01-08-2011 | Sun, Xiaoming; Liu, Yun; Di, Duolong; Wu, Guotai; Guo, Hongyun, Journal of Chemometrics, 2011

Abstract The aim of this paper is to characterize metabolism disorders in Kunming mice induced by S180 and H22 tumor cells. Metabolic fingerprint based on high performance liquid chromatography‐diode array detector (HPLC‐DAD) was developed to map the disturbed metabolic responses. In vivo ...

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01-08-2011 | Arantes, Francisco F. P.; Barbosa, Luiz C. A.; Maltha, Célia R. A.; Demuner, Antônio J.; Fidêncio ..., Journal of Chemometrics, 2011

Abstract The semi‐empirical molecular orbital method PM6 was employed to calculate a set of molecular descriptors of 20 sesquiterpene lactones (SQLs) with cytotoxicity against HL‐60 (leukemia) tumor cells. The principal component analysis (PCA) and hierarchical cluster analysis (HCA) ...

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01-08-2011 | Gujral, Paman; Amrhein, Michael; Ergon, Rolf; Wise, Barry M.; Bonvin, Dominique, Journal of Chemometrics, 2011

Abstract In principal component regression (PCR) and partial least‐squares regression (PLSR), the use of unlabeled data, in addition to labeled data, helps stabilize the latent subspaces in the calibration step, typically leading to a lower prediction error. For using unlabeled data in ...

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29-07-2011 | Canadian Journal of Chemistry, 2011

Cem B. Kilic and Alpay Taralp - Imidazole was generated in situ via a domino reaction between glyoxal, formaldehyde, and two units of aqueous ammonia. Aqueous bicarbonate and a carboxylic anhydride...

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27-07-2011 | Zwanenburg, Gooitzen; Hoefsloot, Huub C.J.; Westerhuis, Johan A.; Jansen, Jeroen J.; Smilde, Age K., Journal of Chemometrics, 2011

ANOVA–simultaneous component analysis (ASCA) is a recently developed tool to analyze multivariate data. In this paper, we enhance the explorative capability of ASCA by introducing a projection of the observations on the principal component subspace to visualize the variation among the ...

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21-07-2011 | Tsai, Jia‐Ren; Liao, Chen‐Tuo, Journal of Chemometrics, 2011

In analytical chemistry, the evaluation on performance accuracy of an analytical method is an important issue. When an adjusted or new method (test method) is developed, the linear measurement error model is commonly used to compare it with another reference method. For this routine ...

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20-07-2011 | Cooper, John B.; Larkin, Christopher M.; Abdelkader, Mohamed F., Journal of Chemometrics, 2011

Partial least squares (PLS) models of 10 important jet and diesel fuel properties were built using spectra from a master near‐IR dispersive instrument and then subsequently transferred to a secondary dispersive instrument via a novel calibration transfer method using virtual standards and a ...

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14-07-2011 | Cem Sengel; Sophie Gavarini; Nutan Sharma; Laurie J. Ozelius; D. Cristopher Bragg, Journal of Neurochemistry, 2011

J. Neurochem. (2011) 10.1111/j.1471‐4159.2011.07386.x Abstract Thanatos‐associated [THAP] domain‐containing apoptosis‐associated protein 1 (THAP1) is a DNA‐binding protein that has been recently associated with DYT6 dystonia, a hereditary movement disorder involving sustained, ...

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01-07-2011 | Urtubia, Alejandra; Roger, Jean‐Michel, Journal of Chemometrics, 2011

Abstract Wine fermentation is a critical step of winemaking. Unfavorable conditions can seriously affect the quality of the final product; however, it is difficult to anticipate these abnormal behaviors. In this study, the predictive power of stepwise linear discriminant analysis (SLDA) ...

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24-06-2011 | Cem Elbizim, Mithat; Tatar, Demet; Yılmaz, Deniz; Lütfi Öveçoğlu, M., physica status solidi (c), 2011

Abstract In this study, thermal behaviour and microstructural characterization of germanium rich GeO2–PbF2 binary glass system were investigated. The studies were conducted for 10, 20 and 30 mol% PbF2 contents. The thermal behaviour of oxyfluoride lead germanate glasses was studied using ...

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