Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller–Plesset energy

ABSTRACTWe have used Coherent Bragg Rod Analysis (COBRA) to investigate the atomic structure of a 5.6 nm thick Gd2O3 film epitaxially grown on a (100) GaAs substrate. COBRA is a method to directly obtain the structure of systems periodic in two-dimensions by determining the complex scattering factors along the substrate Bragg rods. The system electron density and atomic structure are obtained by Fourier transforming the complex scattering factors into real space. The results show that the stacking order of the first seven Gd2O3 film layers resembles the stacking order of Ga and As layers in GaAs then changes to the stacking order of cubic bulk Gd2O3. This behavior is distinctly different from the measured stacking order in a 2.7 nm thick Gd2O3 in which the GaAs stacking order persists throughout the entire film.

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Corrigendum to “First- and second-order approaches for the direct determination of bridging stresses from R-curves” [J. Eur. Ceram. Soc. 30 (2010) 1229–1236]

Journal of the European Ceramic Society ◽

10.1016/j.jeurceramsoc.2011.01.018 ◽

2011 ◽

Vol 31 (8) ◽

pp. 1523

Author(s):

S. Fünfschilling ◽

T. Fett ◽

S.E. Gallops ◽

J.J. Kruzic ◽

R. Oberacker ◽

...

Keyword(s):

Direct Determination ◽

Second Order ◽

Bridging Stresses

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Simultaneous and Direct Determination of Vancomycin and Cephalexin in Human Plasma by Using HPLC-DAD Coupled with Second-Order Calibration Algorithms

Journal of Analytical Methods in Chemistry ◽

10.1155/2012/256963 ◽

2012 ◽

Vol 2012 ◽

pp. 1-8 ◽

Cited By ~ 4

Author(s):

Le-Qian Hu ◽

Chun-Ling Yin ◽

Ya-Hui Du ◽

Zhi-Peng Zeng

Keyword(s):

Human Plasma ◽

High Performance ◽

Complex Analysis ◽

Direct Determination ◽

Second Order ◽

Decomposition Algorithms ◽

Statistical Comparison ◽

Trilinear Decomposition ◽

Second Order Calibration

A simple, rapid, and sensitive method for the simultaneous determination of vancomycin and cephalexin in human plasma was developed by using HPLC-DAD with second-order calibration algorithms. Instead of a completely chromatographic separation, mathematical separation was performed by using two trilinear decomposition algorithms, that is, PARAFAC-alternative least squares (PARAFAC-ALSs) and self-weight-alternative-trilinear-decomposition- (SWATLD-) coupled high-performance liquid chromatography with DAD detection. The average recoveries attained from PARAFAC-ALS and SWATLD with the factor number of 4 (N=4) were101±5% and102±4% for vancomycin, and96±3% and97±3% for cephalexininde in real human samples, respectively. The statistical comparison between PARAFAC-ALS and SWATLD is demonstrated to be similar. The results indicated that the combination of HPLC-DAD detection with second-order calibration algorithms is a powerful tool to quantify the analytes of interest from overlapped chromatographic profiles for complex analysis of drugs in plasma.

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