENCY... Company (NAIC 13191) under 31 U.S.C. 9305 to qualify as an acceptable surety on Federal bonds is... bonds, including continuous bonds, currently in force with above listed Company, bond-approving...

  20. 27 CFR 25.94 - Strengthening bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...) Requirement. When the penal sum of the brewer's bond (calculated as provided in § 25.93) in effect is not... strengthening bond in sufficient penal sum if the surety is the same as on the bond in effect. If the surety is... bond may not in any way release a former bond or limit a bond to less than the full penal sum. (c)...

  1. Testing Adhesive Bonds to Cloths

    NASA Technical Reports Server (NTRS)

    Thomann, David G.

    1987-01-01

    Nondestructive tool simple and inexpensive. Easy-to-use tool nondestructively tests strength of adhesive bond between cloth and straight rigid edge. Developed for testing advanced flexible reusable surface insulation.

  2. A conceptual framework of bonding.

    PubMed

    Gay, J

    1981-01-01

    Nurses involved in maternal-infant child care should objectively analyze any tools that purport to measure attachment and/or bonding. Has the author adequately defined the terms? Are directions given for making concepts operational for the practicing nurse? What are the foundations for placing values on parental behaviors? Do deviant parental behaviors reflect poor attachment or bonding, or are such behaviors merely indicative of limited parental opportunities for acquaintance? The presentation of of any conceptual framework should not be considered complete without empirical testing. Such testing and peer critique of a framework are essential fro any theory of bonding to evolve. With further research into the parental-child relationship, nurses can learn to provide adequate care for facilitating the bonding process in families.

  3. Semiquantal analysis of hydrogen bond

    NASA Astrophysics Data System (ADS)

    Ando, Koji

    2006-07-01

    The semiquantal time-dependent Hartree (SQTDH) theory is applied to the coupled Morse and modified Lippincott-Schroeder (LS) model potentials of hydrogen bond. The structural correlation between the heavy atoms distance and the proton position, the geometric isotope effect, the energy of hydrogen bond formation, and the proton vibrational frequency shift are examined in a broad range of structural parameters. In particular, the geometric isotope effect is found to depend notably on the choice of the potential model, for which the LS potential gives the isotope shift of the heavy atoms distance in the range of 0.02-0.04Å, in quantitative agreement with the experimental findings from assortment of hydrogen bonding crystals. The fourth-order expansion approximation to the semiquantal extended potential was confirmed to be highly accurate in reproducing the full SQTDH results. The approximation is computationally efficient and flexible enough to be applied to general models of hydrogen bond.

  4. Method to improve commercial bonded SOI material

    DOEpatents

    Maris, Humphrey John; Sadana, Devendra Kumar

    2000-07-11

    A method of improving the bonding characteristics of a previously bonded silicon on insulator (SOI) structure is provided. The improvement in the bonding characteristics is achieved in the present invention by, optionally, forming an oxide cap layer on the silicon surface of the bonded SOI structure and then annealing either the uncapped or oxide capped structure in a slightly oxidizing ambient at temperatures greater than 1200.degree. C. Also provided herein is a method for detecting the bonding characteristics of previously bonded SOI structures. According to this aspect of the present invention, a pico-second laser pulse technique is employed to determine the bonding imperfections of previously bonded SOI structures.

  5. Bond percolation in higher dimensions

    NASA Astrophysics Data System (ADS)

    Corwin, Eric I.; Stinchcombe, Robin; Thorpe, M. F.

    2013-07-01

    We collect results for bond percolation on various lattices from two to fourteen dimensions that, in the limit of large dimension d or number of neighbors z, smoothly approach a randomly diluted Erdős-Rényi graph. We include results on bond-diluted hypersphere packs in up to nine dimensions, which show the mean coordination, excess kurtosis, and skewness evolving smoothly with dimension towards the Erdős-Rényi limit.

  6. Machine Gun Liner Bond Strength

    DTIC Science & Technology

    2007-08-01

    investigation does not constitute a complete analysis of liner failures in the M2 machine gun. The fact that two different liner-failure modes were...An order-of-magnitude estimate can be made of the bond strength in this case using a standard elastic analysis and some reasonable assumptions... analysis of the forces on the machine gun bullet, it was found that the measured bond strength was adequate to resist the reaction forces produced when

  7. Catalytic σ-Bond Metathesis

    NASA Astrophysics Data System (ADS)

    Reznichenko, Alexander L.; Hultzsch, Kai C.

    This account summarizes information on recently reported applications of organo-rare-earth metal complexes in various catalytic transformations of small molecules. The σ-bond metathesis at d0rare-earth metal centers plays a pivotal role in carbon-carbon and carbon-heteroatom bond forming processes. Relevant mechanistic details are discussed and the focus of the review lies in practical applications of organo-rare-earth metal complexes.

  8. 31 CFR 363.168 - What rules regarding registration apply to a converted savings bond?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... any eligible series registered in the single owner or entity form of registration to book-entry in... owner with beneficiary form of registration to a book-entry bond in TreasuryDirect, the owner has.... (c) Savings bond of Series E registered in the owner with beneficiary form of registration....

  9. Effect of solvents on bonding to root canal dentin.

    PubMed

    Erdemir, Ali; Eldeniz, Ayce Unverdi; Belli, Sema; Pashley, David H

    2004-08-01

    The long-term success of resin cementation of post/cores is likely increased with improvement in resin-root canal dentin bonding. The adverse effect of some irrigation constituents (NaOCl, H2O2) or medications (eugenol) on the bond strengths of resins to dentin have been reported. The purpose of this in vitro study was to evaluate the effect of two gutta-percha solvents (chloroform versus halothane) on microtensile bond strength to root canal dentin. Thirty, extracted, human, single-rooted teeth were instrumented to a #70 file and randomly divided into 3 groups of 10 each. The root canals were treated with water, chloroform, or halothane for 60 s. All root canals were obturated using C&B Metabond. After 24 h of storage in distilled water, serial 1-mm-thick cross-sections were cut and trimmed. Microtensile bond strength to apical, middle, and coronal root canal dentin were measured using an Instron machine. Using pooled data, the results indicated that water-treated roots had significantly higher resin-dentin bond strengths compared with chloroform or halothane treatment groups (control: 23.9 MPa; chloroform: 18.3 MPa; halothane: 17 MPa; p < 0.05). Gutta-percha solvents have an adverse effect on bond strengths of adhesive cements to root canal dentin.

  10. Water's dual nature and its continuously changing hydrogen bonds.

    PubMed

    Henchman, Richard H

    2016-09-28

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

  11. Metal carbon bond energies for adsorbed hydrocarbons from calorimetric data

    NASA Astrophysics Data System (ADS)

    Gross, Heike; Campbell, Charles T.; King, David A.

    2004-11-01

    Single crystal adsorption calorimetry (SCAC) is a powerful new method for measuring adsorption and reaction energies. Particularly for hydrocarbons, where little or no information is available from either experiment or theory on well-defined surfaces, this method can provide crucially needed information. Assignment of the measured calorimetric heats to the appropriate surface reaction yields directly reaction heats and heats of formation of surface species. An important extension using these results is to derive values for metal-carbon bond energies in adsorbed hydrocarbon species. In this paper we review the definition of the bond dissociation energy for a surface species and discuss methodologies and limitations for calculating accurate values of this quantity from measured calorimetric data. As a step in establishing benchmark data for adsorbed hydrocarbons, we calculate a Pt-C σ bond strength, < D(Pt-C)>, of about 245 kJ/mol from data for ethylidyne on Pt{1 1 1}. Two independent methods, the quasiempirical valence bond (QVB) method and an average bond energy (ABE) method, were used to obtain this value, and the two values derived from these two approaches agree quite well. We also discuss the implications and applicability of this value of D(Pt-C) for other adsorbed hydrocarbons and on other Pt surfaces, and estimates of how this bond energy should differ when the C atom's ligands are different.

  12. Fabrication of a high power Faraday isolator by direct bonding

    NASA Astrophysics Data System (ADS)

    Rothhardt, Carolin; Rekas, Miroslaw; Kalkowski, Gerhard; Haarlammert, Nicoletta; Eberhardt, Ramona; Tünnermann, Andreas

    2013-03-01

    With increasing output power of lasers, absorption in optical components grows larger and demands on heat withdrawal become challenging. We report on the fabrication of a Faraday isolator for high power fiber laser applications (P = 1 kW) at a wavelength of 1080 nm and operation at ambient conditions. We investigate direct bonding of Terbium Gallium Garnet to sapphire disks, to benefit from the good heat spreading properties (having a 6-fold higher thermal conductivity than TGG) at high transparency of the latter. Successful bonding was achieved by extensive cleaning of the plane and smooth surfaces prior to low pressure plasma activation. The surfaces to be bonded were then contacted in a vacuum environment at elevated temperature under axial load. Our measurements show that the bonded interface has no measurable influence on transmission properties and bonded samples are stable for laser output powers of at least 260 W. As compared to a single Terbium Gallium Garnet substrate, wavefront aberrations were significantly decreased by bonding sapphire disks to Terbium Gallium Garnet.

  13. Influence of Er:YAG and Ti:sapphire laser irradiation on the microtensile bond strength of several adhesives to dentin.

    PubMed

    Portillo, M; Lorenzo, M C; Moreno, P; García, A; Montero, J; Ceballos, L; Fuentes, M V; Albaladejo, A

    2015-02-01

    The aim of the present study was to evaluate the influence of erbium:yttrium-aluminum-garnet (Er:YAG) and Ti:sapphire laser irradiation on the microtensile bond strength (MTBS) of three different adhesive systems to dentin. Flat dentin surfaces from 27 molars were divided into three groups according to laser irradiation: control, Er:YAG (2,940 nm, 100 μs, 2.7 W, 9 Hz) and Ti:sapphire laser (795 nm, 120 fs, 1 W, 1 kHz). Each group was divided into three subgroups according to the adhesive system used: two-step total-etching adhesive (Adper Scotchbond 1 XT, from now on XT), two-step self-etching adhesive (Clearfil SE Bond, from now on CSE), and all-in-one self-etching adhesive (Optibond All-in-One, from now on OAO). After 24 h of water storage, beams of section at 1 mm(2) were longitudinally cut from the samples. Each beam underwent traction test in an Instron machine. Fifteen polished dentin specimens were used for the surface morphology analysis by scanning electron microscopy (SEM). Failure modes of representative debonded microbars were SEM-assessed. Data were analyzed by ANOVA, chi-square test, and multiple linear regression (p < 0.05). In the control group, XT obtained higher MTBS than that of laser groups that performed equally. CSE showed higher MTBS without laser than that with laser groups, where Er:YAG attained higher MTBS than ultrashort laser. When OAO was used, MTBS values were equal in the three treatments. CSE obtained the highest MTBS regardless of the surface treatment applied. The Er:YAG and ultrashort laser irradiation reduce the bonding effectiveness when a two-step total-etching adhesive or a two-step self-etching adhesive are used and do not affect their effectiveness when an all-in-one self-etching adhesive is applied.

  14. Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.

    PubMed

    Carter, Megan; Voth, Andrea Regier; Scholfield, Matthew R; Rummel, Brittany; Sowers, Lawrence C; Ho, P Shing

    2013-07-23

    Interest in noncovalent interactions involving halogens, particularly halogen bonds (X-bonds), has grown dramatically in the past decade, propelled by the use of X-bonding in molecular engineering and drug design. However, it is clear that a complete analysis of the structure-energy relationship must be established in biological systems to fully exploit X-bonds for biomolecular engineering. We present here the first comprehensive experimental study to correlate geometries with their stabilizing potentials for fluorine (F), chlorine (Cl), bromine (Br), or iodine (I) X-bonds in a biological context. For these studies, we determine the single-crystal structures of DNA Holliday junctions containing halogenated uracil bases that compete X-bonds against classic hydrogen bonds (H-bonds), estimate the enthalpic energies of the competing interactions in the crystal system through crystallographic titrations, and compare the enthalpic and entropic energies of bromine and iodine X-bonds in solution by differential scanning calorimetry. The culmination of these studies demonstrates that enthalpic stabilization of X-bonds increases with increasing polarizability from F to Cl to Br to I, which is consistent with the σ-hole theory of X-bonding. Furthermore, an increase in the X-bonding potential is seen to direct the interaction toward a more ideal geometry. However, the entropic contributions to the total free energies must also be considered to determine how each halogen potentially contributes to the overall stability of the interaction. We find that bromine has the optimal balance between enthalpic and entropic energy components, resulting in the lowest free energy for X-bonding in this DNA system. The X-bond formed by iodine is more enthalpically stable, but this comes with an entropic cost, which we attribute to crowding effects. Thus, the overall free energy of an X-bonding interaction balances the stabilizing electrostatic effects of the σ-hole against the competing

  15. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.

    PubMed

    Zhang, Lixian; Ying, Fuming; Wu, Wei; Hiberty, Philippe C; Shaik, Sason

    2009-01-01

    To characterize the nature of bonding we derive the topological properties of the electron charge density of a variety of bonds based on ab initio valence bond methods. The electron density and its associated Laplacian are partitioned into covalent, ionic, and resonance components in the valence bond spirit. The analysis provides a density-based signature of bonding types and reveals, along with the classical covalent and ionic bonds, the existence of two-electron bonds in which most of the bonding arises from the covalent-ionic resonance energy, so-called charge-shift bonds. As expected, the covalent component of the Laplacian at the bond critical point is found to be largely negative for classical covalent bonds. In contrast, for charge-shift bonds, the covalent part of the Laplacian is small or positive, in agreement with the weakly attractive or repulsive character of the covalent interaction in these bonds. On the other hand, the resonance component of the Laplacian is always negative or nearly zero, and it increases in absolute value with the charge-shift character of the bond, in agreement with the decrease of kinetic energy associated with covalent-ionic mixing. A new interpretation of the topology of the total density at the bond critical point is proposed to characterize covalent, ionic, and charge-shift bonding from the density point of view.

  16. Fast and accurate predictions of covalent bonds in chemical space

    NASA Astrophysics Data System (ADS)

    Chang, K. Y. Samuel; Fias, Stijn; Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole

    2016-05-01

    We assess the predictive accuracy of perturbation theory based estimates of changes in covalent bonding due to linear alchemical interpolations among molecules. We have investigated σ bonding to hydrogen, as well as σ and π bonding between main-group elements, occurring in small sets of iso-valence-electronic molecules with elements drawn from second to fourth rows in the p-block of the periodic table. Numerical evidence suggests that first order Taylor expansions of covalent bonding potentials can achieve high accuracy if (i) the alchemical interpolation is vertical (fixed geometry), (ii) it involves elements from the third and fourth rows of the periodic table, and (iii) an optimal reference geometry is used. This leads to near linear changes in the bonding potential, resulting in analytical predictions with chemical accuracy (˜1 kcal/mol). Second order estimates deteriorate the prediction. If initial and final molecules differ not only in composition but also in geometry, all estimates become substantially worse, with second order being slightly more accurate than first order. The independent particle approximation based second order perturbation theory performs poorly when compared to the coupled perturbed or finite difference approach. Taylor series expansions up to fourth order of the potential energy curve of highly symmetric systems indicate a finite radius of convergence, as illustrated for the alchemical stretching of H 2+ . Results are presented for (i) covalent bonds to hydrogen in 12 molecules with 8 valence electrons (CH4, NH3, H2O, HF, SiH4, PH3, H2S, HCl, GeH4, AsH3, H2Se, HBr); (ii) main-group single bonds in 9 molecules with 14 valence electrons (CH3F, CH3Cl, CH3Br, SiH3F, SiH3Cl, SiH3Br, GeH3F, GeH3Cl, GeH3Br); (iii) main-group double bonds in 9 molecules with 12 valence electrons (CH2O, CH2S, CH2Se, SiH2O, SiH2S, SiH2Se, GeH2O, GeH2S, GeH2Se); (iv) main-group triple bonds in 9 molecules with 10 valence electrons (HCN, HCP, HCAs, HSiN, HSi

  17. Fast and accurate predictions of covalent bonds in chemical space.

    PubMed

    Chang, K Y Samuel; Fias, Stijn; Ramakrishnan, Raghunathan; von Lilienfeld, O Anatole

    2016-05-07

    We assess the predictive accuracy of perturbation theory based estimates of changes in covalent bonding due to linear alchemical interpolations among molecules. We have investigated σ bonding to hydrogen, as well as σ and π bonding between main-group elements, occurring in small sets of iso-valence-electronic molecules with elements drawn from second to fourth rows in the p-block of the periodic table. Numerical evidence suggests that first order Taylor expansions of covalent bonding potentials can achieve high accuracy if (i) the alchemical interpolation is vertical (fixed geometry), (ii) it involves elements from the third and fourth rows of the periodic table, and (iii) an optimal reference geometry is used. This leads to near linear changes in the bonding potential, resulting in analytical predictions with chemical accuracy (∼1 kcal/mol). Second order estimates deteriorate the prediction. If initial and final molecules differ not only in composition but also in geometry, all estimates become substantially worse, with second order being slightly more accurate than first order. The independent particle approximation based second order perturbation theory performs poorly when compared to the coupled perturbed or finite difference approach. Taylor series expansions up to fourth order of the potential energy curve of highly symmetric systems indicate a finite radius of convergence, as illustrated for the alchemical stretching of H2 (+). Results are presented for (i) covalent bonds to hydrogen in 12 molecules with 8 valence electrons (CH4, NH3, H2O, HF, SiH4, PH3, H2S, HCl, GeH4, AsH3, H2Se, HBr); (ii) main-group single bonds in 9 molecules with 14 valence electrons (CH3F, CH3Cl, CH3Br, SiH3F, SiH3Cl, SiH3Br, GeH3F, GeH3Cl, GeH3Br); (iii) main-group double bonds in 9 molecules with 12 valence electrons (CH2O, CH2S, CH2Se, SiH2O, SiH2S, SiH2Se, GeH2O, GeH2S, GeH2Se); (iv) main-group triple bonds in 9 molecules with 10 valence electrons (HCN, HCP, HCAs, HSiN, HSi

  18. Toggling bistable atoms via mechanical switching of bond angle.

    PubMed

    Sweetman, Adam; Jarvis, Sam; Danza, Rosanna; Bamidele, Joseph; Gangopadhyay, Subhashis; Shaw, Gordon A; Kantorovich, Lev; Moriarty, Philip

    2011-04-01

    We reversibly switch the state of a bistable atom by direct mechanical manipulation of bond angle using a dynamic force microscope. Individual buckled dimers at the Si(100) surface are flipped via the formation of a single covalent bond, actuating the smallest conceivable in-plane toggle switch (two atoms) via chemical force alone. The response of a given dimer to a flip event depends critically on both the local and nonlocal environment of the target atom-an important consideration for future atomic scale fabrication strategies.

  19. Halogen bonds in crystal engineering: like hydrogen bonds yet different.

    PubMed

    Mukherjee, Arijit; Tothadi, Srinu; Desiraju, Gautam R

    2014-08-19

    The halogen bond is an attractive interaction in which an electrophilic halogen atom approaches a negatively polarized species. Short halogen atom contacts in crystals have been known for around 50 years. Such contacts are found in two varieties: type I, which is symmetrical, and type II, which is bent. Both are influenced by geometric and chemical considerations. Our research group has been using halogen atom interactions as design elements in crystal engineering, for nearly 30 years. These interactions include halogen···halogen interactions (X···X) and halogen···heteroatom interactions (X···B). Many X···X and almost all X···B contacts can be classified as halogen bonds. In this Account, we illustrate examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond. We also comment on the similarities and differences between halogen bonds and hydrogen bonds. These interactions are similar because the protagonist atoms-halogen and hydrogen-are both electrophilic in nature. The interactions are distinctive because the size of a halogen atom is of consequence when compared with the atomic sizes of, for example, C, N, and O, unlike that of a hydrogen atom. Conclusions may be drawn pertaining to the nature of X···X interactions from the Cambridge Structural Database (CSD). There is a clear geometric and chemical distinction between type I and type II, with only type II being halogen bonds. Cl/Br isostructurality is explained based on a geometric model. In parallel, experimental studies on 3,4-dichlorophenol and its congeners shed light on the nature of halogen···halogen interactions and reveal the chemical difference between Cl and Br. Variable temperature studies also show differences between type I and type II contacts. In terms of crystal design, halogen bonds offer a unique opportunity in the strength, atom size and interaction gradation; this may be

  20. Do matrix metalloproteinase inhibitors improve the bond durability of universal dental adhesives?

    PubMed

    Tekçe, Neslihan; Tuncer, Safa; Demirci, Mustafa; Balci, Sibel

    2016-11-01

    The aim of this study was to evaluate the effects of matrix metalloproteinases (MMPs) inhibitors on the microtensile bond strength (μTBS) and the adhesive-dentin interface of two universal dentin bonding agents, Single Bond Universal and All Bond Universal, after 12 months of water storage. Seventy extracted, caries-free, human third molars were used in this study. Of these, 50 were used for μTBS testing and 20 were used for scanning electron microscopy. The two bonding agents were applied to flat dentin surfaces in five different ways: self-etch mode, etch-and-rinse mode with 37% phosphoric acid, etch-and-rinse mode with phosphoric acid containing 1% benzalkonium chloride, etch-and-rinse mode with phosphoric acid and 2% chlorhexidine, and etch-and-rinse mode with 0.5 M ethylenediaminetetraacetic acid (EDTA) (n = 5 for each bonding agent in each group; N = 50). Half the specimens were subjected to μTBS tests at 24 h, while half were subjected to the tests after 12 months of water storage. For each bonding agent, inhibition, storage, and their interaction effects were tested by two-way analysis of variance and Bonferroni tests. For Single Bond Universal, the benzalkonium chloride (p = 0.024) and chlorhexidine groups (p = 0.033) exhibited significantly higher μTBS values at 24 h compared with the self-etch group. For All Bond Universal, all groups displayed similar bond strengths at 24 h (p > 0.05). After 12 months of water storage, the μTBS values decreased significantly in the benzalkonium chloride group for Single Bond Universal (p = 0.001) and the self-etch (p = 0.029), chlorhexidine (p = 0.046), and EDTA (p = 0.032) groups for All Bond Universal. These results suggest that the immediate dentin bond strength increases when universal bonding systems are applied in the etch-and-rinse mode, although the durability decreases. The use of chlorhexidine and EDTA can increase the bond durability of mild adhesives such as

  1. Direct evaluation of individual hydrogen bond energy in situ in intra- and intermolecular multiple hydrogen bonds system.

    PubMed

    Liu, Cui; Zhao, Dong-Xia; Yang, Zhong-Zhi

    2012-02-05

    The results of evaluating the individual hydrogen bond (H-bond) strength are expected to be helpful for the rational design of new strategies for molecular recognition or supramolecular assemblies. Unfortunately, there is few obvious and unambiguous means of evaluating the energy of a single H-bond within a multiple H-bonds system. We present a local analytic model, ABEEMσπ H-bond energy (HBE) model based on ab initio calculations (MP2) as benchmark, to directly and rapidly evaluate the individual HBE in situ in inter- and intramolecular multiple H-bonds system. This model describes the HBE as the sum of electrostatic and van der Waals (vdW) interactions which all depend upon the geometry and environment, and the ambient environment of H-bond in the model is accounted fairly. Thus, it can fairly consider the cooperative effect and secondary effect. The application range of ABEEMσπ HBE model is rather wide. This work has discussed the individual H-bond in DNA base pair and protein peptide dimers. The results indicate that the interactions among donor H atom, acceptor atom as well as those atoms connected to them with 1,2 or 1,3 relationships are all important for evaluating the HBE, although the interaction between the donor H atom and the acceptor atom is large. Furthermore, our model quantitatively indicates the polarization ability of N, O, and S in a new style, and gives the percentage of the polarization effect in HBE, which can not be given by fixed partial charge force field.

  2. Welding, Bonding and Fastening, 1984

    NASA Technical Reports Server (NTRS)

    Buckley, J. D. (Editor); Stein, B. A. (Editor)

    1985-01-01

    A compilation of papers presented in a joint NASA, American Society for Metals, The George Washington University, American Welding Soceity, and Society of Manufacturing Engineers conference on Welding, Bonding, and Fastening at Langley Research Center, Hampton, VA, on October 23 to 25, 1984 is given. Papers were presented on technology developed in current research programs relevant to welding, bonding, and fastening of structural materials required in fabricating structures and mechanical systems used in the aerospace, hydrospace, and automotive industries. Topics covered in the conference included equipment, hardware and materials used when welding, brazing, and soldering, mechanical fastening, explosive welding, use of unique selected joining techniques, adhesives bonding, and nondestructive evaluation. A concept of the factory of the future was presented, followed by advanced welding techniques, automated equipment for welding, welding in a cryogenic atmosphere, blind fastening, stress corrosion resistant fasteners, fastening equipment, explosive welding of different configurations and materials, solid-state bonding, electron beam welding, new adhesives, effects of cryogenics on adhesives, and new techniques and equipment for adhesive bonding.

  3. 46 CFR Sec. 4 - Posting of bond.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 8 2011-10-01 2011-10-01 false Posting of bond. Sec. 4 Section 4 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 4 Posting of bond. The General Agent shall retain an executed copy of each such bond in its principal...

  4. 46 CFR Sec. 2 - Amount of bond.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 8 2011-10-01 2011-10-01 false Amount of bond. Sec. 2 Section 2 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 2 Amount of bond. The amount of the bond must be governed by the amount of monies advanced or value of...

  5. 46 CFR Sec. 2 - Amount of bond.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Amount of bond. Sec. 2 Section 2 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 2 Amount of bond. The amount of the bond must be governed by the amount of monies advanced or value of...

  6. 46 CFR Sec. 4 - Posting of bond.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Posting of bond. Sec. 4 Section 4 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION A-NATIONAL SHIPPING AUTHORITY BONDING OF SHIP'S PERSONNEL Sec. 4 Posting of bond. The General Agent shall retain an executed copy of each such bond in its principal...

  7. 43 CFR 3474.1 - Bonding requirements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Bonding requirements. 3474.1 Section 3474....1 Bonding requirements. (a) Before a lease may be issued, one of the following forms of lease bond... a form approved by the Director. (c) The bonding obligation for a new lease may be met by...

  8. 7 CFR 1726.27 - Contractor's bonds.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 11 2010-01-01 2010-01-01 false Contractor's bonds. 1726.27 Section 1726.27... AGRICULTURE ELECTRIC SYSTEM CONSTRUCTION POLICIES AND PROCEDURES General § 1726.27 Contractor's bonds. (a) RUS Form 168b, Contractor's Bond, shall be used when a contractor's bond is required by RUS Forms 200,...

  9. 27 CFR 25.96 - Superseding bond.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Superseding bond. 25.96 Section 25.96 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT... principal submits a new bond to supersede a bond or bonds in effect, the appropriate TTB officer,...

  10. 27 CFR 25.96 - Superseding bond.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Superseding bond. 25.96 Section 25.96 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT... principal submits a new bond to supersede a bond or bonds in effect, the appropriate TTB officer,...

  11. 27 CFR 26.69 - Strengthening bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Liquors and Articles in Puerto Rico Bonds § 26.69 Strengthening bonds. In all cases where the penal sum of... surety to attain a sufficient penal sum, or give a new bond to cover the entire liability. Strengthening... penal sum. Strengthening bonds shall show the current date of execution and the effective date....

  12. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  13. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  14. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  15. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  16. 27 CFR 24.146 - Bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    .... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded wine premises without payment of tax for use in the manufacture of vinegar shall file a bond on TTB F 5510.2, Bond Covering Removal to and Use of Wine at Vinegar Plant, to ensure the payment of the tax...

  17. Three methods to measure RH bond energies

    NASA Astrophysics Data System (ADS)

    Berkowitz, Joseph; Ellison, G. Barney; Gutman, David

    1993-03-01

    In this paper, the authors compare and contrast three powerful methods for experimentally measuring bond energies in polyatomic molecules. The methods are: radical kinetics; gas phase acidity cycles; and photoionization mass spectroscopy. The knowledge of the values of bond energies are a basic piece of information to a chemist. Chemical reactions involve the making and breaking of chemical bonds. It has been shown that comparable bonds in polyatomic molecules, compared to the same bonds in radicals, can be significantly different. These bond energies can be measured in terms of bond dissociation energies.

  18. Three methods to measure RH bond energies

    SciTech Connect

    Berkowitz, J.; Ellison, G.B.; Gutman, D.

    1993-03-21

    In this paper the authors compare and contrast three powerful methods for experimentally measuring bond energies in polyatomic molecules. The methods are: radical kinetics; gas phase acidity cycles; and photoionization mass spectroscopy. The knowledge of the values of bond energies are a basic piece of information to a chemist. Chemical reactions involve the making and breaking of chemical bonds. It has been shown that comparable bonds in polyatomic molecules, compared to the same bonds in radicals, can be significantly different. These bond energies can be measured in terms of bond dissociation energies.

  19. Halogen Bonding in Organic Synthesis and Organocatalysis.

    PubMed

    Bulfield, David; Huber, Stefan M

    2016-10-04

    Halogen bonding is a noncovalent interaction similar to hydrogen bonding, which is based on electrophilic halogen substituents. Hydrogen-bonding-based organocatalysis is a well-established strategy which has found numerous applications in recent years. In light of this, halogen bonding has recently been introduced as a key interaction for the design of activators or organocatalysts that is complementary to hydrogen bonding. This Concept features a discussion on the history and electronic origin of halogen bonding, summarizes all relevant examples of its application in organocatalysis, and provides an overview on the use of cationic or polyfluorinated halogen-bond donors in halide abstraction reactions or in the activation of neutral organic substrates.

  20. Medieval orality, mothers, and bonding.

    PubMed

    Schwartz, Scott C

    2004-01-01

    The role of women in the Middle Ages was vilification, veneration, and exclusion. Due to the high rates of maternal and infant mortality bonding shifted from the mother-child dyad to one in which the Church, Holy Family, and king acted as pseudo-parents. In art this is suggested by the virtual absence of eye contact between the Virgin and Christ-child. Frustration of early oral needs consequent to lack of adequate mother-child bonding prompted a reactive emphasis on orality in art and legend. A decrease in infant mortality and a reciprocal improvement in mother child bonding contributed to cultural shifts in how self-realization would be accomplished during the Renaissance and in the later emergence of secular humanism.

  1. Ultrasonic Bonding of Solar-Cell Leads

    NASA Technical Reports Server (NTRS)

    Frasch, W.

    1984-01-01

    Rolling ultrasonic spot-bonding method successfully joins aluminum interconnect fingers to silicon solar cells with copper metalization. Technique combines best features of ultrasonic rotary seam welding and ultrasonic spot bonding: allows fast bond cycles and high indexing speeds without use of solder or flux. Achieves reliable bonds at production rates without damage to solar cells. Bonding system of interest for all solar-cell assemblies and other assemblies using flat leads (rather than round wires).

  2. Effect of fluoride in phosphate buffer solution on bonding to artificially carious enamel.

    PubMed

    Wang, Hao; Shimada, Yasushi; Tagami, Junji

    2007-09-01

    The purpose of the present study was to evaluate the effect of fluoride on resin bonding to artificially carious enamel. Specimens from demineralized human enamel sections were prepared using two commercially available adhesives (Clearfil SE Bond, Kuraray; Single Bond, 3M) and a composite resin (Clearfil AP-X, Kuraray) according to manufacturers' instructions. They were then immersed in phosphate buffered saline solution with varied fluoride concentrations at 0, 0.1, 0.5, 1, and 10 ppm. After immersion in each solution for one, three, or seven days, microshear bond strength was measured. The bond strengths of both adhesive systems to artificially carious enamel significantly increased after immersion in fluoride-phosphate buffer solution. Based on the findings obtained, we thus proposed not to remove the white enamel lesions for bonding in the clinic. They might be preserved and treated using fluoride applications.

  3. What holds paper together: Nanometre scale exploration of bonding between paper fibres

    PubMed Central

    Schmied, Franz J.; Teichert, Christian; Kappel, Lisbeth; Hirn, Ulrich; Bauer, Wolfgang; Schennach, Robert

    2013-01-01

    Paper, a man-made material that has been used for hundreds of years, is a network of natural cellulosic fibres. To a large extent, it is the strength of bonding between these individual fibres that controls the strength of paper. Using atomic force microscopy, we explore here the mechanical properties of individual fibre-fibre bonds on the nanometre scale. A single fibre-fibre bond is loaded with a calibrated cantilever statically and dynamically until the bond breaks. Besides the calculation of the total energy input, time dependent processes such as creep and relaxation are studied. Through the nanometre scale investigation of the formerly bonded area, we show that fibrils or fibril bundles play a crucial role in fibre-fibre bonding because they act as bridging elements. With this knowledge, new fabrication routes can be deduced to increase the strength of an ancient product that is in fact an overlooked high-tech material. PMID:23969946

  4. Carbon–carbon bond activation of cyclobutenones enabled by the addition of chiral organocatalyst to ketone

    PubMed Central

    Li, Bao-Sheng; Wang, Yuhuang; Jin, Zhichao; Zheng, Pengcheng; Ganguly, Rakesh; Chi, Yonggui Robin

    2015-01-01

    The activation of carbon–carbon (C–C) bonds is an effective strategy in building functional molecules. The C–C bond activation is typically accomplished via metal catalysis, with which high levels of enantioselectivity are difficult to achieve due to high reactivity of metal catalysts and the metal-bound intermediates. It remains largely unexplored to use organocatalysis for C–C bond activation. Here we describe an organocatalytic activation of C–C bonds through the addition of an NHC to a ketone moiety that initiates a C–C single bond cleavage as a key step to generate an NHC-bound intermediate for chemo- and stereo-selective reactions. This reaction constitutes an asymmetric functionalization of cyclobutenones using organocatalysts via a C–C bond activation process. Structurally diverse and multicyclic compounds could be obtained with high optical purities via an atom and redox economic process. PMID:25652912

  5. To Bond or Not to Bond? That Is the Question

    ERIC Educational Resources Information Center

    Balzer, Wayne E.

    2015-01-01

    This case, inspired by a real school district scenario, was developed for use in a graduate-level course in school finance. James Spencer had just been selected as the new superintendent of a low-income, 400-student, rural school district in need of many capital improvements. The previous superintendent had refused to hold a bond election because…

  6. Phosphate-Bonded Fly Ash.

    DTIC Science & Technology

    1994-12-09

    FCODE OC ______________ ARLINGTON VA 22217-5660 - dis~bu~i.19~ 3 B Navy Case No. 75,787 PATENTS PHOSPHATE -BONDED FLY ASH IN’NA G. TALMY DEBORAH A. HAUGHT...2 3 , CaO. MgO, etc. with which the H.PO4 reacts to form the polymer-like phosphate bonds which hold the fly ash particles together. In the second...conventional means. The moisture (water) content of the aqueous HP0 4 /fly ash mixture is preferably from about 3 to about 5 weight percent for semidry

  7. EFFECT OF AN ADDITIONAL HYDROPHILIC VERSUS HYDROPHOBIC COAT ON THE QUALITY OF DENTINAL SEALING PROVIDED BY TWO-STEP ETCH-AND-RINSE ADHESIVES

    PubMed Central

    Silva, Safira Marques de Andrade; Carrilho, Marcela Rocha de Oliveira; Marquezini, Luiz; Garcia, Fernanda Cristina Pimentel; Manso, Adriana Pigozzo; Alves, Marcelo Corrêa; de Carvalho, Ricardo Marins

    2009-01-01

    Objective: To test the hypothesis that the quality of the dentinal sealing provided by two-step etch-and-rinse adhesives cannot be altered by the addition of an extra layer of the respective adhesive or the application of a more hydrophobic, non-solvated resin. Material and Methods: full-crown preparations were acid-etched with phosphoric acid for 15 s and bonded with Adper Single Bond (3M ESPE), Excite DSC (Ivoclar/Vivadent) or Prime & Bond NT (Dentsply). The adhesives were used according to the manufacturers' instructions (control groups) or after application to dentin they were a) covered with an extra coat of each respective system or b) coated with a non-solvated bonding agent (Adper Scotchbond Multi-Purpose Adhesive, 3M ESPE). Fluid flow rate was measured before and after dentin surfaces were acid-etched and bonded with adhesives. Results: None of the adhesives or experimental treatments was capable to block completely the fluid transudation across the treated dentin. Application of an extra coat of the adhesive did not reduce the fluid flow rate of adhesive-bonded dentin (p>0.05). Conversely, the application of a more hydrophobic non-solvated resin resulted in significant reductions in the fluid flow rate (p<0.05) for all tested adhesives. Conclusions: The quality of the dentinal sealing provided by etch-and-rinse adhesives can be significantly improved by the application of a more hydrophobic, non-solvated bonding agent. PMID:19466248

  8. Alkali metal mediated C-C bond coupling reaction

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto

    2015-02-01

    Metal catalyzed carbon-carbon (C-C) bond formation is one of the important reactions in pharmacy and in organic chemistry. In the present study, the electron and hole capture dynamics of a lithium-benzene sandwich complex, expressed by Li(Bz)2, have been investigated by means of direct ab-initio molecular dynamics method. Following the electron capture of Li(Bz)2, the structure of [Li(Bz)2]- was drastically changed: Bz-Bz parallel form was rapidly fluctuated as a function of time, and a new C-C single bond was formed in the C1-C1' position of Bz-Bz interaction system. In the hole capture, the intermolecular vibration between Bz-Bz rings was only enhanced. The mechanism of C-C bond formation in the electron capture was discussed on the basis of theoretical results.

  9. Alkali metal mediated C–C bond coupling reaction

    SciTech Connect

    Tachikawa, Hiroto

    2015-02-14

    Metal catalyzed carbon-carbon (C–C) bond formation is one of the important reactions in pharmacy and in organic chemistry. In the present study, the electron and hole capture dynamics of a lithium-benzene sandwich complex, expressed by Li(Bz){sub 2}, have been investigated by means of direct ab-initio molecular dynamics method. Following the electron capture of Li(Bz){sub 2}, the structure of [Li(Bz){sub 2}]{sup −} was drastically changed: Bz–Bz parallel form was rapidly fluctuated as a function of time, and a new C–C single bond was formed in the C{sub 1}–C{sub 1}′ position of Bz–Bz interaction system. In the hole capture, the intermolecular vibration between Bz–Bz rings was only enhanced. The mechanism of C–C bond formation in the electron capture was discussed on the basis of theoretical results.

  10. Mechanically resolving noncovalent bonds using acoustic radiation force.

    PubMed

    De Silva, Lashan; Yao, Li; Xu, Shoujun

    2014-09-25

    The resolution of molecular bonds and subsequent selective control of their binding are of great significance in chemistry and biology. We have developed a method based on the use of acoustic radiation force to precisely dissociate noncovalent molecular bonds. The acoustic radiation force is produced by extremely low-power ultrasound waves and is mediated by magnetic particles. We successfully distinguished the binding of antibodies of different subclasses and the binding of DNA duplexes with a single-base-pair difference. In contrast to most ultrasound applications in chemistry, the sonication probe is noninvasive and requires a sample volume of only a few microliters. Our method is thus viable for noninvasive and accurate control of molecular bonds that are widely encountered in biochemistry.

  11. Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role.

    PubMed

    Ranieri, Umbertoluca; Giura, Paola; Gorelli, Federico A; Santoro, Mario; Klotz, Stefan; Gillet, Philippe; Paolasini, Luigi; Koza, Michael Marek; Bove, Livia E

    2016-09-01

    We investigate the terahertz dynamics of liquid H2O as a function of pressure along the 450 K isotherm, by coupled quasielastic neutron scattering and inelastic X-ray scattering experiments. The pressure dependence of the single-molecule dynamics is anomalous in terms of both microscopic translation and rotation. In particular, the Stokes-Einstein-Debye equations are shown to be violated in hot water compressed to the GPa regime. The dynamics of the hydrogen bond network is only weakly affected by the pressure variation. The time scale of the structural relaxation driving the collective dynamics increases by a mere factor of 2 along the investigated isotherm, and the structural relaxation strength turns out to be almost pressure independent. Our results point at the persistence of the hydrogen bond network in hot dense water up to ice VII crystallization, thus questioning the long-standing perception that hydrogen bonds are broken in liquid water under the effect of compression.

  12. Interface Phenomena and Bonding Mechanism in Magnetic Pulse Welding

    NASA Astrophysics Data System (ADS)

    Stern, A.; Shribman, V.; Ben-Artzy, A.; Aizenshtein, M.

    2014-10-01

    Magnetic pulse welding (MPW) is a solid-state impact welding technology that provides metallurgical joints while exhibiting a negligible heat-affected zone. The MPW process is a high speed single shot welding technique used mainly for joining tubular components in a lap configuration and characteristic length scales of few millimeters to centimeters. It is similar in operation to explosive welding and shares the same physical principles. The nature of bonding in MPW is not sufficiently understood yet and some controversial explanations are reported in the literature. The two major ideas are based on either solid state bonding or local melting and solidification. The present work summarizes our current understanding of the bonding mechanism and the structure in various similar and dissimilar metal pairs joined by MPW.

  13. Alkali metal mediated C-C bond coupling reaction.

    PubMed

    Tachikawa, Hiroto

    2015-02-14

    Metal catalyzed carbon-carbon (C-C) bond formation is one of the important reactions in pharmacy and in organic chemistry. In the present study, the electron and hole capture dynamics of a lithium-benzene sandwich complex, expressed by Li(Bz)2, have been investigated by means of direct ab-initio molecular dynamics method. Following the electron capture of Li(Bz)2, the structure of [Li(Bz)2](-) was drastically changed: Bz-Bz parallel form was rapidly fluctuated as a function of time, and a new C-C single bond was formed in the C1-C1' position of Bz-Bz interaction system. In the hole capture, the intermolecular vibration between Bz-Bz rings was only enhanced. The mechanism of C-C bond formation in the electron capture was discussed on the basis of theoretical results.

  14. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  15. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  16. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  17. 27 CFR 19.162 - Operations bond for distilled spirits plant and adjacent bonded wine cellar.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... distilled spirits plant and adjacent bonded wine cellar. 19.162 Section 19.162 Alcohol, Tobacco Products and... bond for distilled spirits plant and adjacent bonded wine cellar. (a) One bond satisfying two requirements. A proprietor who operates a bonded wine cellar that is adjacent to the proprietor's...

  18. Effect of noble metal adhesive systems on bonding between an indirect composite material and a gold alloy.

    PubMed

    Nagano, Kiyoshi; Tanoue, Naomi; Atsuta, Mitsuru; Koizumi, Hiroyasu; Matsumura, Hideo

    2004-12-01

    In this study, the bond strength between an indirect composite and a gold alloy was determined for the purpose of evaluating noble metal bonding systems. A single liquid primer designed for conditioning noble metal alloys (Infis Opaque Primer) and tri-n-butylborane-initiated adhesive resins (Super-Bond C & B), with or without the powder component, were assessed. Cast gold alloy disks (Casting Gold type IV) were air-abraded with alumina, followed by six surface preparations, and were then bonded with a light-activated composite material (New Metacolor Infis). Shear testing was performed both before and after thermocycling for evaluation of bond durability. The results showed that three primed groups improved post-thermocycling bond strengths compared to each of the corresponding unprimed groups (P < 0.01). The bond strength was reduced for all six groups by the application of thermocycling (P < 0.01). After thermocycling, the group primed with the Infis Opaque Primer material and bonded with the Super-Bond C & B resin exhibited the greatest bond strength (23.4 MPa). The Infis Opaque Primer and Super-Bond bonding system increased the post-thermocycling bond strength of the control group by a factor of approximately ten. This simple technique is applicable in the fabrication of composite veneered restorations and cone-telescope dentures.

  19. Metal-Metal Quintuple and Sextuple Bonding in Bent Dimetallocenes of the Third Row Transition Metals.

    PubMed

    Xu, Bing; Li, Qian-Shu; Xie, Yaoming; King, R Bruce; Schaefer, Henry F

    2010-03-09

    Theoretical studies on the dimetallocenes Cp2M2 (M = Os, Re, W, Ta) predict bent structures with short metal-metal distances suggesting high-order metal-metal multiple bonds. Analysis of the frontier bonding molecular orbitals indicates a formal Os-Os quintuple bond (σ + 2π + 2δ) in singlet Cp2Os2 and a formal Re-Re sextuple bond (2σ + 2π + 2δ) in singlet Cp2Re2, thereby giving the metals in both molecules the favored 18-electron metal configurations. Predicted low-energy triplet structures for Cp2M2 (M = Os, Re) have formal quintuple bonds but with only two δ one-electron "half" bonds (M = Os) or a single δ two-electron bond (M = Re) and a second σ component derived from overlap of the d(z(2)) orbitals. A quintuple bond similar to that found in triplet Cp2Re2 is found in singlet Cp2W2, giving both tungsten atoms a 16-electron configuration. The formal Ta-Ta quadruple bond in the lowest energy singlet Cp2Ta2 structure is different from that in the original Re2Cl8(2-) in that it is a 2σ + 2π bond with no δ components but only σ and π components.

  20. Hydrogen bonding in a mixture of protic ionic liquids: a molecular dynamics simulation study.

    PubMed

    Paschek, Dietmar; Golub, Benjamin; Ludwig, Ralf

    2015-04-07

    We report results of molecular dynamics (MD) simulations characterising the hydrogen bonding in mixtures of two different protic ionic liquids sharing the same cation: triethylammonium-methylsulfonate (TEAMS) and triethylammonium-triflate (TEATF). The triethylammonium-cation acts as a hydrogen-bond donor, being able to donate a single hydrogen-bond. Both, the methylsulfonate- and the triflate-anions can act as hydrogen-bond acceptors, which can accept multiple hydrogen bonds via their respective SO3-groups. In addition, replacing a methyl-group in the methylsulfonate by a trifluoromethyl-group in the triflate significantly weakens the strength of a hydrogen bond from an adjacent triethylammonium cation to the oxygen-site in the SO3-group of the anion. Our MD simulations show that these subtle differences in hydrogen bond strength significantly affect the formation of differently-sized hydrogen-bonded aggregates in these mixtures as a function of the mixture-composition. Moreover, the reported hydrogen-bonded cluster sizes can be predicted and explained by a simple combinatorial lattice model, based on the approximate coordination number of the ions, and using statistical weights that mostly account for the fact that each anion can only accept three hydrogen bonds.

  1. Reliability study of wafer bonding for micro-electro-mechanical systems

    NASA Astrophysics Data System (ADS)

    Almasri, Mahmoud; Altemus, Bruce; Gracias, Alison; Clow, Larry; Tokranova, Natalya; Castracane, James; Xu, Bai

    2003-12-01

    Wafer bonding has attracted significant attention in applications that require integration of Micro-Electro-Mechanical Systems (MEMS) with Integrated Circuits (IC). The integration of monolithic MEMS and electronic devices is difficult because of issues such as material compatibility, process compliance and thermal budget. It is important to establish a wafer bonding process which provides long-term protection for the MEMS devices yet does not affect their performance. The attentions for such integration are at the die level and wafer level. Recently, the trend is toward wafer-level integration as a cost effective solution to combine sensing, logic, actuation and communications on a single platform. This paper describes the development of low temperature bonding techniques for post-CMOS MEMS integration in system-on-chip (SOC) applications. The bonding methods discussed in this paper involve Benzocyclobutene polymer (BCB) as glue layer to joint two 200 mm wafers together. The bonding temperature is lower than 400°C. Four-point bending and stud-pull methods were used to investigate the mechanical properties of the bonding interfaces. These methods can provide critical information such as adhesion energy and bonding strength of the bonded interfaces. Initial test results at room temperature showed that the BCB bond stayed intact up to an average stress of 50 MPa. It was observed that the BCB bond strength decreased with increasing temperatures and the energy release rate decreased with decreasing BCB thickness.

  2. Reliability study of wafer bonding for micro-electro-mechanical systems

    NASA Astrophysics Data System (ADS)

    Almasri, Mahmoud; Altemus, Bruce; Gracias, Alison; Clow, Larry; Tokranova, Natalya; Castracane, James; Xu, Bai

    2004-01-01

    Wafer bonding has attracted significant attention in applications that require integration of Micro-Electro-Mechanical Systems (MEMS) with Integrated Circuits (IC). The integration of monolithic MEMS and electronic devices is difficult because of issues such as material compatibility, process compliance and thermal budget. It is important to establish a wafer bonding process which provides long-term protection for the MEMS devices yet does not affect their performance. The attentions for such integration are at the die level and wafer level. Recently, the trend is toward wafer-level integration as a cost effective solution to combine sensing, logic, actuation and communications on a single platform. This paper describes the development of low temperature bonding techniques for post-CMOS MEMS integration in system-on-chip (SOC) applications. The bonding methods discussed in this paper involve Benzocyclobutene polymer (BCB) as glue layer to joint two 200 mm wafers together. The bonding temperature is lower than 400°C. Four-point bending and stud-pull methods were used to investigate the mechanical properties of the bonding interfaces. These methods can provide critical information such as adhesion energy and bonding strength of the bonded interfaces. Initial test results at room temperature showed that the BCB bond stayed intact up to an average stress of 50 MPa. It was observed that the BCB bond strength decreased with increasing temperatures and the energy release rate decreased with decreasing BCB thickness.

  3. Wafer bonded epitaxial templates for silicon heterostructures

    NASA Technical Reports Server (NTRS)

    Atwater, Harry A., Jr. (Inventor); Zahler, James M. (Inventor); Morral, Anna Fontcubera I (Inventor)

    2008-01-01

    A heterostructure device layer is epitaxially grown on a virtual substrate, such as an InP/InGaAs/InP double heterostructure. A device substrate and a handle substrate form the virtual substrate. The device substrate is bonded to the handle substrate and is composed of a material suitable for fabrication of optoelectronic devices. The handle substrate is composed of a material suitable for providing mechanical support. The mechanical strength of the device and handle substrates is improved and the device substrate is thinned to leave a single-crystal film on the virtual substrate such as by exfoliation of a device film from the device substrate. An upper portion of the device film exfoliated from the device substrate is removed to provide a smoother and less defect prone surface for an optoelectronic device. A heterostructure is epitaxially grown on the smoothed surface in which an optoelectronic device may be fabricated.

  4. Wafer bonded epitaxial templates for silicon heterostructures

    DOEpatents

    Atwater, Jr., Harry A.; Zahler, James M.; Morral, Anna Fontcubera I

    2008-03-11

    A heterostructure device layer is epitaxially grown on a virtual substrate, such as an InP/InGaAs/InP double heterostructure. A device substrate and a handle substrate form the virtual substrate. The device substrate is bonded to the handle substrate and is composed of a material suitable for fabrication of optoelectronic devices. The handle substrate is composed of a material suitable for providing mechanical support. The mechanical strength of the device and handle substrates is improved and the device substrate is thinned to leave a single-crystal film on the virtual substrate such as by exfoliation of a device film from the device substrate. An upper portion of the device film exfoliated from the device substrate is removed to provide a smoother and less defect prone surface for an optoelectronic device. A heterostructure is epitaxially grown on the smoothed surface in which an optoelectronic device may be fabricated.

  5. Seniority Number in Valence Bond Theory.

    PubMed

    Chen, Zhenhua; Zhou, Chen; Wu, Wei

    2015-09-08

    In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H8, N2, and C2 molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers.

  6. Transient liquid phase bonding of titanium-aluminum-niobium-chromium alloys

    NASA Astrophysics Data System (ADS)

    Zhou, Tao

    heat treatment is necessary to obtain an ideal strength. Some other joints with some different bonding parameters (compared to the regular conditions) are also conducted with some consideration for industrial application. Some other materials (single crystal NiAl-7Ti and poly-crystal Mo) have also been joined with TLP bonding technologies.

  7. Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding

    NASA Astrophysics Data System (ADS)

    Penotti, Fabio E.; Cooper, David L.

    2015-07-01

    We examine the symmetry properties of spin-coupled (or full generalised valence bond) wavefunctions for C2H2 and N2. The symmetry-separated (σ,π) and bent-bond (ω) solutions are totally symmetric only in the D4h and D3h subgroups of D∞h, respectively. Two fairly different strategies are explored for imposing full cylindrical symmetry, with one of them (small nonorthogonal configuration interaction calculations involving rotated versions of the wavefunction) turning out to be somewhat preferable on energetic grounds to the other one (application of additional spin constraints to a single spatial configuration). It is also shown that mixing together the cylindrically symmetric symmetry-separated and bent-bond spin-coupled models leads to relatively small energy improvements unless the valence orbitals in each type of configuration are reoptimised.

  8. Ligand "Brackets" for Ga-Ga Bond.

    PubMed

    Fedushkin, Igor L; Skatova, Alexandra A; Dodonov, Vladimir A; Yang, Xiao-Juan; Chudakova, Valentina A; Piskunov, Alexander V; Demeshko, Serhiy; Baranov, Evgeny V

    2016-09-06

    The reactivity of digallane (dpp-Bian)Ga-Ga(dpp-Bian) (1) (dpp-Bian = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene) toward acenaphthenequinone (AcQ), sulfur dioxide, and azobenzene was investigated. The reaction of 1 with AcQ in 1:1 molar ratio proceeds via two-electron reduction of AcQ to give (dpp-Bian)Ga(μ2-AcQ)Ga(dpp-Bian) (2), in which diolate [AcQ](2-) acts as "bracket" for the Ga-Ga bond. The interaction of 1 with AcQ in 1:2 molar ratio proceeds with an oxidation of the both dpp-Bian ligands as well as of the Ga-Ga bond to give (dpp-Bian)Ga(μ2-AcQ)2Ga(dpp-Bian) (3). At 330 K in toluene complex 2 decomposes to give compounds 3 and 1. The reaction of complex 2 with atmospheric oxygen results in oxidation of a Ga-Ga bond and affords (dpp-Bian)Ga(μ2-AcQ)(μ2-O)Ga(dpp-Bian) (4). The reaction of digallane 1 with SO2 produces, depending on the ratio (1:2 or 1:4), dithionites (dpp-Bian)Ga(μ2-O2S-SO2)Ga(dpp-Bian) (5) and (dpp-Bian)Ga(μ2-O2S-SO2)2Ga(dpp-Bian) (6). In compound 5 the Ga-Ga bond is preserved and supported by dithionite dianionic bracket. In compound 6 the gallium centers are bridged by two dithionite ligands. Both 5 and 6 consist of dpp-Bian radical anionic ligands. Four-electron reduction of azobenzene with 1 mol equiv of digallane 1 leads to complex (dpp-Bian)Ga(μ2-NPh)2Ga(dpp-Bian) (7). Paramagnetic compounds 2-7 were characterized by electron spin resonance spectroscopy, and their molecular structures were established by single-crystal X-ray analysis. Magnetic behavior of compounds 2, 5, and 6 was investigated by superconducting quantum interference device technique in the range of 2-295 K.

  9. Substituent Effects on the [N–I–N]+ Halogen Bond

    PubMed Central

    2016-01-01

    We have investigated the influence of electron density on the three-center [N–I–N]+ halogen bond. A series of [bis(pyridine)iodine]+ and [1,2-bis((pyridine-2-ylethynyl)benzene)iodine]+ BF4– complexes substituted with electron withdrawing and donating functionalities in the para-position of their pyridine nitrogen were synthesized and studied by spectroscopic and computational methods. The systematic change of electron density of the pyridine nitrogens upon alteration of the para-substituent (NO2, CF3, H, F, Me, OMe, NMe2) was confirmed by 15N NMR and by computation of the natural atomic population and the π electron population of the nitrogen atoms. Formation of the [N–I–N]+ halogen bond resulted in >100 ppm 15N NMR coordination shifts. Substituent effects on the 15N NMR chemical shift are governed by the π population rather than the total electron population at the nitrogens. Isotopic perturbation of equilibrium NMR studies along with computation on the DFT level indicate that all studied systems possess static, symmetric [N–I–N]+ halogen bonds, independent of their electron density. This was further confirmed by single crystal X-ray diffraction data of 4-substituted [bis(pyridine)iodine]+ complexes. An increased electron density of the halogen bond acceptor stabilizes the [N···I···N]+ bond, whereas electron deficiency reduces the stability of the complexes, as demonstrated by UV-kinetics and computation. In contrast, the N–I bond length is virtually unaffected by changes of the electron density. The understanding of electronic effects on the [N–X–N]+ halogen bond is expected to provide a useful handle for the modulation of the reactivity of [bis(pyridine)halogen]+-type synthetic reagents. PMID:27265247

  10. Capillary flow weld-bonding

    NASA Technical Reports Server (NTRS)

    Vaughan, R. W.; Jones, R. J. (Inventor)

    1976-01-01

    The invention of a weld-bonding technique for titanium plates was described. This involves fastening at least two plates of titanium together using spot-welding and applying a bead of adhesive along the edge of the resistance spot-welded joint which upon heating, flows and fills the separation between the joint components.

  11. Bonding Elastomers To Metal Substrates

    NASA Technical Reports Server (NTRS)

    Dickerson, George E.; Kelley, Henry L.

    1990-01-01

    Improved, economical method for bonding elastomers to metals prevents failures caused by debonding. In new technique, vulcanization and curing occur simultaneously in specially designed mold that acts as form for desired shape of elastomer and as container that positions and supports metal parts. Increases interface adhesion between metal, adhesive, and elastomer.

  12. Bonded polyimide fuel cell package

    DOEpatents

    Morse, Jeffrey D.; Jankowski, Alan; Graff, Robert T.; Bettencourt, Kerry

    2010-06-08

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  13. Non-bonded ultrasonic transducer

    DOEpatents

    Eoff, J.M.

    1984-07-06

    A mechanically assembled non-bonded ultrasonic transducer includes a substrate, a piezoelectric film, a wetting agent, a thin metal electrode, and a lens held in intimate contact by a mechanical clamp. No epoxy or glue is used in the assembly of this device.

  14. Visualizing Bent Bonds in Cyclopropane

    ERIC Educational Resources Information Center

    Bertolini, Thomas M.

    2004-01-01

    A two-minute overhead demonstration using a molecular model kit is employed for illustrating the unique binding of cyclopropane. It is reported that most model kits, much like an sp (super 3) hybridized carbon atom, resist forming 60-degree bond angles.

  15. Electronegativity and the Bond Triangle

    ERIC Educational Resources Information Center

    Meek, Terry L.; Garner, Leah D.

    2005-01-01

    The usefulness of the bond triangle for categorizing compounds of the main-group elements may be extended by the use of weighted average electronegativities to allow distinction between compounds of the same elements with different stoichiometries. In such cases a higher valency for the central atom leads to greater covalent character and the…

  16. A Unique Bonding Technique for Immediate Orthognathic Surgery

    PubMed Central

    Ayinipully, Hariprasad; Paul, Rosaline Tina; Ponnambathayil, Shaji Aboobacker; Rasheed, Althaf Thanimoottil

    2015-01-01

    Introduction A challenge in orthodontics is achieving ideal bracket position which determines treatment results and finishing. A new bonding method is done indirectly on the cast and bonded directly on the teeth, but it does not require conventional trays to carry the brackets to the teeth. Materials and Methods Heavy sized archwires like 0.019″x0.025″ or 0.018″ SS are bent to the malocclusion to generate a template which comprises of an Bracket -Archwire Assembly (BAA). This assembly is transferred onto the teeth using the molar bands with tubes which serves as a jig for proper orientation of the BAA, then the adhesive is cured at one shot to complete the bonding procedure. Results Two surgical cases successfully bonded with this technique is presented in this article. Conclusion This bonding method finds specific advantages in surgical orthodontics – when the surgeon decides on a surgery-first treatment objective, management of single or a couple of periodontally extruded teeth, management of impacted teeth and in patients needing fixed functional appliance immediately before the completion of growth spurt. PMID:26266212

  17. Bonded molar tubes: a retrospective evaluation of clinical performance.

    PubMed

    Millett, D T; Hallgren, A; Fornell, A C; Robertson, M

    1999-06-01

    This study investigated time to first failure of stainless steel orthodontic first permanent molar tubes (Ormco Corp) bonded with a light-cured resin adhesive (Transbond) and assessed whether this was related to patient gender, age of the patient at the start of treatment, the presenting malocclusion, or the operator. All first molar tubes were bonded to intact buccal enamel, free of any restoration. Survival analysis was carried out on data from 483 patients with 1190 bonded first molar tubes. For each case, a single molar tube, either that which was first to fail or had the shortest follow-up time, was chosen for analysis. The median time until first bonded tube failure was 699 days with an overall failure rate of 21% recorded. There was no significant difference in time to first failure of molar tubes with respect to patient gender or presenting malocclusion but significant differences were recorded with respect to the patients' age at the start of treatment and the operator. Age at the start of treatment and operator were identified as independently useful predictors of bonded molar tube survival.

  18. Predicting the rupture probabilities of molecular bonds in series.

    PubMed

    Neuert, Gregor; Albrecht, Christian H; Gaub, Hermann E

    2007-08-15

    An assembly of two receptor ligand bonds in series will typically break at the weaker complex upon application of an external force. The rupture site depends highly on the binding potentials of both bonds and on the loading rate of the applied force. A model is presented that allows simulations of force-induced rupture of bonds in series at a given force and loading rate based on the natural dissociation rates kR0,S0 and the potential width DeltaxR,S of the reference and sample bonds. The model is especially useful for the analysis of differential force assay experiments. This is illustrated by experiments on molecular force balances consisting of two 30-bp oligonucleotide duplexes where kR0,S0 and DeltaxR,S have been determined for different single nucleotide mismatches. Furthermore, prediction of the rupture site of two bonds in series is demonstrated for DNA duplexes in combination with streptavidin/biotin and anti-digoxigenin/digoxigenin, respectively.

  19. Nondestructive Determination of Bond Strength

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Although many nondestructive techniques have been applied to detect disbonds in adhesive joints, no absolutely reliable nondestructive method has been developed to detect poor adhesion and evaluate the strength of bonded joints prior to the present work which used nonlinear ultrasonic methods to investigate adhesive bond cure conditions. Previously, a variety of linear and nonlinear ultrasonic methods with water coupling had been used to study aluminum-adhesive-aluminum laminates, prepared under different adhesive curing conditions, for possible bond strength determination. Therefore, in the course of this research effort, a variety of finite-amplitude experimental methods which could possibly differentiate various cure conditions were investigated, including normal and oblique incidence approaches based on nonlinear harmonic generation as well as several non-collinear two-wave interaction approaches. Test samples were mechanically scanned in various ways with respect to the focus of a transmitting transducer operated at several variable excitation frequencies and excitation levels. Even when powerful sample-related resonances were exploited by means of a frequency scanning approach, it was very difficult to isolate the nonlinear characteristics of adhesive bonds. However, a multi-frequency multi-power approach was quite successful and reliable. Ultrasonic tone burst signals at increasing power levels, over a wide frequency range, were transmitted through each bond specimen to determine its excitation dependent nonlinear harmonic resonance behavior. Relative amplitude changes were observed particularly in the higher harmonic spectral data and analyzed using a local displacement and strain analysis in the linear approximation. Two analysis approaches of the excitation-dependent data at specific resonances were found to be quite promising. One of these approaches may represent a very robust algorithm for classifying an adhesive bond as being properly cured or not

  20. Influence of different repair procedures on bond strength of adhesive filling materials to etched enamel in vitro.

    PubMed

    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

  1. Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content.

    PubMed

    Rabideau, Brooks D; Ismail, Ahmed E

    2015-02-28

    We study the dynamics of the formation of multiple hydrogen bonds between ionic liquid anions and cellulose using molecular dynamics simulations. We examine fifteen different ionic liquids composed of 1-alkyl-3-methylimidazolium cations ([Cnmim], n = 1, 2, 3, 4, 5) paired with either chloride, acetate or dimethylphosphate. We map the transitions of anions hydrogen bonded to cellulose into different bonding states. We find that increased tail length in the ionic liquids has only a very minor effect on these transitions, tending to slow the dynamics of the transitions and increasing the hydrogen bond lifetimes. Each anion can form up to four hydrogen bonds with cellulose. We find that this hydrogen bond "redundancy" leads to multiply bonded anions having lifetimes three to four times that of singly bound anions. Such redundant hydrogen bonds account for roughly half of all anion-cellulose hydrogen bonds. Additional simulations for [C2mim]Cl, [C2mim]Ac and [C2mim]DMP were performed at different water concentrations between 70 mol% and 90 mol%. It was found that water crowds the hydrogen bond-accepting sites of the anions, preventing interactions with cellulose. The more water that is present in the system, the more crowded these sites become. Thus, if a hydrogen bond between an anion and cellulose breaks, the likelihood that it will be replaced by a nearby water molecule increases as well. We show that the formation of these "redundant" hydrogen bonding states is greatly affected by the presence of water, leading to steep drops in hydrogen bonding between the anions and cellulose.

  2. Influence of the direction of tubules on bond strength to dentin.

    PubMed

    Ogata, M; Okuda, M; Nakajima, M; Pereira, P N; Sano, H; Tagami, J

    2001-01-01

    This study investigated the influence of the direction of dentinal tubules on resin-dentin tensile bond strength (mu TBS) using four commercially available bonding systems and observed the resin-dentin interfaces with an SEM. The dentin bonding systems used in this study were Clearfil Liner Bond II (LB, Kuraray), Imperva Fluoro Bond (FB, Shofu), Single Bond (SB, 3M) and One-Step (OS, BISCO). Thirty-six extracted caries-free human molars were used for micro tensile bond testing and eight additional teeth were used for scanning electron microscopy (SEM). The teeth were divided into two groups according to the direction of the dentinal tubules at the resin-dentin interface: a perpendicular group, in which the occlusal enamel was removed perpendicular to the long axis of the tooth, and a parallel group, in which the mesial half of the tooth was removed parallel to the long axis of the tooth, and the coronal dentin surface was used for bonding. After the flat dentin surfaces were polished with #600 silicon carbide paper, each surface was treated with one of the four adhesive systems according to the manufacturer's recommendation, then covered with resin composite (Clearfil AP-X, Kuraray) to provide sufficient bulk for micro-tensile bond testing. After 24 hours in 37 degrees C water, the resin-bonded teeth were serially sliced perpendicular to the adhesive surface, the adhesive interface trimmed to a cross sectional area of 1 mm2 and subjected to tensile forces at a crosshead speed of 1 mm/min. Statistical analysis of the tensile bond strengths were performed using two-way ANOVA and Fisher's PLSD test at 95% level of confidence. The tensile bond strength of the group with tubules parallel to the bonded interface was higher than that of tubules cut perpendicularly. This tendency reached statistical significance using SB and OS.

  3. Single Molecule Mechanochemistry

    NASA Astrophysics Data System (ADS)

    Li, Shaowei; Zhang, Yanxing; Ho, Wilson; Wu, Ruqian; Ruqian Wu, Yanxing Zhang Team; Wilson Ho, Shaowei Li Team

    Mechanical forces can be used to trigger chemical reactions through bending and stretching of chemical bonds. Using the reciprocating movement of the tip of a scanning tunneling microscope (STM), mechanical energy can be provided to a single molecule sandwiched between the tip and substrate. When the mechanical pulse center was moved to the outer ring feature of a CO molecule, the reaction rate was significantly increased compared with bare Cu surface and over Au atoms. First, DFT calculations show that the presence of CO makes the Cu cavity more attractive toward H2 Second, H2 prefers the horizontal adsorption geometry in the Cu-Cu and Au-Cu cavities and no hybridization occurs between the antibonding states of H2 and states of Cu atoms. While H2 loses electrons from its bonding state in all three cavities, the filling of its anti-bonding state only occurs in the CO-Cu cavity. Both make the CO-Cu cavity much more effectively to chop the H2 molecule. Work was supported by the National Science Foundation Center for Chemical Innovation on Chemistry at the Space-Time Limit (CaSTL) under Grant No. CHE-1414466.

  4. Palladium(II)-Catalyzed C-H Bond Activation/C-C and C-O Bond Formation Reaction Cascade: Direct Synthesis of Coumestans.

    PubMed

    Neog, Kashmiri; Borah, Ashwini; Gogoi, Pranjal

    2016-12-02

    A palladium catalyzed cascade reaction of 4-hydroxycoumarins and in situ generated arynes has been developed for the direct synthesis of coumestans. This cascade strategy proceeds via C-H bond activation/C-O and C-C bond formations in a single reaction vessel. This methodology affords moderate to good yields of coumestans and is tolerant of a variety of functional groups including halide. The methodology was applied to the synthesis of natural product flemichapparin C.

  5. Chemical Bonding of Polymer on Carbon Nanotube

    DTIC Science & Technology

    2001-04-01

    vetIcal displacement of CNT z dl:streched length of C-C bond in polymer .Z dLI: streching of C-C bond within polymer SdL2: streched length Of C-C...bond at interface - dL2: streching of C-C bond at intedace of B of polymer/CNT ’ n polymer-CNT at first bonding site E 1 1 I dL3: streching of C-C bond

  6. The effect of different adhesive system applications on push-out bond strengths of glass fiber posts

    PubMed Central

    Deniz Arısu, Hacer; Üçtaşlı, Mine Betül; Okay, Tufan Can

    2013-01-01

    PURPOSE Over the past years, the adhesion of fiber posts luted with simplified adhesive systems has been a matter of great interest. The aim of this study was to assess the post retentive potential of a self-adhesive resin cement using different adhesive systems to compare the push-out bond strengths of fiber posts. MATERIALS AND METHODS The post spaces of 56 mandibular premolar roots were prepared and divided into 4 experimental groups and further divided into 2 subgroups according to testing time (n=7). The fiber posts (Rely X Fiber Post) were luted with a self-adhesive resin cement (RelyX Unicem) and one of the following adhesive systems: no adhesive, a total-etch adhesive resin (Single Bond), a two-step self-etch adhesive resin (Clearfil SE Bond) and a one-step self-etch adhesive resin (Clearfil S3 Bond). Each root was cut horizontally, and 1.5 mm thick six root segments were prepared. Push-out tests were performed after one week or three months (0.5 mm/min). Statistical analysis were performed with three-way ANOVA (α=.05). RESULTS Cervical root segments showed higher bond strength values than middle segments. Adhesive application increased the bond strength. For one week group, the total-etch adhesive resin Single Bond showed higher bond strength than the self-adhesive resin cement RelyX Unicem applied without adhesive resin at middle region. For 3 months group, the two-step self-etch adhesive resin Clearfil SE Bond showed the highest bond strength for both regions. Regarding the time considered, Clearfil SE Bond 3 months group showed higher bond strength values than one week group. CONCLUSION Using the adhesive resins in combination with the self-adhesive resin cement improves the bond strengths. The bond strength values of two-step self-etch adhesive resin Clearfil SE Bond improved as time passes. PMID:24049572

  7. Chemical Bonding Technology: Direct Investigation of Interfacial Bonds

    NASA Technical Reports Server (NTRS)

    Koenig, J. L.; Boerio, F. J.; Plueddemann, E. P.; Miller, J.; Willis, P. B.; Cuddihy, E. F.

    1986-01-01

    This is the third Flat-Plate Solar Array (FSA) Project document reporting on chemical bonding technology for terrestrial photovoltaic (PV) modules. The impetus for this work originated in the late 1970s when PV modules employing silicone encapsulation materials were undergoing delamination during outdoor exposure. At that time, manufacturers were not employing adhesion promoters and, hence, module interfaces in common with the silicone materials were only in physical contact and therefore easily prone to separation if, for example, water were to penetrate to the interfaces. Delamination with silicone materials virtually vanished when adhesion promoters, recommended by silicone manufacturers, were used. The activities related to the direct investigation of chemically bonded interfaces are described.

  8. To Compare the Microleakage Among Experimental Adhesives Containing Nanoclay Fillers after the Storages of 24 Hours and 6 Months

    PubMed Central

    Mousavinasab, Seyed Mostafa; Atai, Mohammad; Alavi, Bagher

    2011-01-01

    Objectives: To compare the microleakage among experimental adhesives containing nanoclay fillers after the storages of 24 hours and 6 months. Materials and Methods: Class V cavities were prepared on extracted human molars with the occlusal margins located in enamel and the cervical margins in cementum. Phosphoric acid was applied to the enamel and dentin margins.Subsequently, the cavities were treated using four groups of experimental adhesive systems and restored with a resin composite. Adper Single Bond® was used as control group. After 24- hour and 6- month storages, the samples were subjected to thermocycling shocks and then immersed in silver nitrate as well as developer solution and finally evaluated for leakage. The data were analyzed using SPSS software. Results: Based on Kruskal –Wallis test, significant differences were found between groups regarding microleakage. The Mann- Whitney test showed that Leakage was significantly lower in Adper Single Bond® compared to the other groups in dentinal margins after 24 hours and 6 months and in enamel margins after 6 months. The Wilcoxon Signed Ranks test showed that the enamel leakage in experimental adhesives was significantly lower than dentinal leakage after 24 hours as well as enamel leakage in Adper Single Bond and adhesive with 0.5% PMAA-g-nanoclay was significantly lower than dentinal margins after storage period of 6 months. Conclusion: All the experimental adhesives were effective in reducing enamel leakage after 24 hours, but were not effective in reducing dentinal leakage after 24 hours as well as in enamel and dentinal leakage after a 6-month storage. No improvement was observed in the microleakage in dentin in both short (24 hrs) and long times (6 months). The high microleakage in the adhesives is probably attributed to the high concentration of HEMA in the recipe of the bonding agent. PMID:21566692

  9. Adhesive bonding via exposure to variable frequency microwave radiation

    SciTech Connect

    Paulauskas, F.L.; McMillan, A.D.; Warren, C.D.

    1996-05-01

    Adhesive bonding through the application of variable frequency microwave (VFM) radiation has been evaluated as an alternative curing method for joining composite materials. The studies showed that the required cure time of a thermosetting epoxy adhesive is substantially reduced by the use of VFM when compared to conventional (thermal) curing methods. Variable frequency microwave processing appeared to yield a slight reduction in the required adhesive cure time when compared to processing by the application of single frequency microwave radiation. In contrast to the single frequency processing, the variable frequency methodology does not readily produce localized overheating (burnt or brown spots) in the adhesive or the composite. This makes handling and location of the sample in the microwave oven less critical for producing high quality bonds and allows for a more homogeneous distribution of the cure energy. Variable frequency microwave processing is a valuable alternative method for rapidly curing thermoset adhesives at low input power levels.

  10. 76 FR 14746 - Surety Companies Acceptable on Federal Bonds Change in State of Incorporation; Western Bonding...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-17

    ... Bonding Company; Western Insurance Company AGENCY: Financial Management Service, Fiscal Service... Bonding Company (NAIC 13191) and Western Insurance Company (NAIC 10008) have redomesticated from the...

  11. An In vitro Evaluation of the Effect of Four Dentin Bonding System on the Bond Strength between Quartz Fiber Post and Composite Core

    PubMed Central

    Shirinzad, M.; Ebadi, Sh.; Shokripour, M.; Darabi, MA.

    2014-01-01

    Statement of Problem: A strong bond of fiber post to resin core, as well as to dentin would critically ensure the durability of restorations in endodontically treated teeth. Purpose: The purpose of this study was to evaluate the effect of etch-and-rinse dentin bonding systems on the bond strength between resin core and fiber post after application of 24% hydrogen peroxide.  Materials and Method: 24 fiber posts (RTD; St. Egèven, France) were treated with 24% hydrogen peroxide for 10 minutes. They were randomly divided into 4 groups (n=6) based on the bonding agent used: Group P: Prime&Bond, Group O: One Step, Group S: Single Bond and Group E: Excite. Each group was prepared according to the manufacturer’s instructions. For all posts, a flowable composite core (ÆliteFlo; Bisco, USA) was built-up over the bonded area. Each specimen was sectioned to produce 2 sticks, 1mm in thickness and underwent microtensile bond strength (µTBS). Data were analyzed using one-way ANOVA at the 0.05 level. The fractured surfaces of all sticks were evaluated by stereomicroscope (× 20). Scanning electron microscopy(SEM) assessment of two sticks from each group was performed to evaluate the surface morphology. Results: The means and SDs of µTBS were: Group P: 10.95±1.74; Group S: 10.25±2.39; Group E: 9.52±2.07; and Group O: 9.12±1.34. There was no statistically significant difference in bond strength means between the groups tested (p> 0.05).   Conclusion: The results of this study indicated the bonding agents used had no significant influence on the bond strength of fiber post to composite core. PMID:24738086

  12. Selective Sensing of Phosphates by a New Bis-heteroleptic Ru(II) Complex through Halogen Bonding: A Superior Sensor over Its Hydrogen-Bonding Analogue.

    PubMed

    Chowdhury, Bijit; Sinha, Sanghamitra; Ghosh, Pradyut

    2016-12-12

    The selective phosphate-sensing property of a bis-heteroleptic Ru(II) complex, 1[PF6 ]2 , which has a halogen-bonding iodotriazole unit, is demonstrated and is shown to be superior to its hydrogen-bonding analogue, 2[PF6 ]2 . Complex 1[PF6 ]2 , exploiting halogen-bonding interactions, shows enhanced phosphate recognition in both acetonitrile and aqueous acetonitrile compared with its hydrogen-bonding analogue, owing to considerable amplification of the Ru(II) -center-based metal-to-ligand charge transfer (MLCT) emission response and luminescence lifetime. Detailed solution-state studies reveal a higher association constant, lower limit of detection, and greater change in lifetime for complex 1 in the presence of phosphates compared with its hydrogen-bonding analogue, complex 2. The (1) H NMR titration study with H2 PO4(-) ascertains that the binding of H2 PO4(-) occurs exclusively through halogen-bonding or hydrogen-bonding interactions in complexes 1[PF6 ]2 and 2[PF6 ]2 , respectively. Importantly, the single-crystal X-ray structure confirms the first ever report on metal-assisted second-sphere recognition of H2 PO4(-) and H2 P2 O7(2-) with 1 through a solitary C-I⋅⋅⋅anion halogen-bonding interaction.

  13. Complexes between hypohalous acids and phosphine derivatives. Pnicogen bond versus halogen bond versus hydrogen bond

    NASA Astrophysics Data System (ADS)

    Li, Qingzhong; Zhu, Hongjie; Zhuo, Hongying; Yang, Xin; Li, Wenzuo; Cheng, Jianbo

    2014-11-01

    The complexes of HOBr:PH2Y (Y = H, F, Cl, Br, CH3, NH2, OH, and NO2), HOCl:PH2F, and HOI:PH2F have been investigated with ab initio calculations at the MP2/aug-cc-pVTZ level. Four types of structures (1, 2, 3a, and 3b) were observed for these complexes. 1 is stabilized by an O⋯P pnicogen bond, 2 by a P⋯X halogen bond, 3a by a H⋯P hydrogen bond and a P⋯X pnicogen bond, and 3b by H⋯P and H⋯Br hydrogen bonds. Their relative stability is related to the halogen X of HOX and the substituent Y of PH2Y. These structures can compete with interaction energy of -10.22 ∼ -29.40 kJ/mol. The Hsbnd O stretch vibration shows a small red shift in 1, a small irregular shift in 2, but a prominent red shift in 3a and 3b. The Xsbnd O stretch vibration exhibits a smaller red shift in 1, a larger red shift in 2, but an insignificant blue shift in 3a and 3b. The Psbnd Y stretch vibration displays a red shift in 1 but a blue shift in 2, 3a, and 3b. The formation mechanism, stability, and properties of these structures have been analyzed with molecular electrostatic potentials, orbital interactions, and non-covalent interaction index.

  14. Ultra precision and reliable bonding method

    NASA Technical Reports Server (NTRS)

    Gwo, Dz-Hung (Inventor)

    2001-01-01

    The bonding of two materials through hydroxide-catalyzed hydration/dehydration is achieved at room temperature by applying hydroxide ions to at least one of the two bonding surfaces and by placing the surfaces sufficiently close to each other to form a chemical bond between them. The surfaces may be placed sufficiently close to each other by simply placing one surface on top of the other. A silicate material may also be used as a filling material to help fill gaps between the surfaces caused by surface figure mismatches. A powder of a silica-based or silica-containing material may also be used as an additional filling material. The hydroxide-catalyzed bonding method forms bonds which are not only as precise and transparent as optical contact bonds, but also as strong and reliable as high-temperature frit bonds. The hydroxide-catalyzed bonding method is also simple and inexpensive.

  15. G. N. Lewis and the Chemical Bond.

    ERIC Educational Resources Information Center

    Pauling, Linus

    1984-01-01

    Discusses the contributions of G. N. Lewis to chemistry, focusing on his formulation of the basic principle of the chemical bond--the idea that the chemical bond consists of a pair of electrons held jointly by two atoms. (JN)

  16. 'Love Hormone' Helps Dads and Babies Bond

    MedlinePlus

    ... page: https://medlineplus.gov/news/fullstory_163657.html 'Love Hormone' Helps Dads and Babies Bond Brain scans ... 2017 FRIDAY, Feb. 17, 2017 (HealthDay News) -- The "love hormone" oxytocin may program fathers to bond with ...

  17. 25 CFR 214.4 - Bonds.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... MINING, EXCEPT OIL AND GAS § 214.4 Bonds. Lessee shall furnish with each lease at the time it is filed... consent of the Indian landowner may authorize a bond for a lesser amount if, in his opinion,...

  18. 25 CFR 214.4 - Bonds.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... MINING, EXCEPT OIL AND GAS § 214.4 Bonds. Lessee shall furnish with each lease at the time it is filed... consent of the Indian landowner may authorize a bond for a lesser amount if, in his opinion,...

  19. 29 CFR 501.9 - Surety bond.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...) The bond must be payable to the Administrator, Wage and Hour Division, United States Department of Labor, 200 Constitution Avenue, NW., Room S-3502, Washington, DC 20210. The bond must obligate...

  20. Eutectic bonding of sapphire to sapphire

    NASA Technical Reports Server (NTRS)

    Deluca, J. J.

    1973-01-01

    Eutectic mixture of aluminum oxide and zirconium oxide provides new bonding technique for sapphires and rubies. Technique effectively reduces possibility of contamination. Bonding material is aluminum oxide and zirconium oxide mixture that matches coefficient of thermal expansion of sapphire.