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141.
FT-IR (Fourier-transform infrared) spectroscopy and density function theory (DFT) methods have been applied to the investigation of the interaction of NO and N2O with Fe3+ species in a beta zeolite (BEA). The geometries for H-BEA and Fe-BEA represented as 10T cluster, and NO and N2O adsorption on them in η1-O and η1-N modes have been completely optimized. The results show that NOx could be adsorbed on Fe3+ species and Brønsted acid sites in two modes, but NOx is mainly bonded by N to H or Fe atom and the iron site is preferred. NOx adsorbed on Fe3+ species is more stable than on Brønsted acid sites. Adsorption energies for N2O and NO follow the order of NO > N2O, predicating that the affinity of NO molecule on BEA zeolite is much stronger than N2O molecule on BEA zeolite. 相似文献
142.
de Carvalho MG do Rocha Gomes MS Fernandes Pereira AH de Souza Daniel JF Schripsema J 《Magnetic resonance in chemistry : MRC》2006,44(1):35-37
The (1)H and (13)C NMR spectra of 5-acetyl-7,4'-dimethoxyflavone-(6-8')-5'-acetyl-7',4'-dimethoxyflavone, a new agathisflavone derivative, were completely assigned on the basis of 1D and 2D NMR techniques. 相似文献
143.
The polysaccharides associated with free (planktonic) and surface-attached (biofilm) cells from cultures of Pseudomonas fluorescens strain B52 were compared. Variations in the attached matrix due to surface material (glass or stainless steel) were also analyzed. Two digestion methods were used to optimize the recoveries of sugars, uronic acids and acidic substituents. The yield of analyzable material after digestion reached 90% for the material associated to the biofilms, though only 20–30% for that bound to planktonic cells. The polysaccharide(s) in the biofilm had glucuronic and guluronic acids as main components, besides rhamnose, glucose and glucosamine. The proportion of glucuronic to guluronic acid was higher in the polysaccharide(s) found in biofilms formed on stainless steel than in those on glass. 相似文献
144.
Juliana Coelho 《Journal of Pure and Applied Algebra》2010,214(8):1319-1333
Recently, the first Abel map for a stable curve of genus g≥2 has been constructed. Fix an integer d≥1 and let C be a stable curve of compact type of genus g≥2. We construct two d-th Abel maps for C, having different targets, and we compare the fibers of the two maps. As an application, we get a characterization of hyperelliptic stable curves of compact type with two components via the second Abel map. 相似文献
145.
In this paper, the large time decay of the magneto-micropolar fluid equations on \(\mathbb {R}^n\) (\( n=2,3\)) is studied. We show, for Leray global solutions, that \( \Vert ({\varvec{u}},{\varvec{w}},{\varvec{b}})(\cdot ,t) \Vert _{{L^2(\mathbb {R}^n)}} \rightarrow 0 \) as \(t \rightarrow \infty \) with arbitrary initial data in \( L^2(\mathbb {R}^n)\). When the vortex viscosity is present, we obtain a (faster) decay for the micro-rotational field: \( \Vert {\varvec{w}}(\cdot ,t) \Vert _{{L^2(\mathbb {R}^n)}} = o(t^{-1/2})\). Some related results are also included. 相似文献
146.
Juliana Bueno-Soler 《Logica Universalis》2010,4(1):137-160
In this paper we extend the anodic systems introduced in Bueno-Soler (J Appl Non Class Logics 19(3):291–310, 2009) by adding certain paraconsistent axioms based on
the so called logics of formal inconsistency, introduced in Carnielli et al. (Handbook of philosophical logic, Springer, Amsterdam, 2007), and define the classes of systems
that we call cathodic. These classes consist of modal paraconsistent systems, an approach which permits us to treat with certain kinds of conflicting
situations. Our interest in this paper is to show that such systems can be semantically characterized in two different ways:
by Kripke-style semantics and by modal possible-translations semantics. Such results are inspired in some universal constructions in logic, in the sense that cathodic systems can be seen as a
kind of fusion (a particular case of fibring) between modal logics and non-modal logics, as discussed in Carnielli et al.
(Analysis and synthesis of logics, Springer, Amsterdam, 2007). The outcome is inherently within the spirit of universal logic,
as our systems semantically intermingles modal logics, paraconsistent logics and many-valued logics, defining new blends of
logics whose relevance we intend to show. 相似文献
147.
A heuristic algorithm for the one-dimensional cutting stock problem with usable leftover (residual length) is presented. The algorithm consists of two procedures. The first is a linear programming procedure that fulfills the major portion of the item demand. The second is a sequential heuristic procedure that fulfills the remaining portion of the item demand. The algorithm can balance the cost of the consumed bars, the profit from leftovers and the profit from shorter stocks reduction. The computational results show that the algorithm performs better than a recently published algorithm. 相似文献
148.
149.
Diogo P. Moraes Juliana S. F. Pereira Liange O. Diehl Márcia F. Mesko Valderi L. Dressler José Neri G. Paniz Guenter Knapp Érico M. M. Flores 《Analytical and bioanalytical chemistry》2010,397(2):563-570
In this work, three sample preparation methods were evaluated for further halogen determination in elastomers containing high
concentrations of carbon black. Samples of nitrile-butadiene rubber, styrene-butadiene rubber, and ethylene-propylene-diene
monomer elastomers were decomposed using oxygen flask combustion and microwave-induced combustion (MIC) for further Br and
Cl determination by ion chromatography (IC), inductively coupled plasma optical emission spectrometry (ICP OES), and inductively
coupled plasma mass spectrometry (ICP-MS). Extraction assisted by microwave radiation in closed vessels was also evaluated
using water or alkaline solution. Digestion by MIC was carried out using 50 mmol l−1 (NH4)2CO3 as the absorbing solution. The effect of the reflux step was also evaluated. Accuracy was evaluated using certified reference
materials with polymeric matrix composition and by comparison of results using neutron activation analysis. Agreement for
Br and Cl was better than 95% by MIC using 5 min of reflux, and no statistical difference was found using IC, ICP OES, and
ICP-MS for determination of both analytes. For MIC, the relative standard deviation (RSD) was lower than 5%. Using extraction
in closed vessels, a high amount of residues was observed, and recoveries were lower than 45% for both analytes. For oxygen
flask combustion, the agreement was similar using MIC but RSD was higher (20%). The residual carbon content, an important
parameter used to evaluate the digestion efficiency, was always below 1% for MIC. Using MIC, it was possible to digest elastomers
with high efficiency, resulting in a single solution suitable for halogen determination by different techniques. 相似文献
150.
Pierdominici-Sottile G Echave J Palma J 《The journal of physical chemistry. B》2006,110(23):11592-11599
We have obtained AMBER94 force-field parameters for the TTQ cofactor of the enzyme methylamine dehydrogenase (MADH). This enzyme catalyzes the oxidation of methylamine to produce formaldehyde and ammonia. In the rate-determining step of the catalyzed reaction, a proton is transferred from the methyl group of the substrate to residue Asp76. We used the new parameters to perform molecular dynamics simulations of MADH in order to characterize the dynamics of the active site prior to the proton-transfer step. We found that only one of the oxygen atoms of Asp76 can act as an acceptor of the proton. The other oxygen interacts with Thr122 via a strong hydrogen bond. In contrast, because of the rotation the methyl group of the substrate, the three methyl hydrogen atoms are alternately in position to be transferred. The distance that the proton has to travel presents a broad distribution with a peak between 1.0 and 1.1 A and reaches values as short as 0.8 A. The fluctuation of the distance between the donor and the acceptor has the largest frequency component at 50 cm(-1), but the spectrum presents a rich structure between 10 and 400 cm(-1). The more important peaks appear below 250 cm(-1). 相似文献