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1.
A. A. Toropov V. O. Kudyshkin N. L. Voropaeva I. N. Ruban S. Sh. Rashidova 《Journal of Structural Chemistry》2004,45(6):945-950
For a series of monomers, QSPR test analysis is performed by optimizing the correlation weights of the local invariants of molecular graphs representing monomer structures in order to construct models of the reactivity parameters of monomers Q and e. This approach may be used as a tool in reactivity predictions for monomers for which no experimental data on Q and e are available.Original Russian Text Copyright © 2004 by A. A. Toropov, V. O. Kudyshkin, N. L. Voropaeva, I. N. Ruban, and S. Sh. Rashidova__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 994–998, November–December, 2004. 相似文献
2.
A. A. Toropov A. P. Toropova T. T. Ismailov N. L. Voropaeva I. N. Ruban 《Journal of Structural Chemistry》1997,38(6):965-969
It is shown that extended molecular connectivity may be used for “structure-property” studies. The statistical parameters
of the correlation relations of boiling points with extended molecular connectivity indices found for a sample of alkanes
(n = 74) are the following: the best two-parameter correlation r = 0.9948, s = 4.7; the best three-parameter correlation r
= 0.9971, s = 3.5.
Translated fromZhurnal Strukturnoi Khimii, Vol. 38, No. 6, pp. 1154–1159, November–December, 1997. 相似文献
3.
Alexander V. Ruban Jan P. Dekker Peter Horton Rienk VAN Grondelle 《Photochemistry and photobiology》1995,61(2):216-221
Abstract— Chlorophyll fluorescence spectra of LCHII, the light harvesting complex of photosystem II, have been recorded in the aggregated and trimeric forms for a range of temperatures from 293 to 4 K. At least five long-wavelength emitters in the 682–702 nm region with different temperature dependencies were found in the spectra of the aggregates. At 293 K the yield of LCHII trimers was higher than aggregates by a factor of 4, but, upon lowering the temperature, a fluorescence rise was observed which was much stronger for LCHII aggregates than for LCHII trimers, so that at 4 K their yields were comparable. The implications of these data in terms of the function of LCHII are discussed. 相似文献
4.
V. F. Ruban 《Journal of separation science》1990,13(2):112-115
The main characteristics of a dual-electrode amperometric detector with a cell of the “cylinder-in-flow” type with a working wire electrode have been investigated. The effective cell volume is 10–40 nl in a system with 0.2–0.4 mm i.d. packed fused-silica columns. Extra-column spreading at the optimum elution rate does not exceed 0.005 μl2. The linear range is 103 at a relative standard deviation of 0.009. The low noise level (2–3 pA) facilitates determination of electro-active substances. The detection limit for catecholamines is of the order of tenths of a femtomole. 相似文献
5.
Barium hexaferrite (BaFe12O19) is a promising candidate for ceramics, microwave devices and numerous applications. Barium hexaferrite was synthesised via the sol-gel auto-combustion technique using glycine fuel. The X-ray diffraction technique confirmed the hexagonal structure of the particles with space group P63/mmc. The morphological analysis was performed using the field-emission scanning microscope, and the images displayed the plate-like particle formation. Transmission electron microscopy was employed to determine the average particle size of the sample, which was estimated to be 155.93 nm. The magnetic studies were taken through the vibrating sample magnetometer (VSM) at 300 K, with which the saturation magnetization (Ms), coercivity (Hc), squareness ratio (Mr/Ms), and energy product (BHmax) was calculated, and the particles were validated to be in single domain arrangement. The dielectric properties were investigated through the LCR meter. Koop and Maxwell-Wagner's model was used to interpret charge conduction and the occurrence of relaxations in the system. 相似文献
6.
S. G. Vishnevskii A. B. Drapailo A. V. Ruban V. V. Pirozhenko S. V. Shishkina O. V. Shishkin V. I. Kal’chenko 《Russian Journal of Organic Chemistry》2014,50(4):571-580
Cone-shaped di- and tetrapropoxycalix[4]arenes functionalized at the upper rim with one or two 2-oxo(thioxo)tetrahydropyrimidine residues were synthesized by the Biginelli reaction of formylcalixarenes with urea (thiourea) and methyl acetoacetate. The steric structure of the products was studied by NMR and X-ray diffraction. The Biginelli reaction with dipropoxyformylcalixarene was diastereoselective, and it quantitatively produced the corresponding meso form. Tetrapropoxydiformylcalixarenes under analogous conditions gave rise to equimolar mixtures of racemic and meso compounds. The macrocyclic skeleton of the synthesized pyrimidine-containing calixarenes in crystal and in solution has a flattened cone conformation. (5-Methoxycarbonyl-2-oxotetrahydropyrimidin-4-yl)calixarene molecules in crystal undergo self-organization to form infinite chains via repeated inclusion of the methoxy group into the cavity of the neighboring macrocycle. Selforganization of bis(5-methoxycarbonyl-2-oxotetrahydropyrimidin-4-yl)calixarene with formation of analogous chains involves intermolecular hydrogen bonding NH ... O=C. 相似文献
7.
Non magnetic material Ca2+ as a substitute in Cobalt ferrite (Co1?xCaxFe2O4x?=?0.00, 0.05, 0.10 & 0.15) is prepared by self auto combustion method. The synthesized samples were carried out for various characterizations such as X-ray diffraction, Field emission scanning electron microscope (FE-SEM), Dielectric measurement and Magnetic property. X-ray diffraction reveals the values of crystalline size, lattice parameter and x-ray density by using the standard formula. The saturation magnetization (Ms) decreases from 63.92 to 43.17 emu/g for x?=?0.00 to 0.15 and the coercivity (Hc) increases gradually from 819.85 to 1312.32?Oe with the increase in Ca2+ concentration. The dielectric properties of synthesized nano materials were carried out at room temperature. The dielectric parameters such as tangent loss, Cole–Cole plot (Impedance, Modulus), and AC Conductivity were determined for various Ca2+ concentration. The frequency dependent dielectric dispersion behaviour of all the samples can be explained by the Maxwell–Wagner two-layer model along with Koop's phenomenological theory. As a result, Ca2+ substituted Cobalt ferrite is enhanced with their dielectric and magnetic property which is suitable for a memory device, recording media application and high frequency device. 相似文献
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