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A procedure for quantitative determination of acetylsalicylic acid and acetaminophen in pharmaceuticals by PLS (partial least squares) and PCR (principal component regression) treatment of FT (Fourier transform)-Raman spectroscopic data is proposed. The proposed method was tested on powdered samples. Three chemometric models were built: the first, for samples consisting of an active substance diluted by lactose, starch and talc; the second, in which a simple inorganic salt was applied as an internal standard and additions were not taken into account; and the third, in which a model was constructed for a commercial pharmaceutical, where all constituents of the tablet were known. By utilising selected spectral ranges and by changing the chemometric conditions it is possible to carry out fast and precise analysis of the active component content in medicines on the basis of the simplified chemometric models. The proposed method was tested on five commercial tablets. The results were compared with data obtained by intensity ratio and pharmacopoeial methods. To appraise the quality of the models, the relative standard error of predictions (RSEPs) were calculated for calibration and prediction data sets. These were 0.7-2.0% and 0.8-2.3%, respectively, for the different PLS models. Application of these models to the Raman spectra of commercial tablets containing acetylsalicylic acid gave RSEP values of 1.3-2.0% and a mean accuracy of 1.2-1.7% with a standard deviation of 0.6-1.2%. 相似文献
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Synchronization of a 40 GHz quantum-dash mode-locked (ML) Fabry-Perot laser diode with optically injected pulse streams is experimentally studied. Injected signals consist of nonmodulated and modulated trains of 1.6 ps pulses at various repetition rates, ranging from 10 to 160 GHz and 10 to 160 Gbps, respectively. Subharmonic, fundamental, and harmonic synchronization of the ML laser allows retrieval of stable 40 GHz clock pulses featuring a width of 1.8 ps. Frequency components at 10 and 20 GHz do not create any amplitude modulation on the recovered 40 GHz clock pulses when injecting signals at 10 and 20 GHz/Gbps. In addition, external synchronization of the laser with pulse streams at 80 and 160 GHz/Gbps is sustained despite the absence of significant components at or below 40 GHz. 相似文献
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In the paper the results of comparative investigations on heat transfer performance of boiler convective bundle and its additional surface, i.e. membrane water wall are presented. For this purpose the non-uniform flow field was modelled in an isothermal test stand operated in self-modeling mode. Then the heat transfer characteristics of such arrangement were estimated by means of naphthalene heat/mass transfer analogy technique. The bundle samples in the shape of round bars (rods) were cast with naphthalene and placed in 27 locations in the bundle while water-wall-modeling samples were coated with naphthalene by painting. Both types of samples were exposed to cold air flow. The results were then compared to the mean heat transfer performance of the same bundle exposed to uniform flow field. The differences of approximately 10% were noticed. Moreover, the heat transfer coefficients for additional surface were even three times lower than those of the bundle. In view of results obtained in the work, the commonly made assumption of equality of heat transfer coefficients for both the bundle and its additional surface may lead to certain errors in heat transfer calculations and discrepancies between the calculated values of heating surfaces area and later operational needs of steam generator. 相似文献
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Phenol adsorption on closed carbon nanotubes 总被引:1,自引:0,他引:1
Pacholczyk A Terzyk AP Wiśniewski M Gauden PA Wesołowski RP Furmaniak S Szcześ A Chibowski E Kruszka B 《Journal of colloid and interface science》2011,361(1):288-292
We present the results of systematic studies of phenol adsorption on closed commercially available, unmodified carbon nanotubes. Phenol adsorption is determined by the value of tube-specific surface area, the presence of small amount of surface groups influence adsorption only in very small amount. Phenol can be applied as a probe molecule for comparative analysis of tube surface areas. Tube curvature influences adsorption from solution, i.e., we observe increasing adsorption energy (and slower desorption process) with the decrease in tube curvature. This is in full accordance with molecular simulation results. 相似文献
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Terzyk AP Furmaniak S Harris PJ Gauden PA Włoch J Kowalczyk P Rychlicki G 《Physical chemistry chemical physics : PCCP》2007,9(44):5919-5927
A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micro-mesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath-Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett-Joyner-Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models. 相似文献
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Kyrychenko A Gawinkowski S Urbańska N Pietraszkiewicz M Waluk J 《The Journal of chemical physics》2007,127(13):134501
Electronic absorption spectra of 2,7,12,17-tetra-tert-butylporphycene (TTPC) have been recorded in low-temperature argon and xenon matrices for various deposition conditions. In the region of the S(0)-S(1) electronic transition, the spectra of TTPC in argon reveal a rich site structure, characterized by a series of more than 30 absorption peaks. Studies of the temperature dependence of the electronic spectra in solid argon demonstrated remarkable spectral changes, resulting in the broadening of all bands with increasing temperature. These temperature-induced spectral changes are, to a large degree, reversible, so lowering of temperature is accompanied by the recovery of the original fine-line spectrum. The absorption spectra in xenon reveal broad bands, on which a rich pattern of lines becomes superimposed at low temperatures. Trapping site distribution and the structure of the microenvironment around the TTPC chromophore, embedded in argon and xenon hosts, have been analyzed using molecular dynamics (MD) simulations. The MD results show that the trapping of TTPC in rare-gas solids is influenced by favorable embedding of the bulky tert-butyl groups inside the matrix cage. The crucial role of the tert-butyl groups for the thermodynamics and kinetics of matrix deposition is demonstrated by comparing the results with those obtained for the parent, unsubstituted porphycene. 相似文献