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1.
Teresa uczak Radosaw Pankiewicz Bogusawa ska Grzegorz Schroeder Maria Betowska-Brzezinska Bogumil Brzezinski 《Journal of Molecular Structure》2006,800(1-3):140-145
Novel self-assembled monolayers were obtained on silver using 4,7-diazaheptyl-trimethoxy-silane (SiN) and vinyl-trialkoxy-silane (SiVA, where the alkyl group is 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-eicozaoxa- hexaheptaconan). It was shown that thus modified metal surface was protected against electrooxidation. A densely packed monolayer remained stable and did not desorb from the Ag electrode on the potential cycling. The structure of SiN and SiVA as well as their complexes with Li+ cations were calculated and visualised by the AM1d and PM5 semi-empirical methods. 相似文献
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C. Sun M.D. Thouless A.M. Waas J.A. Schroeder P.D. Zavattieri 《International Journal of Solids and Structures》2008,45(17):4725-4738
To enable the effective and reliable use of structural adhesive bonding in automotive applications, the cohesive properties of a joint need to be determined over a wide range of loading rates. In this paper, a strategy for determining these properties has been described and used to analyze a set of experimental results presented in a companion paper. In the particular system studied, a crack growing in a toughened quasi-static mode could make a catastrophic transition to a brittle mode of fracture. The cohesive parameters for both the toughened and brittle modes of crack growth were determined by comparing numerical predictions from cohesive-zone simulations to the results of experimental tests performed using double-cantilever beam specimens and tensile tests. The cohesive parameters were found to be essentially rate-independent for the toughened mode, but the toughness dropped by a factor of four upon a transition to the brittle mode. The results of wedge tests were used as an independent verification of the cohesive parameters, and to verify that the quasi-static properties remained rate-independent to very high crack velocities corresponding to conditions of low-velocity impact. The effects of friction, and the use of the wedge test to determine cohesive parameters, were also explored. 相似文献
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Udo Feldkamp Ron Wacker Hendrik Schroeder Wolfgang Banzhaf Christof M Niemeyer 《Chemphyschem》2004,5(3):367-372
We report on the microarray-based in vitro evaluation of two libraries of DNA oligonucleotide sequences, designed in silico for applications in supramolecular self-assembly, such as DNA computing and DNA-based nanosciences. In this first study which is devoted to the comparison of sequence motif properties theoretically predicted with their performance in real-life, the DNA-directed immobilization (DDI) of proteins was used as an example of DNA-based self-assembly. Since DDI technologies, DNA computing, and DNA nanoconstruction essentially depend on similar prereguisites, in particular, large and uniform hybridization efficiencies combined with low nonspecific cross-reactivity between individual sequences, we anticipate that the microarray approach demonstrated here will enable rapid evaluation of other DNA sequence libraries. 相似文献
7.
Grzegorz Wojciechowski Grzegorz Schroeder Vladimir Rybachenko Bogumil Brzezinski 《Journal of Molecular Structure》2002,610(1-3):81-84
The heats of reactions between various phenols and two strong N-bases of guanidine-like character in acetonitrile, are determined. The values can be used as a measure of self-assembly abilities of the phenol molecules in the interactions with strong N-bases, playing a very important role in biological systems. In the case of TBD complexes with corresponding nitrophenols, the protonated N-base is hydrogen-bonded to the nitro group excluding the self-assembly process of the phenols. In the case of other phenols, the self-assembly abilities are dependent on pKa values of phenols. With increasing acidity of phenols their ability to form the hydrogen-bonded chains decreases. The maximum of length of the chains is observed for 4-methylphenol, which has a similar pKa value to that in the tyrosine residue in biological systems. 相似文献
8.
Rybachenko V. I. Schroeder G. Chotii K. Yu. Lenska B. Kovalenko V. V. Red'ko A. N. 《Theoretical and Experimental Chemistry》2003,39(6):359-363
We have studied the rate of 15 reactions of acyl transfer from O-acyl salts of 4-dimethylaminostyryl-4-pyridine N-oxide to 4-morpholinopyridine and 4-dimethylaminopyridine N-oxides in acetonitrile solutions. Analysis of the results based on the Shaik – Pross approach and the Marcus equation shows that if the structure of the acyl group is varied, then the reactivity is determined by such parameters as the resonance interaction in the transition state (B) or the internal barrier (G
0) of the reaction. 相似文献
9.
The Cr(CO)3(CH3CN)3 complex is found to catalyze the 1,4-addition of hydrogen to 1,3-dienes such as 2-methyl-1,3-butadiene, trans-1,3-pentadiene, and trans, trans-2,4-hexadiene at low temperature (40°) and low H2 pressure (20 psi). For trans, trans-2,4-hexadiene the only product obtained when D2 is used is 2,5-dideuterio-cis-3-hexene. The catalytic 1,4-hydrogenation can be carried out in neat dienes, and turnover numbers for the catalyst of greater than 3000 have been observed. 相似文献
10.
Grohmann K. Mitchell D. J. Himmel M. E. Dale B. E. Schroeder H. A. 《Applied biochemistry and biotechnology》1989,(1):45-61
Xylan backbones in native plant cell walls are extensively acety-lated. Previously, no direct investigations as to their role
in cellulolytic enzyme resistance have been done, though indirect results point to their importance. An in vitro deesterification
of aspen wood and wheat straw has been completed using hydroxylamine solutions. Yields of 90% acetyl ester removal for both
materials have been accomplished, with little disruption of other fractions (i.e., lignin). Apparently, as the xylan becomes
increasingly deacetylated, it becomes 5–7 times more digestible. This renders the cellulose fraction more accessible, and
2–3 times more digestible. This effect levels off near an acetyl removal of 75%, where other resistances become limiting. 相似文献