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101.
Agnieszka Chojnacka Marcin Molenda Dorota Majda Piotr Natkański Roman Dziembaj 《Journal of Thermal Analysis and Calorimetry》2017,127(1):47-53
Electrode materials consisted of tin nanograins encapsulated in different origin carbon buffer matrix (starch or water soluble polymer) were obtained in a simple and inexpensive process. The tin precursor was synthesized using modified reverse nanoemulsion technique (w/o) and then coated by a source of carbon. The composites precursors were pyrolysed, affording formation of C/Sn anode materials. The resulting samples were investigated by powder X-ray diffraction studies in order to verify the structure and calculate crystallites sizes. The morphology of the nanocomposites was characterized by low-temperature nitrogen adsorption method (N2-BET). Thermal analysis measurements (EGA-TG/DTG/DTA and DSC) allowed determining optimal conditions of preparation process and estimating carbon content in the obtained anode materials. Thermogravimetric studies also proved to be highly useful in establishing the leak behaviour of C/Sn nanocomposites. The electrochemical performance of the nanopowders was examined by charge–discharge tests in R2032-type coin cell. The thermal analysis results as well as low-temperature nitrogen adsorption data indicated that the origin of carbon precursor has major impact on morphology and leak behaviour of the obtained carbon buffer matrix. The electrochemical tests showed that better tightness of carbon–tin nanocomposites resulted in higher gravimetric capacity and better cell performance. 相似文献
102.
103.
2,2,4,4-Tetramethyl-3-thioxocyclobutanone (8b) easily reacts with gaseous chlorine to yield the stable alpha-chloro sulfenyl chloride 10. The same product was obtained when 8b was treated either with phosphorus pentachloride (PCl(5)) or sulfuryl chloride (SO(2)Cl(2)) in CCl(4) solution. Sulfur dichloride (SCl(2)) reacts with 8b to give the alpha-chloro thiosulfenyl chloride 12 along with an almost equimolar amount of the trisulfide 13b. The less reactive disulfur dichloride (S(2)Cl(2)) was shown to react slowly with 8b and the symmetrical tetrasulfide 15 was found as the exclusive product. The pure thiosulfenyl chloride 12 added to adamantanethione (8c) yielded the unsymmetrical trisulfide 13c. When 12 was treated with thioacetic acid, the acetylated trisulfide 17 was formed in high yield. "Unzipping" reactions with the acetylated disulfide 16 and trisulfide 17 with morpholine in THF at -40 degrees C led to the formation of mixtures of two sulfur-rich heterocycles identified as the pentathiepane 6b and the hexathiepane 7b. A mixture of analogous products was obtained when alpha-chloro sulfenyl chloride 10 was treated with sodium sulfide in anhydrous THF at -40 degrees C. The formation of 6b and 7b is believed to occur via the intermediate dithiirane 1b and/or the isomeric thiosulfine 2b. In the case of 17 the reaction starts probably with the formation of a nonisolable tetrathiane 18b as presented in Scheme 5. 相似文献
104.
Although there exist a number of methods, such as NMR, X-ray, e.g., which explore the hydration of phospholipid bilayers,
the solvent relaxation (SR) method has the advantage of simple instrumentation, easy data treatment and possibility of measuring
fully hydrated samples. The main information gained from SR by the analysis of recorded “time-resolved emission spectra” (TRES)
is micro-viscosity and micro-polarity of the dye microenvironment. Based on these parameters, one can draw conclusions about
water structure in the bilayer. In this review, we focus on physical background of this method, on all the procedures that
are needed in order to obtain relevant parameters, and on the requirements on the fluorescence dyes. Furthermore, a few recent
applications (the effect of curvature, binding of antibacterial peptides and phase transition) illustrating the versatility
of this method are mentioned. Moreover, limitations and potential problems are discussed. 相似文献
105.
Liesegang rings refract and reflect at the interface between the regions of the same gel but of different thickness. The incident and the refracted rings obey a refraction law analogous to the Snell's law of classical optics, with a reverse of the spacing coefficient being a counterpart of the refraction index. The wavelike behavior of the rings at the interface is explained by geometrical arguments derived from the Jablczynski's spacing principle, and is reproduced in numerical simulations based on a three-dimensional minimalistic version of the nucleation-growth model. 相似文献
106.
The thermodynamic properties of the liquid Ag-Sb alloys were determined using solid oxide galvanic cells with zirconia electrolyte. The emfs of the cells:
107.
Bronowska A Chilmonczyk Z Leś A Edvardsen O Ostensen R Sylte I 《Journal of computer-aided molecular design》2001,15(11):1005-1023
In the present study experimentally determined ligand selectivity of three methylated buspirone analogues (denoted as MM2, MM5 and P55) towards 5-HT1A and 5-HT2A serotonin receptors was theoretically investigated on a molecular level. The relationships between the ligand structure and 5-HT1A and 5-HT2A receptor affinities were studied and the results were found to be in agreement with the available site-directed mutagenesis and binding affinity data. Molecular dynamics (MD) simulations of ligand-receptor complexes were performed for each investigated analogue, docked twice into the central cavity of 5-HT1A/5-HT2A, each time in a different orientation. Present results were compared with our previous theoretical results, obtained for buspirone and its non-methylated analogues. It was found that due to the presence of the methyl group in the piperazine ring the ligand position alters and the structure of the ligand-receptor complex is modified. Further, the positions of derivatives with pyrimidinyl aromatic moiety and quinolinyl moiety are significantly different at the 5-HT2A receptor. Thus, methylation of such derivatives alters the 3D structures of ligand-receptor complexes in different ways. The ligand-induced changes of the receptor structures were also analysed. The obtained results suggest, that helical domains of both receptors have different dynamical behaviour. Moreover, both location and topography of putative binding sites for buspirone analogues are different at 5-HT1A and 5-HT2A receptors. 相似文献
108.
Stanisaw Gnot Ewaryst Rafajowicz Agnieszka Urbaska-Motyka 《Annals of the Institute of Statistical Mathematics》2001,53(2):370-379
In the paper we consider a random linear model for observations provided by spatially located sensors measuring signals coming from one source. For this model a set of sufficient and complete statistics are found, and it is shown that the maximum likelihood estimators of unknown parameters (characteristics of the source) are functions of those statistics. The problem of nonnegative estimators of variance components of the model is shortly discussed. Comparisons of the mean squared errors of several estimators are given. Numerical example concerning hunting for defects in solar cells is considered in details. 相似文献
109.
Oxidative-reductive properties on the acid-base surfaces of the oxide compositions Sn-Ce-Rh-O and Zr-Mg-Y-O, active as catalysts in the ketonization of secondary alcohols were determined based on the isopropanol conversion selectivity. The kinetics of isopropanol conversion was measured in the oxygen-free atmosphere. Activation energies for both directions of conversion (dehydration to propylene and dehydrogenation to acetone) were calculated. The results were compared with the kinetics over SnO2 and ZrO2. Both oxide compositions, Sn-Ce-Rh-O and Zr-Mg-Y-O are oxidative-reductive catalysts containing Lewis acid centers. 相似文献
110.
Novel fluorescent dyes such as benzoxazole-boron complexes, bearing β-ketoiminate ligands, have been synthesized and characterized with a focus on the influence of a substituent on the basic photophysical properties. 1H, 11B, 13C, 15N, and 19F nuclear magnetic resonance (NMR) spectra of substituted 2-phenacylbenzoxazole difluoroboranes have been recorded and discussed. It is worth mentioning that a high correlation coefficient was found between 15N-NMR parameters and substituent constants. The photophysical properties of these new dyes have been investigated by fluorescence and ultraviolet-visible (UV-Vis) absorption spectroscopy. The geometry optimization, vibrational spectra, and the HOMO and LUMO energies were calculated based on density functional theory with the use of the B3LYP functional and 6-311++G(d,p) basis set. 相似文献