Search results for "bond"
showing 10 items of 3527 documents
Covalent binding of drug metabolites to DNA ? a tool of predictive value?
1980
The presently available data suggest at least some correlation between covalent binding of drug metabolites to DNA and carcinogenicity of that drug. More data, however, are needed to establish the predictability of covalent DNA binding assays for extrahepatic cancer. A covalent binding assay requires administration of radioactively labelled compound to the experimental animals; the availability of labelled compound and requirements as to radiochemical purity, chemical and biochemical stability are limiting the applicability of this procedure. Many technical pitfalls accompany covalent DNA binding assays. It is concluded that at the present time DNA binding assays do not represent routine pr…
Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection
2021
The identification of chemical compounds able to bind specific sites of the human/viral proteins involved in the SARS-CoV-2 infection cycle is a prerequisite to design effective antiviral drugs. Here we conduct a molecular dynamics study with the aim to assess the interactions of ivermectin, an antiparasitic drug with broad-spectrum antiviral activity, with the human Angiotensin-Converting Enzyme 2 (ACE2), the viral 3CLpro and PLpro proteases, and the viral SARS Unique Domain (SUD). The drug/target interactions have been characterized in silico by describing the nature of the non-covalent interactions found and by measuring the extent of their time duration along the MD simulation. Results …
Fluoride complexation of rutherfordium (Rf, element 104)
2000
The fluoride complexation of the group-4 elements Zr, Hf and Rf, and of the pseudo-homolog Th, has been investigated in mixed HNO3/HF solutions by studying Kd values on both cation exchange resins (CIX) and anion exchange resins (AIX) using the automated rapid chemistry apparatus ARCA. On the CIX, the four elements are strongly retained as cations below 10-3M HF. For Zr and Hf, the decrease of the Kd values due to the formation of fluoride complexes occurs between 10-3M HF and 10-2M HF. For Rf and Th, this decrease is observed at one order of magnitude higher HF concentrations. On the AIX, for Zr and Hf, a rise of the Kd values due to the formation of anionic fluoride complexes is observed …
Marginal integrity of class V restorations: SEM versus dye penetration.
2006
To perform an in vitro investigation on the marginal integrity of different adhesives (Optibond FL, Scotchbond 1XT, Clearfil SE Bond, Adper Prompt L-Pop, S(3) Bond, iBond exp., Adper Prompt L-Pop) in combination with Tetric Ceram as well as an experimental silorane-restorative (Hermes, Hermes Bond; 3M ESPE) using SEM and dye penetration (2% methylene blue) in a comparative manner.Standardized class V-cavities (3 mm x 1.5 mm) were prepared in 70 extracted human teeth (n=10). The adhesives were applied according to manufacturers' instructions. The cavities were restored with three increments. After finishing and polishing (Sof-Lex discs) and thermocycling (5000x, 5/55 degrees C), replicas wer…
Marginal integrity of different resin-based composites for posterior teeth: an in vitro dye-penetration study on eight resin-composite and compomer-/…
2002
Abstract Objective: To determine improvements in marginal adaptation of resin-based composite restorative systems by means of flow-composites (Solitaire 2/Gluma Solid Bond, Solitaire 2/Flow Line/Gluma Solid Bond, Point 4/Optibond Solo Plus, Point 4/Revolution/Optibond Solo Plus) and to determine the equality of simplified bonding systems (Solitaire 2/Gluma Comfort Bond, Tetric Ceram/Tetric Flow/Excite, Dyract AP/Prime & Bond NT/NRC, Pertac II/Prompt-L-Pop) in marginal gap formation. Methods: The marginal dye penetration (2% methylene-blue) was investigated separately for the approximal boxes of Class II mod-cavities with one cervical margin of the approximal box within enamel, the other wit…
Comparative Study of the Mechanical Unfolding Pathways of α- and β-Peptides
2015
Using molecular simulations, we analyze the unfolding pathways of various peptides. We compare the mechanical unfolding of a β-alanine's octamer (β-HAla8) and an α-alanine's decamer (α-Ala10). Using force-probe molecular-dynamics simulations, to induce unfolding, we show that the 3(14)-helix formed by β-HAla8 is mechanically more stable than the α-helix formed by α-Ala10, although both structures are stabilized by six hydrogen bonds. Additionally, computations of the potential of mean force validate this result and show that also the thermal stability of the 3(14)-helix is higher. It is demonstrated that β-HAla8 unfolds in a two-step fashion with a stable intermediate. This is contrasted wi…
Testing for external sustainability under a monetary integration process. Does the Lawson doctrine apply to Europe?
2015
Monetary integration, and more specifically, the creation of a monetary union in Europe, raises new economic questions concerning its functioning and governance. In particular, we focus on the implications of high and persistent current account deficits for the economic performance of monetary union members in the medium term. Recent literature has argued that conventional measures of external sustainability are misleading because they omit the effects of capital variations on net foreign asset positions due to, among others, stock or debt market crises. In this paper we revisit external sustainability making use of the database developed by Lane and Milesi-Ferretti (2007) that includes the…
Crystal Structure and Local Dynamics in Tetrahedral Proton-Conducting La1-xBa1+xGaO4
2010
La1-xBa1+xGaO4-0 (LBG) compounds, based on unconnected GaO4 moieties, were recently proposed as proton conductors. Protonic defects in the lattice are inserted through self-doping with Ba2+, to create oxygen vacancies subsequently filled by hydroxyl ions. We present a combined structural analysis on self-doped LBG using X-ray diffraction (XRD) and X-ray absorption (EXAFS): these results unravel the finer structural details on the short-range and long-range scales, and they are correlated with the dynamical properties of protonic conduction coming from vibrational spectroscopy. The structure of the GaO4 groups is independent of the oxide composition. On hydration, an array of short intertetr…
Surface debris of canal walls after post space preparation in endodontically treated teeth: A scanning electron microscopic study
2004
Abstract Purpose To evaluate surface cleanliness of root canal walls along post space after endodontic treatment using 2 different irrigant regimens, obturation techniques, and post space preparation for adhesive bonding. Study design Forty teeth, divided into 4 groups, were instrumented, using Ni-Ti rotary files, irrigated with NaOCl or NaOCl + EDTA and obturated with cold lateral condensation (CLC) or warm vertical condensation (WVC) of gutta-percha. After post space preparation, etching, and washing procedure, canal walls were observed using a scanning electron microscope (SEM). Amount of debris, smear layer, sealer/gutta-percha remnants, and visibility of open tubules were rated. Result…
Site-specific targeting of enterovirus capsid by functionalized monodisperse gold nanoclusters
2014
Development of precise protocols for accurate site-specific conjugation of monodisperse inorganic nanoparticles to biological material is one of the challenges in contemporary bionanoscience and nanomedicine. We report here a successful site-specific covalent conjugation of functionalized atomically monodisperse gold clusters with 1.5-nm metal cores to viral surfaces. Water-soluble Au102(para-mercaptobenzoic acid)44 clusters, functionalized by maleimide linkers to target cysteines of viral capsid proteins, were synthesized and conjugated to enteroviruses echovirus 1 and coxsackievirus B3. Quantitative analysis of transmission electron microscopy images and the known virus structures showed …