Search results for "bond"
showing 10 items of 3527 documents
Hanging disguised as bondage: accidental or suicidal death?
2020
The concept of autoerotic asphyxiation refers to the use of devices or substances intended to enhance one's arousal by inducing cerebral hypoxia, which can involuntarily lead to death. Although in most cases death occurs accidentally, it is nonetheless true that the same devices might be used by the practitioners in order to attempt suicide. The case of a 34-year-old practitioner of autoerotic asphyxiation found dead in his apartment with bondage-like ligatures and masking is reported here. The case raised some issues concerning the accidental or suicidal nature of the act. The aspects taken into account in the management of the case are discussed, along with a compared approach to the data…
Effect of self-etching primer/adhesive and conventional bonding on the shear bond strength in metallic and ceramic brackets
2011
Introduction: Bracket debonding from the tooth surface is a common problem in fixed orthodontics. The aims of the present study were to assess the bond strength and failure sites in two ways of bonding technique, with metallic and ceramic brackets. Material and Methods: One hundred premolars were assigned to 4 groups of 25 each: Group A, metallic brackets/ conventional procedure; Group B, metallic brackets/Transbond XT; Group C, ceramic brackets/conventional procedure; and Group D, ceramic brackets/Transbond XT. Transbond XT composite paste was used for bracket bonding and cured by conventional light-cure device. Specimens were subjected to thermocycling. One week after bonding shearing for…
How can droplet formation occur in endodontically treated teeth during bonding procedures?
2008
PURPOSE: The aim of this in vivo study was to clarify how blistering formation occurs along intraradicular dentin bonded interfaces. MATERIALS AND METHODS: Patients were selected and post space was prepared in vivo in endodontically treated teeth. Post space was etched, dried with ethanol, and bonded with one of the following adhesive systems: All Bond 2, XP-Bond, Clearfil SE Bond, Xeno III. The four adhesives were considered as representative of each bonding system class. An additional group was prepared with phosphoric acid treatment + application of Pre-Bond unfilled resin of All Bond 2, without the use of the primer agent. Etching was avoided for self-etching materials. Replicas of the …
Formation of supramolecular aggregates by hydrogen bonding based on bispyrimidine and bisbarbituric acid
1997
Hydrogen bonds between bispyrimidine and bisbarbituric acid in equal molar ratio can lead to the formation of supramolecular aggregates. This is established by TEM, IR and DSC measurements. Additionally, WAXS pattern showed that the aggregate is of laminar structure. Both the hydrolysis of this system and termination of the aggregate's growth were studied.
Hydroxo Hydrido Complexes of Iron and Cobalt (Sn−Fe−Sn, Sn−Co−Sn): Probing Agostic Sn⋅⋅⋅H−M Interactions in Solution and in the Solid State
2000
Bis(toluene)iron 9 reacts with Lappert's stannylene [Sn[CH(SiMe3)2]2] (4) to form the paramagnetic bis-stannylene complex [[(eta6-toluene)Fe-Sn-[CH(SiMe3)2]2]2] (10). Compound 10 reacts with H2O to form the hydroxo hydrido complex [(eta6-C7H8)(mu-OH)(H)-Fe-[Sn[CH(SiMe3)2]2]2] (12) in high yield; its solid-state structure has been elucidated by X-ray and neutron diffraction analysis. In agreement with the 1H NMR results, 12 contains a hydridic ligand whose exact coordination geometry could be determined by neutron diffraction. The 1H and 119Sn NMR analysis of 12 suggested a multicenter Sn/Sn/H/Fe bonding interaction in solution, based on significantly large values of J(Sn,H,Fe) = 640+/-30 Hz…
Conformational studies into N-methylation of alanine diamide models: A quantitative approach
2006
Abstract A systematic theoretical analysis was performed on N -acetyl- l -alanine N ′-methylamide (Ac- l -Ala-NHMe) and the analogues methylated on the N-terminus (Ac- l -(Me)Ala-NHMe), C-terminus (Ac- l -Ala-NMe 2 ), and both N/C-termini (Ac- l -(Me)Ala-NMe 2 ), to evaluate the influence of methylation of the amide group on the conformational properties of the affected residues. The ϕ , ψ potential energy surfaces were calculated at the B3LYP/6-31+G**//HF/3-21G level of theory with inclusion of the solvent (water) effect (SCRF method). The conformers localised were fully optimised at the B3LYP/6-31+G** in vacuo. The accessible areas of the potential energy surfaces; the number of conformer…
DFT study of N–H···O hydrogen bond between model dehydropeptides and water molecule
2013
The strength of the hydrogen bond formed between a water molecule and two α,β-dehydroalanine derivatives including Ac-ΔAla-NMe2 (1) and Ac-ΔAla-NHMe (2) in comparison with standard amino acid Ac-Ala-NMe2 (3) is studied by density functional theory (with M06-2X and B3LYP functionals). Calculations were conducted for two different conformations of the peptides: extended (C5) and bent (β) with polyproline II backbone dihedral angles. The obtained results show that both dehydro and standard peptides in bent conformation form stronger hydrogen bonds with water than in the extended ones. Moreover, due to higher polarity of the N–H group of α,β-dehydroalanine residues, the H-bond in their complexe…
Theozyme for antibody aldolases. Characterization of the transition-state analogueElectronic supplementary information (ESI) available: MP2/6-31G** e…
2003
A theozyme for antibody aldolases has been studied at the MP2/6-31G** computational level. Formation of two cooperative hydrogen-bonds between the acidic hydrogen atoms of the enamine and of a methanol molecule with the oxygen atom of the aldol acceptor markedly favors the C–C bond-formation associated with the aldol reaction. A comparative analysis of the geometry, the charge distribution and the shape of the molecular electrostatic potential of the transition structure (TS) with the covalent adduct, resulting from the reaction of methylamine and the β-diketone used as a hapten allows us to characterize the transition-state analogue (TSA) generated at immunization. This finding allows us t…
Modelling of proton and metal exchange in the alginate biopolymer.
2005
Acid-base behaviour of a commercial sodium alginate extracted from brown seaweed (Macrocystis pyrifera) has been investigated at different ionic strengths (0.1or=I/mol l(-1)or=1.0) and in different supporting electrolytes (Et4NI, NaCl, KCl, LiCl, NaCl+MgCl2), with the aim of examining the influence of ionic medium on the proton-binding capacity and of quantifying the strength of interaction with light metal ions in the perspective of speciation studies in natural aqueous systems. Potentiometric ([H+]-glass electrode) and titration calorimetric data were expressed as a function of the dissociation degree (alpha) using different models (Henderson-Hasselbalch modified, Högfeldt three parameter…
Synthesis, characterization, and thermal behavior of steroidal dendrons
2004
A series of novel dendritic steroidal polyesters of first and second generation has been synthesized in convergent fashion by the use of 2,2-bis(hydroxymethyl)propionic acid as a repeating unit. The first- and second-generation hydroxy-functionalized dendrons with a variety of surface modifications were produced through the use of four bile acids: lithocholic acid (LCA), ursodeoxycholic acid (UDCA), deoxycholic acid (DCA), and cholic acid (CA). The thermal behavior of the steroidal dendrons was characterized by differential scanning calorimetry (DSC) and by thermogravimetric analysis (TGA). Finally, quantum chemical calculation methods were used to study the geometries of the dendrons and t…