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31.
Multielemental characterisation of cobalt by glow discharge quadrupole mass spectrometry 总被引:5,自引:0,他引:5
Multielemental determination and the assessment of purity of cobalt metal used in the preparation of Ni-based super-alloys have been carried out by glow discharge quadrupole mass spectrometry (GD-QMS). Relative sensitivity factors (RSF) generated from certified iron matrix reference samples (NIST 663 and 664 low alloy steel pin standards) could be used for the determination of different trace element constituents of the sample. Different wet chemical procedures were also carried out for the determination of the trace constituents in the sample. The GD-QMS results are in reasonably good agreement with those obtained from wet chemical procedures, validating the use of the RSF values generated on low alloy steel standards for the computation of trace element concentrations in cobalt metal. A variety of molecular ions formed through the reaction of cobalt (matrix) with the discharge gas (argon) were also detected. 相似文献
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J. C. Lpez V. A. L. Rivera Yu. F. Smirnov A. Frank 《International journal of quantum chemistry》2002,88(2):280-295
The calculation of Franck–Condon factors between different 1‐D Morse potential eigenstates using a formula derived from the Wigner function is discussed. Our numerical calculations using a simple program written in Mathematica are compared with other calculations. We show that our results have a similar accuracy as those calculations performed with more sophisticated methods. We discuss the extension of our method to include non‐Condon effects in the calculation. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 280–295, 2002 相似文献
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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
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Human serum is routinely measured for total calcium content in clinical studies. A definitive high-accuracy and low-uncertainty method is required for reference measurements to underpin medical diagnoses. This study presents a novel octopole collision cell ICP-MS, high-accuracy, methodology and comparison of that technique with double-focusing sector field ICP-MS and an ICP-OES method. Double-matched isotope dilution mass spectrometry (IDMS) was employed for ICP-MS techniques and an exact matching bracketing technique using scandium as an internal standard was used for ICP-OES analysis. Medium resolution mode was utilised for double-focusing sector field ICP-MS analysis to resolve the dominant interferences on the 44Ca/42Ca isotope pair. Hydrogen reaction gas was employed to chemically resolve a number of polyatomic interferences predominantly through charge transfer reactions in the octopole collision cell. Comparison data presented for NIST CRM 909b human serum analysis from all three techniques demonstrates highest accuracy (99.6%) and lowest uncertainty (1.1%) for octopole collision cell ICP-MS. Data from ICP-OES using a non-IDMS technique produces comparably accurate data and low-uncertainties. The much higher total expanded uncertainties for double-focusing sector field ICP-MS compared with octopole collision cell data are explained by lower precision on the measurement of the 44Ca/42Ca isotope ratio. Data for octopole collision cell ICP-MS submitted for an international blind trial comparison (CCQM K-14) demonstrated excellent agreement with the mean of all participants with a low expanded uncertainty. 相似文献
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Susana S. Braga Joana B. Sousa José J.C. Teixeira-Dias 《Journal of organometallic chemistry》2005,690(12):2905-2912
Organometallic-cyclodextrin inclusion compounds were obtained by the treatment of molybdenocene dichloride (Cp2MoCl2) with the modified cyclodextrins (CDs) heptakis-2,3,6-tri-O-methyl-β-CD (TRIMEB) and 2-hydroxypropyl-β-CD (HPβCD) in aqueous solution. The products were isolated by liophilisation and characterised in the solid-state by powder XRD, thermogravimetric analysis, Raman and FTIR spectroscopy, and 13C CP MAS NMR spectroscopy. The results are consistent with inclusion of Cp2MoCl2, rather than hydrolysis products such as [Cp2Mo(H2O)X]+ (X = Cl, OH) or [Cp2Mo(H2O)2]2+. The pure non-included metallocene Cp2MoCl2 and its inclusion compounds with unmodified β-CD, TRIMEB and HPβCD were screened for their potential antiproliferative and cytotoxic activity, in both human cancer and healthy cell lines. Inclusion in CD was found to enhance the cytotoxic effect of Cp2MoCl2, with the TRIMEB adduct displaying the highest anti-tumour activity, along with the lowest toxicity towards non-neoplastic cells. 相似文献
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Marcello G Trevisan 《Analytica chimica acta》2003,493(1):69-81
Direct determination of doxorubicin (DXR), a cytotoxic anthracycline antibiotic, in human plasma was accomplished based on excitation-emission matrix (EEM) fluorescence measurements and multi-way chemometric methods based on parallel factor analysis (PARAFAC) and N-PLS. Several different procedures, such as residual analysis, core consistency diagnostic (CONCORDIA) and split-half analysis were employed to determine the correct number of factors in PARAFAC. These procedures converged to a choice of two factors, attributed to DXR and to the sum of two fluorescence species present in the plasma. Sample PARAFAC loadings were employed to build a regression model against concentration, resulting in a RMSECV of 0.060 μg ml−1. N-PLS using two factors produced a RMSECV of 0.045 μg ml−1. Figures of merit (FOM), such as sensitivity (SEN), selectivity (SEL) and limit of detection (LD) were determined for both PARAFAC and N-PLS. 相似文献