12 resultados para 030106 Quality Assurance Chemometrics Traceability and Metrological Chemistry

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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High-quality ZnS, ZnS:Mn2+, and ZnS:Mn2+/ZnS (core/shell) nanocrystals (NCs) were synthesized via a high-boiling solvent process and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectra. The monodisperse ZnS NCs (size = 8 nm), which self-assembled into several micrometer-sized domains, were achieved by adopting poly(ethylene glycol) (PEG) in the reaction process (without using a size-selection process). The obtained ZnS:Mn2+ and ZnS:Mn2+/ZnS core/shell NCs are highly crystalline and quasimonodisperse with an average particle size of 6.1 and 8.4 nm, respectively. All of the as-formed NCs can be well dispersed in hexane to form stable and clear colloidal solutions, which show strong visible emission (blue for ZnS and red-orange for ZnS:Mn2+ and ZnS:Mn2+/ZnS) under UV excitation. The growth of a ZnS shell on ZnS:Mn2+ NCs, that is, the formation of ZnS:Mn2+/ZnS core/shell NCs, resulted in a 30% enhancement in the PL intensity with respect to that of bare ZnS:Mn2+ NCs due to the elimination of the surface defects.

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We report a LD side-pumped fundamental-mode (Mx(2) = 1.35 and My(2) = 1.27) passive Q-switched and mode-locked Nd:YAG laser based on a semiconductor saturable absorber mirror (SESAM). At a pump current of 12.5 A, the average output power of 5.68 W with 80 kHz repetition rate and 2 mu s pulse width of the Q-switched envelope was generated. The repetition rate of the mode-locked pulse within the Q-switched envelope of 88 MHz was achieved.

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This review presents the latest advances in the application of microwave energy to analytical chemistry. The fundamental principles of microwave field interaction with the matter are presented and their significance for the chemist is discussed, followed by the basic principles of microwave equipment construction and operation. Examples of the techniques that utilized microwave energy for digestion, extraction, chemical reaction, preconcentration, and desorption of the analytical sample are presented. A separate section describes the examples of usage of microwave technology in catalysis, environmental, and nuclear chemistry and engineering.

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Gas-phase ion-molecular reactions of C-60 and C-70 with the ion system of acetone have been studied in this paper. The ions of protoned and acetylized C-60 and C-70 were formed by the reactions of C-60 and C-70 with some ions which existed in the ion system when mass spectrometer worked on chemical ionization conditions. The reactivity of C-70 is greater than that of C-60. Results of quantum chemical calculation for the adduct ions showed a sigma bond between the acyl carbon atom and C-60 may be Formed. These results will provide some valuable informations on the condense-phase acetylization of C-60.

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The structures of CH5O+ from two different reactions which are protonation of CH3OH from the above two pathways possess the same structures, CH3OH2+. The value of kinetic energy release for the metastable decomposition CH2OH3+-> CH2OH+ + H-2 determined from the experiment is in good agreement with that from theoretical calculations. The transition state of above reaction were disscussed.

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Nine novel triazole compounds containing ester group were designed and synthesized. Their structures were confirmed by elemental, H-1 NMR and IR analyses, and optimized by means of DFT (Density Functional Theory) method at the B3LYP/6-31G* level. Based on the quantum-chemical calculation results and the Pearson coefficients between FA and quantumchemical parameters, V, LogP, MR and E-HOMO are shown to be the important relative factors which affect FA of the title compounds.

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In this paper, we present a facile and general synthetic route to high-quality alkaline earth metal fluoride (AEF(2), AE = Ca, Sr, Ba) nanocrystals and CaF2:Tb3+ nanocrystals based on the thermal decomposition of corresponding trifluoroacetate precursors in hot oleylamine. X-ray diffraction, transmission electron microscopy, thermogravimetric and differential thermal analysis, Fourier transform infrared spectra, photoluminescence spectra, and kinetic decays were employed to characterize the samples. The use of single-source precursors plays an important role in the formation of high-quality AEF(2) nanocrystals, and the formation process is demonstrated in detail.

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A group of statistical algorithms are proposed for the inversion of the three major components of Case-H waters in the coastal area of the Huanghai Sea and the East China Sea. The algorithms are based on the in situ data collected in the spring of 2003 with strict quality assurance according to NASA ocean bio-optic protocols. These algorithms are the first ones with quantitative confidence that can be applied for the area. The average relative error of the inversed and in situ measured components' concentrations are: Chl-a about 37%, total suspended matter (TSM) about 25%, respectively. This preliminary result is quite satisfactory for Case-H waters, although some aspects in the model need further study. The sensitivity of the input error of 5% to remote sensing reflectance (Rrs) is also analyzed and it shows the algorithms are quite stable. The algorithms show a large difference with Tassan's local SeaWiFS algorithms for different waters, except for the Chl-a algorithm.