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991.
[structure: see text] We report an initial step toward the development of sulfonamide-based complements for extended peptide strands. A molecule containing one secondary sulfonamide unit and one valine residue linked by a turn-forming segment was found by IR and NMR to exhibit a doubly hydrogen-bonded folding pattern in chloroform. 相似文献
992.
The Crank–Nicolson (CN) simulation method has an oscillatory response to sharp initial transients. The technique is convenient but the oscillations make it less popular. Several ways of damping the oscillations in two types of electrochemical computations are investigated. For a simple one-dimensional system with an initial singularity, subdivision of the first time interval into a number of equal subintervals (the Pearson method) works rather well, and so does division with exponentially increasing subintervals, where however an optimum expansion parameter must be found. This method can be computationally more expensive with some systems. The simple device of starting with one backward implicit (BI, or Laasonen) step does damp the oscillations, but not always sufficiently. For electrochemical microdisk simulations which are two-dimensional in space and using CN, the use of a first BI step is much more effective and is recommended. Division into subintervals is also effective, and again, both the Pearson method and exponentially increasing subintervals methods are effective here. Exponentially increasing subintervals are often considerably more expensive computationally. Expanding intervals over the whole simulation period, although capable of satisfactory results, for most systems will require more cpu time compared with subdivision of the first interval only. 相似文献
993.
994.
Bistable ferroelectric liquid crystal photoswitch triggered by a dithienylethene dopant 总被引:1,自引:0,他引:1
The spontaneous polarization (PS) of a ferroelectric liquid crystal is modulated reversibly by photocyclization of the dopant 1,2-bis[5'-(4' '-heptyloxyphenyl)-2'-methylthien-3'-yl]perfluorocyclopentene. The magnitude of PS photomodulation increases with dopant concentration up to 3 mol %, and the resulting photoswitch is fatigue resistant and bistable. To the best of our knowledge, this is the first example of a bistable ferroelectric liquid crystal photoswitch to be reported in the literature. 相似文献
995.
L. D. Asnin A. A. Fedorov Yu. S. Chekryshkin 《Russian Journal of Applied Chemistry》2007,80(2):263-267
Frontal chromatography was used to study the adsorption dynamics and adsorption equilibrium of chlorobenzene on a 5% V2O5/Al2O3 catalyst at temperatures of 50 and 100°C. The mixed-diffusion model was employed to describe the elution curve and evaluate the effective coefficients of external mass exchange and diffusion within transport pores. 相似文献
996.
Jiang J Renshaw JC Sarsfield MJ Livens FR Collison D Charnock JM Eccles H 《Inorganic chemistry》2003,42(4):1233-1240
The solution chemistry of uranyl ion with iminodiacetate (IDA) and oxydiacetate (ODA) was investigated using NMR and EXAFS spectroscopies, potentiometry, and calorimetry. From the NMR and EXAFS data and depending on stoichiometry and pH, three types of metal:ligand complex were identified in solution in the pH range 3-7: 1:1 and 1:2 monomers; a 2:2 dimer. From NMR and EXAFS data for the IDA system and previous studies, we propose the three complex types are [UO(2)(IDA)(H(2)O)(2)], [UO(2)(IDA)(2)](2)(-), and [(UO(2))(2)(IDA)(2)(mu-OH)(2)](2)(-). From EXAFS spectroscopy, similar 1:1, 2:2, and 1:2 complexes are found for the ODA system, although (13)C NMR spectroscopy was not a useful probe in this system. For the 1:1 and 1:2 complexes in solution, EXAFS spectroscopy is ambiguous because the data can be fitted with either a long U-N/O(ether) value (ca. 2.9 A) suggesting 1,7-coordination of the ligand or a U-C interaction at a similar distance, consistent with terminal bidentate coordination. However, the NMR data of the IDA system suggest that 1,7-coordination is the more likely. The stability constants of the three complexes were determined by potentiometric titrations; the log beta values are 9.90 +/-, 16.42 +/-, and 10.80 +/- for the 1:1, 1:2, and 2:2 uranyl-IDA complexes, respectively, and 5.77 +/-, 7.84 +/-, and 4.29 +/- for the 1:1, 1:2, and 2:2 uranyl-ODA complexes, respectively. The thermodynamic constants for the complexes were calculated from calorimetric titrations; the enthalpy changes (kJ mol(-)(1)) and entropy changes (J K(-)(1) mol(-)(1)) of complexation for the 1:1, 1:2, and 2:2 complexes respectively are the following. IDA: 12 +/- 2, 230 +/- 8; 8 +/- 2, 151 +/- 9; -33 +/- 3, -283 +/- 11. ODA: 26 +/- 2, 198 +/- 12; 20 +/- 2, 106 +/- 8; -24 +/- 2; -219 +/- 8. 相似文献
997.
S. B. Dampare D. K. Asiedu S. Osae B. J. B. Nyarko B. Banoeng-Yakubo 《Journal of Radioanalytical and Nuclear Chemistry》2005,265(1):101-106
Summary Rare earth element (REE) analysis using instrumental neutron activation (INAA) was carried out on ultramafic rocks from the Akwatia District of the Birim diamondiferous field, Ghana, with the primary objective of investigating their kimberlitic characteristics. The total REE concentrations range from 113 to 1610 ppm and fall within the interval of those reported in the literature for kimberlites. Despite the marked difference in the REE contents, all the analyzed samples show similar REE patterns that resemble those of kimberlites. However, compared to most of the kimberlites, the ultramafic rocks have small negative Eu anomalies and low light-REE/heavy-REE ratios, suggesting that the rocks have been significantly assimilated by crustal rocks. 相似文献
998.
B. A. Zaitsev G. I. Khromova I. D. Shvabskaya 《Russian Journal of Applied Chemistry》2007,80(4):623-628
Cationic mechanism of transformation of unsaturated aromatic monomers contained in Rolivsans into thermosetting aromatic oligoethers with increased molecular weight was analyzed. The composition and chemical structure of Rolivsans as influenced by catalytic systems with various donor-acceptor properties were studied. 相似文献
999.
The selectivity of the oxides under consideration to the oxidation of methanol to formaldehyde is shown to increase in the sequence V2O5–Nb2O5–Ta2O5. The same sequence corresponds to the decrease in specific activity. The activation energy of the reaction is 12 kcal/mol for V2O5, 14 kcal/mol for Nb2O5 and 22 kcal/mol for Ta2O5.
, V2O5–Nb2O5–Ta2O5. . : V2O5 12 /, Nb2O5 14 / Ta2O5 22 /.相似文献
1000.
J. T. Glass J. F. McCann D. S. F. Crothers 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1996,36(2):119-124
Starting with the impulse approximation, we analyse second-order effects in relativistic electron capture. The relation of this model with relativistic distorted-wave approximations is clarified. In particular it is shown that the second-order spin-coupling terms in the RCDW theory are consistent with the correct form given by perturbation theory. In the semirelativistic limit, the RCDW results are shown to accord with the formulae of Moiseiwitsch for flip and nonflip transitions in the ultra-relativistic limit. This confirms that the continuum-distorted-wave model generalises to relativistic spinors, and highlights the defects of scalar models. We also present a new symmetric eikonal theory which gives reliable results for capture without change of spin, but leads to a divergent total cross section for spin-flip transitions in the second-order term. This effect, which is quite distinct from the spurious spin-flip amplitudes of the scalar symmetric eikonal theory, is taken as further evidence that the eikonal approximation is not valid for magnetic transitions. 相似文献