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21.
A comparative alcoholysis study of N-silylated derivatives of simple heterocyclic carboxamides (lactams, imides, ureas) is presented. The second-order rate constant values span a range as wide as three orders of magnitude. On the basis of DFT calculations, a good correlation between reactivity and the Si?O distance was found within each family of compounds. The viability of two different reaction pathways was evaluated using a detailed computational mechanistic study of the methanolysis of cyclic urea homologues. Peculiarities in the single-crystal X-ray diffraction structures of the trimethylsilyl and trimethylsiloxy phthalimides are also discussed. 相似文献
22.
Veronika Scholtyssek 《Numerical Functional Analysis & Optimization》2013,34(9-10):925-944
The inverse eigenvalue problem for symmetric matrices (IEP) is formulated as a system of two matrix equations. For solving the system a variation of Newton's method is used which has been proposed by Fusco and Zecca [Calcolo XXIII (1986), pp. 285–303] for the simultaneous computation of eigenvalues and eigenvectors of a given symmetric matrix. an iteration step of this method consists of a Newton step followed by an orthonormalization with the consequence that each iterate satisfies one of the given equations. The method converges locally y quadratically to regular solutions. The algorithm and some numerical examples are presented. In addition, it is shown that the so called Method III proposed by Friedland, Nocedal, and Overton [SIAM J. Numer. Anal.,24 (1987), pp. 634–667] for solving IEP may be constructed similarly to the method presented here 相似文献
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Ceren Kütahya Nicolai Meckbach Prof. Dr. Veronika Strehmel Prof. Dr. Jochen S. Gutmann Prof. Dr. Bernd Strehmel 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(46):10444-10451
NIR exposure at 790 nm activated photopolymerization of monomers comprising UV-absorbing moieties by using [CuII/(TPMA)]Br2 (TPMA=tris(2-pyridylmethyl)amine) in the ppm range and an alkyl bromide as initiator. Some of them comprised structural elements selected either from those showing proton transfer or photocycloaddition upon UV excitation. Polymers obtained comprise living end groups serving as macroinitiator for controlled synthesis of block copolymers with relatively narrow molecular weight distributions. Chromatographic results indicated formation of block copolymers produced by this synthetic approach. Free-radical polymerization of monomers pursued for comparison exhibited the expected broader dispersity of molecular weight compared to photo-ATRP. Polymerization of these monomers by UV photo-ATRP failed on the contrary to NIR photo-ATRP demonstrating the UV-filter function of the monomers. This work conclusively provides a new approach for the polymerization of monomers comprising UV-absorbing moieties through photo-ATRP in the NIR region. This occurred in a simple and efficient pathway. However, studies also showed that not all monomers chosen successfully proceeded in the NIR photo-ATRP protocol. 相似文献
25.
Advanced Sensing of Antibiotics with Magnetic Gold Nanocomposite: Electrochemical Detection of Chloramphenicol
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Dr. Petr Jakubec Dr. Veronika Urbanová Dr. Zdenka Medříková Prof. Dr. Radek Zbořil 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(40):14279-14284
The sensing and accurate determination of antibiotics in various environments represents a big challenge, mainly owing to their widespread use in medicine, veterinary practice, and other fields. Therefore, a new, simple electrochemical sensor for the detection of antibiotic chloramphenicol (CAP) has been developed in this work. The amplification strategy of the sensor is based on the application of magnetite nanostructures stabilized with carboxymethyl cellulose (Fe3O4‐CMC) and decorated with nanometer‐sized Au nanoparticles (NPs) (Fe3O4‐CMC@Au). In this case, CMC serves as a stabilizing agent, preventing the aggregation of Fe3O4 NPs, and hence, enabling the kinetic barrier for electron transport to be overcome, and the Au NPs serve as an electron‐conducting tunnel for better electron transport. As a proof of concept, the developed nanosensor is used for the detection of CAP in human urine samples, giving a recovery value of around 97 %, which indicates the high accuracy of the as‐prepared nanosensor. 相似文献
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Karel Kolomazník Ji?í Pecha Veronika Friebrová Dagmar Janá?ová Vladimír Va?ek 《Heat and Mass Transfer》2012,48(9):1505-1512
Biostimulators are substances able to enhance the immune system of cultivated crops and support plant metabolism. Their utilization helps to reduce the amount of chemicals used in agriculture. To perform the desired effect, a biostimulator must be able to penetrate into the plant tissue. The time of penetration however, is limited, since the biostimulator must remain in a liquid state. This is of great importance—especially in field conditions, where the treated plants are exposed to different weather condition and other extrinsic factors. A mathematical model based on diffusion mechanisms has been elaborated to describe the biostimulator transport process from penetration of the leaves into the plant’s inner tissues. By means of the effective diffusion coefficient of the prepared specific protein hydrolyzate, this model can be used to estimate the time necessary for the uptake of the minimal active amount of the biostimulator. 相似文献
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Dr. Markus Lampimäki Dr. Veronika Zelenay Dr. Adéla Křepelová Dr. Zhi Liu Rui Chang Dr. Hendrik Bluhm Dr. Markus Ammann 《Chemphyschem》2013,14(11):2419-2425
Ozone adsorption and decomposition on metal oxides is of wide interest in technology and in atmospheric chemistry. Here, ozone‐adsorption‐induced band bending is observed on Ti‐ and Fe‐oxide model surfaces under dry and humid conditions. Photoelectron spectroscopic studies indicate the effect of charge transfer to O3, which limits the surface coverage of the precursor to decomposition reactions. This is also consistent with the negative pressure dependence observed in previous studies. These results contribute to our fundamental understanding of ozone adsorption and decomposition mechanisms on metal oxides of environmental and technological relevance. 相似文献
30.
Alice Merca Jürgen Schnack Joris van Slageren Thorsten Glaser Hartmut Bögge Veronika Hoeke Mechtild Läge Achim Müller Bernt Krebs 《Journal of Cluster Science》2013,24(4):979-988
The gadolinium (Gd) member of a new type of heteropolytungstates that contain one lanthanide and two transition metal ions in a triangular arrangement is reported. The compound NaK6Gd0.33 [((VO)2Gd(H2O)4K2(H2O)2(Na)(H2O)2)(α-B-AsW9O33)2]·24H2O (1) was prepared from acidified aqueous solutions of Na2WO4·2H2O, As2O3 and VOSO4·5H2O to which Gd3+ ions were added. The single crystal X-ray structure analysis (monoclinic, space group P21/m) shows that the anion consists of two [α-B-AsIIIW9O33]9? trilacunary Keggin-type units linked by two VO2+, one Gd3+ as well as weakly by two K+ and one Na+ ions, resulting in a sandwich-type structure with idealized C 2v symmetry. The problem of positioning crystal lattice and special polyoxometalate sites with different cations is discussed also in connection with supramolecular chemistry aspects and as an option for further research. A fit of the magnetic susceptibility yielded exchange coupling constants of J VV = ?2.55 cm?1 (anti-ferromagnetic) between the vanadium ions and J GdV = 0.6 cm?1 (ferromagnetic) between the Gd and each of the two vanadium ions. The complete magnetochemical analysis also revealed a partial occupancy of the Na+ sites in the counter-cation–water system by Gd3+ ions (0.33 Gd3+ ions in total). 相似文献