Search results for "Number"
showing 10 items of 3939 documents
Biomechanical behavior of cavity configuration on micropush-out test: A finite-element-study
2009
Objective: The objective of this study was to simulate the micropush-out bond strength test from a biomechanical point of view. For this purpose, stress analysis using finite element (FE) method was performed. Study design: Three different occlusal cavity shapes were simulated in disc specimens (model A: 1.5 mm cervical, 2 mm occlusal diameter; model B: 1.5 mm cervical, 1.75 mm occlusal diameter; model C: 1.5 mm cervical, 1.5 mm occlusal diameter). Quarter sizes of 3D FE specimen models of 4.0×4.0×1.25 mm3 were constructed. In order to avoid quantitative differences in the stress value in the models, models were derived from a single mapping mesh pattern that generated 47.182 elements and 6…
Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bi…
2008
The synthesis of N,S-heterodisubstituted 1-(2'-pyridyl)-2-SR-1,2-closo-C2B10H10 compounds (R = Et, 2; R = (i)Pr, 3) has been accomplished starting from 1-(2'-pyridyl)-l,2-closo-C2B10H11 (1), and their partial deboronation reaction leading to the structurally chiral [7-(2'-pyridyl)-8-SR-7,8-nido-C2B9H10]-derivatives (R = Et, [4]-; R = (i)Pr, [5]-) has been studied. Capillary electrophoresis combined with the chiral selector alpha-cyclodextrin has permitted the separation of the electrophoretically pure racemic [7-(2'-pyridyl)-8-SR-7,8-nido-C2B9H11]- ions into two peaks each one corresponding to the interaction of one enantiomer with the alpha-cyclodextrin. The N,S-heterodisubstituted o-carbo…
DFT analysis of titanium complexes with oxygen-containing bidentate ligands
2003
Strength of the TiO co-ordinate bond in several titanium complexes with bidentate ligands has been investigated by means of DFT. Mutual interaction of particular donors and their influence on Lewis acidity of the central atom have also been studied. The energy of ligand binding ranges from −19 to −454 kJ/mol, depending on the kind of donors. Calculations confirm that a strong donor, alkoxide anion, co-ordinatively saturates the titanium and makes binding of new ligands less exoenergetic. On the contrary, two oxygen atoms of similar donor number do not have much influence on each other. Strength of the TiO bonds in titanium complexes with certain oxygen-containing bidentate ligands has bee…
Random Slicing: Efficient and Scalable Data Placement for Large-Scale Storage Systems
2014
The ever-growing amount of data requires highly scalable storage solutions. The most flexible approach is to use storage pools that can be expanded and scaled down by adding or removing storage devices. To make this approach usable, it is necessary to provide a solution to locate data items in such a dynamic environment. This article presents and evaluates the Random Slicing strategy, which incorporates lessons learned from table-based, rule-based, and pseudo-randomized hashing strategies and is able to provide a simple and efficient strategy that scales up to handle exascale data. Random Slicing keeps a small table with information about previous storage system insert and remove operations…
Stir bar sorptive-dispersive microextraction mediated by magnetic nanoparticles-nylon 6 composite for the extraction of hydrophilic organic compounds…
2016
A new and sensitive analytical method based on the recently developed approach termed stir bar-sorptive dispersive microextraction (SBSDME) using a magnetic CoFe2O4@SiO2-nylon 6 composite as sorbent material is presented for the extraction of hydrophilic organic compounds. The simultaneous determination of four hydrophilic UV filters in environmental water samples has been chosen as a model analytical application due to the increasing awareness regarding the occurrence of sunscreen residuals in natural waters. The developed SBSDME approach combines the principles and benefits of stir bar sorptive extraction (SBSE) and dispersive solid phase extraction (DSPE) but allows for lower extraction …
Quantifying both ammonium and proline in wines and beer by using a PDMS composite for sensoring.
2019
Abstract Two of the reagents involved in the Berthelot's reaction, thymol and nitroprusside, were embedded in a PDMS composite in order to apply this assay to determine ammonium and proline, in wine and beers. Safety, portability, rapidity, cost-effectiveness and simplicity of the assay were improved. For the proline determination, a modified Berthelot's reaction, which included a ring cleavage of proline, was optimized. The accuracy of the assay was tested. The limits of detection for ammonium was 0.12 µg mL−1 and for proline was in the range from 0.7 to 4.1 µg mL−1, depending on the kind of wine (white, red, or sweet), for beer the LOD was 6 µg mL−1. The precision achieved was slower than…
Detergent Properties Influence the Stability of the Glycophorin A Transmembrane Helix Dimer in Lysophosphatidylcholine Micelles
2012
AbstractDetergents might affect membrane protein structures by promoting intramolecular interactions that are different from those found in native membrane bilayers, and fine-tuning detergent properties can be crucial for obtaining structural information of intact and functional transmembrane proteins. To systematically investigate the influence of the detergent concentration and acyl-chain length on the stability of a transmembrane protein structure, the stability of the human glycophorin A transmembrane helix dimer has been analyzed in lyso-phosphatidylcholine micelles of different acyl-chain length. While our results indicate that the transmembrane protein is destabilized in detergents w…
Analytic gradients for the coupled-cluster singles, doubles, and triples (CCSDT) model
2002
The first implementation of analytic gradients for the coupled-cluster singles, doubles, triples (CCSDT) model is described. The relevant theoretical expressions are given in a diagrammatic form together with the corresponding algebraic formulas. The computational requirements of CCSDT gradient calculations are discussed and their applicability demonstrated by performing benchmark calculations for molecular geometries with large correlation-consistent basis sets. A statistical analysis of the data reveals that CCSDT and CCSD(T) in most cases perform equally well. The CCSDT calculations thus provide further evidence for the high accuracy of the CCSD(T) approach.
Fichte's and Husserl's critique of Kant's transcendental deduction
1985
The specific topic of this chapter is the difference between the attempt in speculative and dialectical thinking on the one hand, and transcendental phenomenology on the other, to solve the enigmas presented by Kant’s transcendental deduction. The thesis is that they are diametrically opposed. The main concern is systematic and not philological-historical. That means, among other things, that the well-known fact that Husserl has a certain preference for the deduction in edition A and that Fichte refers mostly to edition B will not be corroborated in an interpreting of all the passages in both in which they refer to the deduction. What is at stake is a general systematic and theoretical expl…
Structure of amorphousGe8Sb2Te11:GeTe-Sb2Te3alloys and optical storage
2009
The amorphous structure of ${\text{Ge}}_{8}{\text{Sb}}_{2}{\text{Te}}_{11}$, an alloy used in the Blu-ray Disc, the de facto successor to digital versatile disk (DVD) optical storage, has been characterized by large-scale (630 atoms, 0.4 ns) density-functional/molecular-dynamics simulations using the new PBEsol approximation for the exchange-correlation energy functional. The geometry and electronic structure agree well with available x-ray diffraction data and photoelectron measurements. The total coordination numbers are Ge: 4.0, Sb: 3.7, and Te: 2.9, and the Ge-Ge partial coordination number is 0.7. Most atoms (particularly Sb) prefer octahedral coordination but 42% of Ge atoms are ``tet…