Molecular simulation for adsorption of chlorinated hydrocarbon in zeolites

Equilibrium and isosteric heat of adsorption for the system of chloroform and USY-type zeolite were studied. The USY-type zeolite (PQ Co., SiO₂/Al₂O₃=70) was used both as a pure crystalline powder and as granulated particles with binder. Chloroform was reagent grade. The adsorption equilibria were measured using a gravimetric method and were expressed as isotherms. A chromatographic method (i.e. pulse response of chloroform through the USY column with helium carrier) was used to get the initial slope of the isotherms. In the simulation, the GCMC method was used to calculate amounts adsorbed for various conditions. FF parameters were confidently applied. And modified structure model was effective for simulation. This paper was presented at The 5th International Symposium on Separation Technology-Korea and Japan held at Seoul between August 19 and 21, 1999.     

A GC–MS-based metabonomic investigation of blood serum from irritable bowel syndrome patients undergoing intervention with acidified milk products

In the present study, the use of gas chromatography mass spectrometry (GC–MS)-based metabonomics to characterize blood serum in an intervention study of patients suffering from the common gastrointestinal disorder irritable bowel syndrome (IBS) was investigated. The patients included in the study consumed an acidified milk product with (n = 30) or without probiotics (n = 31) (Lactobacillus paracasei F19, Lactobacillus acidophilus LA-5 and Bifidobacterium lactis BB-12) for an 8-week period, and blood serum samples were collected before and after the intervention. Acidified milk is commonly used as a delivering vector for probiotics in commercial consumer settings. The serum samples were extracted and derivatized using N-Methyl-N-(trimethylsilyl) trifluoroacetamide (MSTFA), and GC–MS analysis was carried out. Multivariate data analysis including principal component analysis (PCA), orthogonal partial least squares-discriminant analysis (OPLS-DA), and S-plot was applied on the obtained GC–MS data, which revealed higher serum lactate, glutamine, proline creatinine/creatine, and aspartic acid levels and lower serum glucose levels after the intervention period for both treatment groups. Consequently, the present study indicated an effect of acidified milk consumption on the plasma metabolite profile, which was independent of a concomitant intake of probiotics. In addition, the present study demonstrates that GC–MS is a useful analytical technique for metabonomics studies of blood serum.     

Temporal coordination and adaptation to rate change in music performance.

People often coordinate their actions with sequences that exhibit temporal variability and unfold at multiple periodicities. We compared oscillator- and timekeeper-based accounts of temporal coordination by examining musicians' coordination of rhythmic musical sequences with a metronome that gradually changed rate at the end of a musical phrase (Experiment 1) or at the beginning of a phrase (Experiment 2). The rhythms contained events that occurred at the same periodic rate as the metronome and at half the period. Rate change consisted of a linear increase or decrease in intervals between metronome onsets. Musicians coordinated their performances better with a metronome that decreased than increased in tempo (as predicted by an oscillator model), at both beginnings and ends of musical phrases. Model performance was tested with an oscillator period or timekeeper interval set to the same period as the metronome (1:1 coordination) or half the metronome period (2:1 coordination). Only the oscillator model was able to predict musicians' coordination at both periods. These findings suggest that coordination is based on internal neural oscillations that entrain to external sequences. (PsycINFO Database Record (c) 2011 APA, all rights reserved)     

A monolithic computational approach to thermo‐structure interaction

In the present work, a monolithic solution approach for thermo‐structure interaction problems motivated by the challenging application of the behaviour of rocket nozzles is proposed. Structural and thermal fields are independently discretised via finite elements. The resulting system of equations is solved via a monolithic thermo‐structure interaction scheme, which is constructed by a block Gauss–Seidel preconditioner in combination with algebraic multigrid methods. The proposed method is tested for four numerical examples, the second Danilovskaya problem, a simplified rocket nozzle configuration, an internally loaded hollow sphere, and a fully three‐dimensional nozzle configuration of a subscale thrust chamber. Good agreement of the numerical results with results from the literature is observed. Furthermore, it is shown that the monolithic solution algorithm can handle the complete range of the parameter spectrum, whereas partitioned algorithms are limited to a certain parameter range only. Moreover, the monolithic algorithm exhibits improved efficiency and robustness compared to partitioned algorithms. Copyright © 2013 John Wiley & Sons, Ltd.     

Thermochemical stability of the Y2O3–SiO2 system

A thermodynamic study was carried out in order to quantify the stability of yttrium silicates under different atmospheres (argon, air, moisture), and to predict their behaviour as an EBC. For this purpose, the partial pressures of gaseous species formed during the reactive vaporization in equilibrium with yttrium silicates were evaluated and compared to those over each oxide taken separately. The partial pressures of silicon and rare earth hydroxides at the equilibrium over rare earth silicates are lower than those over each single oxide. Thus yttrium silicates appear to be sufficiently stable to be promising materials to be used as environmental barrier coatings.     

Effect of itaconic acid on the wet scrub resistance of highly pigmented paints for architectural coatings

This study investigates the influence of carboxylic monomers, such as itaconic acid (IA), on the colloidal properties of the latexes made by semi-continuous emulsion copolymerization of styrene (STy) with n-butyl acrylate (BA). A number of copolymerization runs were carried out with different IA concentrations. The effect of functional monomer on the overall conversion, the colloidal properties of the latexes, and the distribution of the carboxylic groups (buried, particle surface and aqueous phase) were examined. The carboxylic groups present in the latexes were analyzed using conductimetric and potentiometric titrations. The behavior of the IA on the wet scrub resistance of highly pigmented paints for architectural coatings was examined and correlated with the distribution of the carboxylic groups. The results obtained showed that the properties of highly pigmented paints are greatly dependent on the amount and distribution of the carboxylic groups. The carboxylic acid distributed in the aqueous phase has a strong influence on the wet scrub resistance and on the characteristics of the final products.     

Membrane phospholipids and sterols in microfiltered milk fat globules

Native milk fat globules of various mean diameters, ranging from d₄₃ = 2.3 µm to 8.0 µm, were obtained using microfiltration of raw whole milk. After milk fat globule washing, the milk fat globule membrane (MFGM) was separated by manual churning. After total lipid extraction and separation of polar lipids, their phospholipid (PL) and sterol composition was measured using thin‐layer chromatography, methyl ester analyses by gas chromatography, and gas chromatography coupled to mass spectrometry. The main PL species were phosphatidylethanolamine, phosphatidylcholine and sphingomyelin. The respective fatty acid composition of each PL species was measured. Many different minor bioactive sterols were detected in the MFGM, e.g. lanosterol, lathosterol, desmosterol, stigmasterol and β‐sitosterol. No significant differences in the PL and sterol profile were found between MFGM extracted from small and large milk fat globule fractions.