Exact solution of functionally graded thick cylinder with finite length under longitudinally non-uniform pressure

Elastic analysis of a functionally graded thick-walled cylindrical pressure vessel is analytically studied in the present research. Gradation is considered for all mechanical properties along the thickness direction based on a power function. The constitutive relations are developed in the general cylindrical coordinate system for an axisymmetric pressurized cylinder. For simulation of these two deformation components, first order shear deformation theory is considered. The FG cylinder is subjected to longitudinally non-uniform pressure along the length of the cylinder. The present problem is applicable for simulation of non-uniform pressurized cylinder by fluids or gases.     

Asymptotic spectral analysis in semiconductor nanowire heterostructures

Mathematical settings in which heterogeneous structures affect electron transport through a tube-shaped quantum waveguide are studied, highlighting the interaction between material composition and geometric parameters like curvature and torsion. First, the macroscopic behaviour of a nanowire made of composite fibres with microscopic periodic texture is analysed, which amounts to determining the asymptotic behaviour of the spectrum of an elliptic Dirichlet eigenvalue problem with finely oscillating coefficients in a tube with shrinking cross-section. A suitable formal expansion suggests that the effective one-dimensional limit problem is of Sturm–Liouville type and yields the explicit formula for the underlying potential. In the torsion-free case, these findings are made rigorous by performing homogenization and 3d–1d dimension reduction for the two-scale problem in a variational framework by means of Γ-convergence. Second, waveguides with non-oscillating inhomogeneities in the cross-section are investigated. This leads to explicit criteria for propagation and localization of eigenmodes.     

On clique relaxation models in network analysis

Increasing interest in studying community structures, or clusters in complex networks arising in various applications has led to a large and diverse body of literature introducing numerous graph-theoretic models relaxing certain characteristics of the classical clique concept. This paper analyzes the elementary clique-defining properties implicitly exploited in the available clique relaxation models and proposes a taxonomic framework that not only allows to classify the existing models in a systematic fashion, but also yields new clique relaxations of potential practical interest. Some basic structural properties of several of the considered models are identified that may facilitate the choice of methods for solving the corresponding optimization problems. In addition, bounds describing the cohesiveness properties of different clique relaxation structures are established, and practical implications of choosing one model over another are discussed.     

Use of Molecular Electrostatic Potentials for Analysis of Anticonvulsant Activities of Phenylsuccinimides

Abstract

The present study was performed on a group of 27 derivatives of phenylsuccinimides, of which only 12 were active against maximal electrical shock in spite of the structural similarities of these compounds. The work consisted of four main parts: 1. crystallographic investigations of a subset of chosen compounds; 2. conformational analysis of characteristic molecules from the investigated series, performed by means of molecular mechanics calculations; 3. molecular orbital optimization of all the molecules using the MNDO method starting with conformations obtained in 2; 4. molecular electrostatic potential (MEP) analysis which was performed on the semiempirical (MNDO) and ab initio levels. This research showed that MEP maps provide a signature that distinguishes between active and inactive compounds. There are MEP minima close to the two carbonyl oxygens of the imide ring, and although the magnitude of the difference between the two minima is approximately constant, the sign of the difference provides an activity index. The initial orientations of phenylsuccinimide molecules in relation to the receptor are not equivalent and they depend on the potential distribution around both the succinimide molecules and around the receptor. In the active compounds the negative potential difference at the discussed points most probably influences the initial set-up of the molecules in relation to the receptor and results in a considerably higher probability of the molecules being bound at the right place on the receptor.     

Analysis and Fate of Dibenzothiophene Derivatives in the Marine Environment

Abstract

Dibenzothiophene (DBT) and related methylated derivatives are known to be among the most persistent and probably the most toxic PAH in the marine environment. Their analysis and their fate by photo-oxidation and biodegradation were studied.

The methylated DBT isomers, provided that they are resolved by high resolution GC, were used as organic markers of oil pollution in oysters. The determination of the relative distribution of the four monomethyl DBT allowed to characterize the source of pollution in an oyster-area in the North Brittany (France).

The fate of methylated DBT compounds was studied in a controlled sea-water enclosure where Arabian light oil was spilled. Analysis of the weathered oil showed that: (i) oil was degraded by photo-oxidation at a rate of 0.004% day; (ii) the half-lives of photolysis of methylated DBT was dependent upon the number of methyl groups on the aromatic nucleus: 8 days for DBT, 20 days for methyl-1 DBT and more than 2 years for trimethylated DBT. Compounds solubilized in the water column were identified as methyl-substituted dibenzothiophene sulfoxides and sulfones by HPLC with synchrofluorescence and GC-flame photometric detection.

The metabolic pathway of DBT was established in vitro. Rat microsomes transformed this substrate to DBT-5-oxide and subsequently to DBT-5-dioxide. Such an enzymatic S-oxidation was shown to be principally Cytochrome-P-450 dependent. It is suggested that the mixed-function oxidase (MFO) activity of marine species could be evaluated by this S-oxidation test in addition to the usual aryl hydrocarbon hydroxylase.     

Determination of As(III) using developed dispersive liquid–liquid microextraction and flame atomic absorption spectrometry

The method relies on selective complexation of As(III) with a suitable chelating agent followed by dispersive liquid–liquid microextraction (DLLME) method. Flame atomic absorption spectrometry (FAAS) equipped with microsample introduction system was utilised for determination of As(III). 1-Undecanol and acetone were used as extraction solvent and disperser solvent respectively. Some effective parameters on complex formation and extraction have been optimised. Under the optimum conditions, the enrichment factor of 108 for As(III) was obtained from 9.8?mL of water samples. The calibration graph was linear in the range of 2–15?µg?L^?1 with detection limits of 0.60?µg?L^?1 for As(III). The relative standard deviation (R.S.D.) for ten replicate measurements of 5.00?µ?gL^?1 of As(III) was 6.2%. Operation simplicity and high enrichment factors are the main advantages of DLLME for the determination of As(III) without necessity for hydride generation in water samples.     

Preliminary study on aerosol particle addition calibration method for on-line quantitative analysis of airborne radioactive particles with ICP-MS

An ambient aerosol concentration enrichment system coupled with ICP-MS for real-time monitoring of airborne radioactive particles is now under development. ICP-MS is very sensitive to sample introduction conditions, so it is necessary to develop an easy-use calibration method for on-line quantitative analysis in field application. In this paper, a calibration method using standard solution instead of monodisperse particles was established and validated preliminarily. First of all, four parameters for the method were determined experimentally, including: uptake flow rate and nebulisation efficiency of the Microconcentric nebuliser, nebulisation/transport efficiency of Aridus Desolvating Sample Introduction System, and Relative Sensitivity Factor between ¹⁵⁹?Tb and ¹⁷⁴?Yb. Then, monodisperse terbium nitrate particles were generated by a commercial Vibrating Orifice Aerosol Generator. Continuous aerosols of ytterbium nitrate droplets were nebulised from standard solution. They were mixed together, desolvated through the membrane dryer and introduced into ICP-MS for on-line analysis of terbium nitrate particles. The air sampled from nuclear environment was also introduced into ICP-MS to investigate the effect of flow rate on instrument responses. Finally, atom numbers of ¹⁵⁹?Tb in discrete terbium nitrate particles were determined using the calibration method and compared to the calculated value. Results show that when air flow rate increase from 10?mL?min^?1 to 100?mL?min^?1, the ratio of ¹⁵⁹?Tb ion count to ¹⁷⁴?Yb ion intensity keeps constant although instrument sensitivity decreases by a factor of 25. The relative standard deviation of ¹⁵⁹?Tb atom number measured is better than 18%. The discrepancy with the calculated value could be attributed to the over-estimation of atom number in the particles generated by VOAG because there was some liquid leakage in the VOAG.     

Organic Compounds in Surface and Deep Antarctic Snow

Abstract

Eight surface snow samples taken during the 1987/88, 1988/89 and 1990/91 Italian Antarctic Expeditions and six samples collected at different depths from two dissimilar sites during the 1990/91 Expedition, were analyzed for the non-chlorinated organic content using the GC capillary columns technique and GC-MS. Several biogenic and anthropogenic classes of organic compounds were identified and quantitatively determined. The data obtained give a more complete picture of the pollution level in Antarctica.     

Chelating 2,2′-Diaminodiethylamine Cellulose Filters and X-ray Fluorescence for Preconcentration and Trace Analysis of Natural Waters

Abstract

The 2,2′-diaminodiethylamine (DEN) functional group can be expected to have ideal properties for the chelation of transition metals and their collection from aqueous solutions, independent of the alkali and alkaline earth ions concentration. Introducing DEN into cellulose filters allows straightforward preconcentration of trace cations by a simple filtration step, and the DEN-filter constitutes a suitable target for X-ray fluorescence (XRF) analysis. The linearity between the XRF-response on the loaded DEN-filter and the trace cation concentration in the solution appears excellent, up to a total filter capacity of ca. 3 μeq.cm^?2. The detection limits are around 0.5 μg. l^?1 in most practical cases. Accuracy and precision are around 10%. The applicability of the proposed procedure is illustrated on a comparative basis by XRF-analysis of drinking water and surface water, after preconcentration by DEN-filtration and by alternative procedures.     

Sparse non-negative matrix factorizations for ultrasound factor analysis

Factor analysis is a powerful tool used for the analysis of dynamic studies. One of the major drawbacks of Factor Analysis of Dynamic Structures (FADS) is that the solution is not mathematically unique when only non-negativity constraints are used to determine factors and factor coefficients. In this paper, we introduce a novel method to correct FADS solutions by constructing and minimizing a new objective function. The method is improved from non-negative matrix factorizations (NMFs) algorithm by adding a sparse constraint that penalizes multiple components in the images of the factor coefficients. The technique is tested on computer simulations, and a patient ultrasound liver study. The results show that the method works well in comparison to the truth in computer simulations and to region of interest (ROI) measurements in the experimental studies.