The effect of the potential cycles on the reflective IR signals of nitro‐groups in nanofilms was studied for the statistical characterization of nitrobenzene (NB) and nitroazobenzene (NAB)‐modified glassy carbon (GC) surfaces. Both NB and NAB nanofilms were obtained by the electrochemical reduction of the diazonium tetrafluoroborate salts in acetonitrile using cyclic voltammetry (CV). The modified surfaces were denoted as GC‐(NB)n and GC‐(NAB)n, respectively, where n indicates the number of CV cycles performed during modification. Reflective IR signals of the normalized NB and NAB nanofilms and GC were used for the quantitative evaluation of the effect of the potential cycles on the reflective IR signals of nitro‐groups in nanofilms. The detection and quantitative ‘reading’ of the influence of number of CV cycles were realized in the frame of a new error controllable approach that was applied for analysis of all available set of data. This approach includes in itself the following basic steps: (a) the procedure of the division (normalization) on the GC spectra, (b) the comparison of the smoothed spectra for their statistical proximity in the frame of the statistics of the fractional moments, (c) extraction of possible calibration parameters for possible calibration of the normalized spectra with respect to the number of CV cycles. These three basic steps are becoming effective for detection of the influence of some external factors. In our case it is important to detect the influence of the factor n characterizing CV cycles. 相似文献
The Imidazole compound, Ethyl N′-3-(1H-imidazol-1-yl) propylcarbamoyl benzohydrazonate monohydrate, has been synthesized and
characterized by IR, NMR, electronic spectroscopy, and X-ray single-crystal determination. Molecular geometry from X-ray experiment
of the title compound in the ground state has been compared using the density functional method (B3LYP) with 6-31G+(d) basis
set. To determine conformational flexibility, molecular energy profile of the title compound was obtained by DFT calculations
with respect to two selected degrees of torsional freedom, which were varied from −180° to +180° in steps of 10°. Besides,
molecular electrostatic potential (MEP), natural bond orbitals (NBO), frontier molecular orbitals (FMO), and thermodynamic
properties were performed at B3LYP/6-31G+(d) level of theory. 相似文献
Surface treatment procedures such as grinding and polishing are needed to provide the ceramic dental restorative materials with proper fitting and occlusion. The treated surfaces are customarily glazed to improve the strength and smoothness. Though smoothness and wetting of the dental surfaces are important to minimize bacterial plaque retention, influence of the surface treatment and glazing procedures on the final surface roughness and its correlation to wettability are overlooked.
In this work, effect of various treatment (diamond fraising, stoning, sanding and aluminum oxide and rubber polishing) and glazing (auto and overglazing) techniques on the final roughness and the resulting wettability of dental ceramic surfaces were investigated using scanning electron microscopy (SEM) observations and atomic force microscopy (AFM) scans, 75 scans per sample. The surfaces were characterized and assigned an average roughness measure, Ra. The wettability of the same surfaces was evaluated using micro-contact angle measurements (25 micro-bubbles placed on a grid on each surface) to correlate the final surface roughness and wettability.
The results show that overglazing prevails over surface irregularities from different treatment procedures and provides homegeneously smooth surfaces with mean Ra < 10 nm. It also produces uniformly wetted surfaces with low contact angles around 20°. The autoglazed surfaces are less smooth (mean Ra around 50 nm) and displays sporadic topographic irregularities. They display larger and less uniform contact angles ranging between 35° and 50°. The results suggest that overglazing should be preferred after surface treatment to obtain a smooth and well-wetted dental ceramic surface. 相似文献
In this paper, we show that nonempty closed convex subsets of a metric tree enjoy many properties shared by convex subsets of Hilbert spaces and admissible subsets of hyperconvex spaces. Furthermore, we prove that a set-valued mapping of a metric tree with convex values has a selection for which for each . Here by we mean the Hausdroff distance. Many applications of this result are given.
Let be the classical Wiener space. Assume that is an adapted perturbation of identity, i.e., is adapted to the canonical filtration of W. We give some sufficient analytic conditions on u which imply the invertibility of the map U. To cite this article: A.S. Üstünel, M. Zakai, C. R. Acad. Sci. Paris, Ser. I 342 (2006).相似文献
Recently, the notion of an S-metric space is defined and extensively studied as a generalization of a metric space. In this paper, we define the notion of the S∞-space and prove its completeness. We obtain a new generalization of the classical "Picard Theorem". 相似文献
The review addresses the influence of polyelectrolytes on the statics and dynamics of thin liquid films. Both, changes of interfacial and bulk properties, contribute to the overall behaviour of thin films formed from aqueous polyelectrolyte solutions. Therefore, the chapter is separated into two parts: polyelectrolytes at film interfaces and polymers in film bulk. 相似文献
Ab initio CI potential energy (PES) and dipole moment (DMS) surfaces have been calculated with singles and doubles excitation configuration interaction (SDCI) for the 2-dimensional isolated sp2 CH chromophore subspace of trideuteroacetaldehyde (CD3CHO). Different extrapolation schemes to full-CI have been applied after the extrapolation to full-SDCI. Vibrational band centres and absolute intensities are determined variationally on six extrapolated surfaces. The band centres are analysed within the effective Hamiltonian model for isolated CH chromophores and the effective spectroscopic parameters are compared for the different extrapolation schemes. Time dependent population evolution for vibrational quantum motion with a pure CH stretching state being initially populated is calculated for some of the extrapolated surfaces within the effective Hamiltonian model. 相似文献