Least-squares support vector machines and near infrared spectroscopy for quantification of common adulterants in powdered milk

This paper proposes the use of the least-squares support vector machine (LS-SVM) as an alternative multivariate calibration method for the simultaneous quantification of some common adulterants (starch, whey or sucrose) found in powdered milk samples, using near-infrared spectroscopy with direct measurements by diffuse reflectance. Due to the spectral differences of the three adulterants a nonlinear behavior is present when all groups of adulterants are in the same data set, making the use of linear methods such as partial least squares regression (PLSR) difficult. Excellent models were built using LS-SVM, with low prediction errors and superior performance in relation to PLSR. These results show it possible to built robust models to quantify some common adulterants in powdered milk using near-infrared spectroscopy and LS-SVM as a nonlinear multivariate calibration procedure.     

Determination of organophosphate esters in air samples by dynamic sonication-assisted solvent extraction coupled on-line with large-volume injection gas chromatography utilizing a programmed-temperature vaporizer

An on-line method for the determination of airborne organophosphate esters based on dynamic sonication-assisted solvent extraction and large-volume injection (LVI) gas chromatography with nitrogen-phosphorous detection is introduced. The LVI is performed with a programmed-temperature vaporizer. The entire extracted fraction of 800 microl (hexane-methyl-tert.-butyl ether, 7:3, v/v) is introduced directly into the GC system without any clean-up step following extraction. The extraction and analysis step were completed in less than 15 min. The limit of detection of the investigated organophosphate esters was established to be in the range of 5-32 pg/filter. The correlation coefficients (r2) were investigated in the linear range study of the entire system and established to be approximately 0.9900 for all the investigated organophosphates esters. Applications of the method was demonstrated with the extraction of air samples collected onto glass fiber filters from different indoor environments. Six organophosphate esters were found at the levels 0.4-138 ng/m3.     

Sol-gel technique for the generation of europium-doped mesoporous and dense thin films: A luminescent study

In this paper, a series of europium-activated titania mesoporous and dense thin films were prepared by sol-gel process. Structural characterizations show that high europium ion loadings can be incorporated into titanium dioxide walls without destroying the mesoporous arrangement. However, high europium content locks the titanium dioxide crystallization process. Upon 10% europium ions loading, mesoporous thin films are mainly amorphous, whereas dense ones are still partially crystallized. Eu³⁺ ion luminescence has been investigated by exciting through the semiconductor host lattice. Emission features reveal that europium ions adopt similar environments (nanocrystalline and glassy-like ones) in both dense and mesoporous thin films. Fluctuations of europium emission under continuous UV excitation have been observed. One observes that the effect strongly depends on the thin films’ crystalline character which is strongly related with the texturation and existence at the mesoscopic length scale.     

Fuzzy Markov Chains and Decision-Making

Decision-making in an environment of uncertainty and imprecision for real-world problems is a complex task. In this paper it is introduced general finite state fuzzy Markov chains that have a finite convergence to a stationary (may be periodic) solution. The Cesaro average and the -potential for fuzzy Markov chains are defined, then it is shown that the relationship between them corresponds to the Blackwell formula in the classical theory of Markov decision processes. Furthermore, it is pointed out that recurrency does not necessarily imply ergodicity. However, if a fuzzy Markov chain is ergodic, then the rows of its ergodic projection equal the greatest eigen fuzzy set of the transition matrix. Then, the fuzzy Markov chain is shown to be a robust system with respect to small perturbations of the transition matrix, which is not the case for the classical probabilistic Markov chains. Fuzzy Markov decision processes are finally introduced and discussed.     

Conformational selection of glycomimetics at enzyme catalytic sites: experimental demonstration of the binding of distinct high-energy distorted conformations of C-, S-, and O-glycosides by E. Coli beta-galactosidases

We show that the conformational features of the molecular complexes of E. coli beta-galactosidase and O-glycosides may differ from those formed with closely related compounds in their chemical nature, such as C- and S-glycosyl analogues. In the particular case presented here, NMR and ab initio quantum mechanical results show that the 3D-shapes of the ligand/inhibitor within the enzyme binding site depend on the chemical nature of the compounds. In fact, they depend on the relative size of the stereoelectronic barriers for chair deformation or for rotation around Phi glycosidic linkage.     

Necessary contact conditions for charge injection development into KBr single crystals

We have studied the current vs time behaviour of KBr single crystals by applying a constant voltage between a pointed cathode and a flat anode at constant temperature. The obtained curves are characterized by three or four different zones. We report here very detailed results on the first one. We conclude that in this zone the current through the crystal is purely ionic. As a consequence of this ionic transport, K atoms accumulate at the pointed cathode to form a new electrode. This acts as an injecting contact for electronic current. Electron injection currents and, therefore, colour center clouds that developed upon the formation of this new injecting contact, mark the start of zone II of the current vs time curve. Simple equations are proposed to explain the kinetics of zone I. Experiments by other authors are also analyzed. Finally, a discussion on the simpler experimental conditions required to create the new injecting contact is presented. Results on zones II and III will be published in the near future.     

Analytical properties of 2-oximinodimedone dithiosemicarbazone

The synthesis and analytical properties of 2-oximinodimedone dithiosemicarbazone are described.