Search results for "bonding"
showing 10 items of 996 documents
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations
2015
The structure and dynamics of the water/vapor interface is revisited by means of path-integral and second-generation Car-Parrinello ab-initio molecular dynamics simulations in conjunction with an instantaneous surface definition [A. P. Willard and D. Chandler, J. Phys. Chem. B 114, 1954 (2010)]. In agreement with previous studies, we find that one of the OH bonds of the water molecules in the topmost layer is pointing out of the water into the vapor phase, while the orientation of the underlying layer is reversed. Therebetween, an additional water layer is detected, where the molecules are aligned parallel to the instantaneous water surface.
Deviations from equilibrium at the interface of a charged membrane
1989
The local equilibrium assumption commonly employed for the transport through the interface of a charged membrane has been analysed from a simplified electric double layer model. This layer is characterized on the basis of a surface potential arising from a non-zero surface charge density placed on the membrane surface. The dependence of deviations from local equilibrium on the characteristic parameters of the problem is shown. Connection with the classical treatment by Donnan is discussed. Although the complexity of the problem calls for a number of simplifications, the results obtained appears to be significative. Thus, the analysis carried out displays not only that deviations from equili…
New solutions of preparation and activation of surfaces
2017
Organic coatings applied on the surface of cast iron pipes ensure very good chemical and anti-corrosion protection against aggressive effluents. To improve adherence between coating (epoxy) and substrate, a surface preparation is required. Among conventional processes shot blasting has emerged as the most efficient and cheapest solution for ensuring stripping while generating adapted roughness. However, as it may enhance both mechanical anchorage and chemical bonding a better understanding of these phenomena should be developed. Besides new eco-friendly alternatives were investigated.Indeed, new techniques were evaluated, i.e. laser structuring and an ultra-high pressure water jet whose maj…
Binding of Na+ ions to proteins: Effect on taste perception
2015
Abstract This study investigated the relationship between the ionic binding of sodium and salty perception in protein matrices. Protein type (i.e. gelatin, milk protein and soy protein), protein concentration and pH were varied to obtain matrices with distinct compositions and rheological properties. 23Na NMR spectroscopy was used to determine the ratio of sodium ions bound to proteins and the mobility of sodium ions. The results showed that protein type, concentration and pH affected the rheological properties of the protein matrices, the ionic binding of sodium ions and taste intensity. As the protein concentration increased, the mobility of sodium ions decreased and the ratio of bound so…
Facilitating organisational learning through teamwork-based knowledge management: evidence from Spain
2015
[EN] In the context of organisational learning optimisation through knowledge management policies, it is essential to pay careful attention to teamwork design and dynamics. Having these ideas in mind, the aim of our paper is to empirically study whether a number of knowledge management policies related to team design and dynamics facilitate organisational learning processes across the different ontological levels (individual, group, and organisational-institutional). Hence, we propose a model linking teamwork-design based on knowledge management policies (including the sub-dimensions of team composition, team bonding, and team bridging) and organisational learning. We test this model in a s…
The ionic tin(IV) complex tri-μ2-methoxy-μ3-oxo-tris[di-tert-butyltin(IV)] tri-μ2-methoxy-bis[tert-butyldimethoxystannate(IV)]
2004
The solid-state of the title compound, [Sn3(C4H9)6(CH3O)3O][Sn2(C4H9)2(CH3O)7], consists of distinct [tBu6Sn3(μ-OCH3)3(μ3-O)]+ cations and [tBu2Sn2(OCH3)4(μ-OCH3)3]− anions, apparently formed as a result of slow hydrolysis of pure di(tert-butyl)dimethoxystannane, tBu2Sn(OCH3)2. In the monocation, the coordination about the Sn atoms is distorted trigonal bipyramidal, and, in the monoanion, distorted octahedral. The trigonal bipyramidal arrangement induces planarity of the Sn3O4 motif.
Comparative studies of the Pschorr reaction in the pyrazole series. Access to the new dibenzo[e,g]pyrazolo[1,5-a][1,3]diazocine system of pharmaceuti…
2008
The diazonium tetrafluoroborate 11 obtained from 2-amino-N-methyl-N-(1-phenyl-3- methylpyrazol-5-yl)benzamide was transformed in dry acetonitrile via an ionic or radical pathway. Differences were observed with respect to ionic or radical transformations in aqueous media of the analogous diazonium hydrogen sulfate 1 derived from the same amine. In acetonitrile solution, the ionic pathway was characterized by an increased yield of 1,4-dimethyl- 3-phenyl-pyrazolo(3,4-c)isoquinolin-5-one 4 and by the formation of its isomer, the new derivative 7,9-dimethyldibenzo(e,g)pyrazolo(1,5-a)(1,3)diazocin-10(9H)-one 12. When the reaction followed a radical pathway, the pyrazolo(3,4-c)isoquinoline derivat…
Binary Mixtures of Ionic Liquids: A Joint Approach to Investigate their Properties and Catalytic Ability
2012
The growing interest in the properties and applications of ionic liquids has recently led to research into the possibility of using their binary mixtures. This work reports on the effects of binary mixtures of ionic liquids on the outcome of organic reactions such as the mononuclear rearrangement of heterocycles and the solvatochromic behavior of Nile Red. Binary mixtures formed by ionic liquids differing in the structure of the cation and the anion are taken into account. In particular, ionic liquids such as 1-benzyl-3- butylimidazolium bis(trifluoromethanesulfonyl)imide, 1-(2,3,4,5,6- pentafluorobenzyl)-3-butylimidazolium bis(trifluoromethanesulfonyl)imide, and 1-benzyl-3-butylimidazolium…
The role of the dual nature of ionic liquids in the reversed-phase liquid chromatographic separation of basic drugs.
2010
The cationic nature of basic drugs gives rise to broad asymmetrical chromatographic peaks with conventional C18 columns and hydro-organic mixtures, due to the ionic interaction of the positively charged solutes with the free silanol groups on the alkyl-bonded reversed-phase packing. Ionic liquids (ILs) have recently attracted some attention to reduce this undesirable silanol activity. ILs are dual modifiers (with a cationic and anionic character), which means that both cation and anion can be adsorbed on the stationary phase, giving rise to interesting interactions with the anionic free silanols and the cationic basic drugs. A comparative study of the performance of four imidazolium-based I…
Theory of birefringence and spontaneous polarization in the tetragonal phase of PbTiO3 due to lattice deformation caused by the change of temperature
1995
The microscopic mechanism of birefringence in the tetragonal phase of PbTiO3 is discussed taking account of the dipole-dipole interaction (dipole-dipole effect) due to the ionic and electronic polarizations of the crystal and the spontaneous Kerr effect as a cause of the strong local field acting on the constituent ions, where the lattice deformation due to the change of temperature is also considered. For the spontaneous polarization we use only the first effect. It is found that the birefringence and the spontaneous polarization are in good agreement with the experimental data.