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981.
The hybridization in several cyclic polyacetylene compounds has been calculated by the maximum overlap method, assuming planar and non-planar geometries of the molecules. In the planar configuration the hybrids describing the molecular skeleton deviate from the corresponding bond directions. We have a few “bent” bonds, but in contrast to the situation in small rings, here the deviation angles are negative, i.e., the hybrids point toward the inside of the ring. Non-planar structures in which acetylene groups are kept in a plane and CCH2 or CH2 groups are displaced out of the plane show less deviation from the bond directions of bent bonds. Furthermore, the deviation angles decrease with an increase in the out-of-plane displacement of methylene groups. Finally, when the angle of bending of the molecules approaches 50°, the deviation vanishes, predicting a puckered conformation for the molecules. Correlation between CC stretching vibration frequencies and the corresponding CC bond overlap is discussed. 相似文献
982.
Zusammenfassung Es wurde eine chromatographische Methode zur Auftrennung und Identifizierung der Polyäthylenglykole und ihrer Monoäther nach Über-führung in die Ester der 3,5-Dinitrobenzoesäure ausgearbeitet. Es wurden entweder Lösungsmittelsysteme mit Dimethylformamid oder Formamid als stationäre und Hexan, Cyklohexan, Benzol, Chloroform und ihre Gemische als mobile Phase oder mit Paraffinöl imprägnierte Papiere und das Gemisch Dimethylformamid—Methylalkohol—Wasser als mobile Phase angewendet.
Herrn Dipl.-Ing.J. Kami aus unserem Institut danken wir für die Darstellung und Reinigung einiger angewandter Verbindungen. 相似文献
Summary A Chromatographic method has been developed for the separation and identification of the polyethylene glycols and their mono-ethers after conversion into the esters of 3,5-dinitrobenzoic acid. The solvent systems employed consisted of dimethylformamide or formamide as stationary phase and hexane, cyclohexane, benzene, chloroform and their mixtures as mobile phase, or papers impregnated with paraffin oil and the mixture of dimethyl-formamide-methyl alcohol were used as the mobile phase.
Résumé On a élaboré une méthode chromatographique de séparation et d'identification des polyéthylèneglycols et de leurs monoéthers après leur transformation en ester de l'acide dinitro-3,5 benzoïque. On a employé soit les systèmes de solvants avec le diméthylformamide ou le formamide comme phase stationnaire, et l'hexane, le cyclohexane, le benzène, le chloroforme et leurs mélanges comme phase mobile, ou des papiers imprégnés d'huile de paraffine et le mélange diméthylformamide-alcool méthylique-eau comme phase mobile.
Herrn Dipl.-Ing.J. Kami aus unserem Institut danken wir für die Darstellung und Reinigung einiger angewandter Verbindungen. 相似文献
983.
Syntheses and spectral characteristics of cadmium(II) compounds (CdSeO4, CdSeO3, and Cd(NCSe)2(nia)2) containing selenium in oxidation states (VI), (IV), and (-II) are described. In Cd(NCSe)2(nia)2, nicotinamide (nia) and selenocyanate anions are bonded to Cd atom as N-donor monodentate ligands. Nicotinamide is coordinated
through the ring nitrogen atom. The effects of these selenium compounds as well as Cd(NCS)2(nia)2 on the growth and Cd accumulation in roots and shoots of hydroponically cultivated chamomile plants (cultivar Lutea) were studied. In the applied concentration range (12–60 μmol dm−3) Cd(NCS)2(nia)2 affected neither the length nor the dry mass of roots and shoots. Other compounds applied at 24 μmol dm−3 and 60 μmol dm−3 significantly reduced dry mass of roots and shoots. Selenium oxidation state in the cadmium compounds affected Cd accumulation
in plant organs as well as Cd translocation within the plants, which was reflected in the values of bioaccumulation (BAF)
and translocation factors (S/R). Cd amount accumulated by shoots was lower than that in the roots. The highest BAF values
determined for Cd accumulation in shoots were obtained with CdSeO4. Substitution of S with Se in the Cd(NCX)2(nia)2 (X = Se or S) caused an increase of Cd translocation into the shoots.
Presented at the XVIIIth Slovak Spectroscopic Conference, Spišská Nová Ves, 15–18 October 2006. 相似文献
984.
985.
Majid M. Heravi Khadijeh Bakhtiari Negar M. Javadi Hossein A. Oskooie Fatemeh F. Bamoharram 《Monatshefte für Chemie / Chemical Monthly》2007,138(5):445-447
Summary. Acetylation of various alcohols and benzyl amine was tested in the presence of H6[PMo9V3O40], a mixed addenda heteropolyacid, in ethyl acetate under reflux condition. Phenols and anilines are not affected under the
reaction conditions. Selective transestrification of alcohols can be achieved in the presence of phenol and aniline derivatives
using this method. 相似文献
986.
Kai‐lu Yu Chang‐jun Liu Yue‐ping Zhang Fei He Xin‐li Zhu Baldur Eliasson 《Plasma Chemistry and Plasma Processing》2004,24(3):393-403
PdO/Al2O3 catalysts prepared by glow discharge plasma treatment followed by thermal calcination show a much higher dispersion and a better catalytic activity for methane combustion at relatively low temperatures. The dispersion of palladium active species by such plasma prepared catalysts is 29.7%, 5.4 times higher than that of conventional catalysts. XPS analysis indicates that a surface enrichment of Pd active species (PdO) has been achieved after plasma treatment. The surface atomic composition of PdO of plasma prepared catalysts reaches 10.5%. XRD characterization also confirms a wellcrystallized PdO phase present on the plasma prepared catalyst. The lightoff temperature of the plasma prepared catalyst is 370°C, 50°C lower than that obtained from the conventional catalyst. 相似文献
987.
František Kvasnička Jaroslav Dobiáš Kamila Klaudisová-Chudáčková 《Central European Journal of Chemistry》2003,1(1):91-97
A simple, rapid and reproducible capillary isotachophoretic on-line coupled with capillary zone electrophoresis (CITP-CZE)
method for the determination of IMz in food packaging extracts and its residues in apples is described. A good separation
of the IMZ from other sample constituents was achieved within 15 minutes without any sample clean up. Method characteristics
(linearity, accuracy, intra-assay and detection limit) were determined. Less amount of time involved, sufficient sensitivity
and low running cost are the important attributes of CITP-CZE method. 相似文献
988.
Nataša Pejić Slobodan Anić Vesna Kuntić Vladana Vukojević Ljiljana Kolar-Anić 《Mikrochimica acta》2003,143(4):261-267
A kinetic method is described for the microquantitative (microconcentration/microvolume) determination of rutin based on potentiometric monitoring of the concentration perturbations of the Bray-Liebhafsky (BL) oscillatory reaction being in a non-equilibrium stationary state close to a bifurcation point. The experiments are carried out in an open reactor. The response of the matrix system to perturbations by different concentrations of rutin ethanolic solutions is followed by a Pt-electrode. In the concentration range between 7.8×10–8moldm–3 and 9.1×10–6mol dm–3, we found a linear dependence of the maximal potential shift, Em, on the logarithm of the rutin concentrations. The unknown concentrations can be determined from the calibration curve up to an accuracy of ±5%. The detection limit is 3.6×10–8mol dm–3. The amount of required sample can be as small as 10µL. 相似文献
989.
Bertosa B Kojić-Prodić B Wade RC Ramek M Piperaki S Tsantili-Kakoulidou A Tomić S 《Journal of chemical information and computer sciences》2003,43(5):1532-1541
The activity of a biological compound is dependent both on specific binding to a target receptor and its ADME (Absorption, Distribution, Metabolism, Excretion) properties. A challenge to predict biological activity is to consider both contributions simultaneously in deriving quantitative models. We present a novel approach to derive QSAR models combining similarity analysis of molecular interaction fields (MIFs) with prediction of logP and/or logD. This new classification method is applied to a set of about 100 compounds related to the auxin plant hormone. The classification based on similarity of their interaction fields is more successful for the indole than the phenoxy compounds. The classification of the phenoxy compounds is however improved by taking into account the influence of the logP and/or the logD values on biological activity. With the new combined method, the majority (8 out of 10) of the previously misclassified derivatives of phenoxy acetic acid are classified in accord with their bioassays. The recently determined crystal structure of the auxin-binding protein 1 (ABP1) enabled validation of our approach. The results of docking a few auxin related compounds with different biological activity to ABP1 correlate well with the classification based on similarity of MIFs only. Biological activity is, however, better predicted by a combined similarity of MIFs + logP/logD approach. 相似文献
990.
Hiléia K. S. Souza V. R. da Silveira F. M. M. Borges Dulce M. A. Melo H. Scatena Jr. O. A. de Oliveira A. G. Souza 《Journal of Thermal Analysis and Calorimetry》2007,87(2):433-436
Thermal behavior of rare earth nitrate complexes
with 2-azacyclononanone (AZA) with Ln(NO3)3·3(AZA)
composition (where Ln=Gd, Er and Ho) was
analyzed in kinetic point of view. Kinetic parameters were calculated from
thermogravimetric data. All obtained results were similar. The first decomposition
step was representative to the loss of ligand and the residue was essentially
Ln2O3. Furthermore, a reaction
path was proposed for the thermal decomposition of the Ln(NO3)3·3(AZA). 相似文献