An unstructured mesh finite volume method for modelling saltwater intrusion into coastal aquifers

In this paper, a two-dimensional finite volume unstructured mesh method (FVUM) based on a triangular background interpolation mesh is developed for analysing the evolution of the saltwater intrusion into single and multiple coastal aquifer systems. The model formulation consists of a ground-water flow equation and a salt transport equation. These coupled and non-linear partial differential equations are transformed by FVUM into a system of differential/algebraic equations, which is solved using backward differentiation formulas of order one through five. Simulation results are compared with previously published solutions where good agreement is observed.     

Random oscillations in the Van der Pol system under the action of a broadband random process

We construct the second approximation for random oscillations described by the Van der Pol equation which are under the action of a broadband random process. Translated from Ukrainskii Matematicheskii Zhurnal, Vol. 50, No. 11, pp. 1517–1521, November, 1998.     

Stability radii of positive linear Volterra-Stieltjes equations

We study stability radii of linear Volterra-Stieltjes equations under multi-perturbations and affine perturbations. A lower and upper bound for the complex stability radius with respect to multi-perturbations are given. Furthermore, in some special cases concerning the structure matrices, the complex stability radius can precisely be computed via the associated transfer functions. Then, the class of positive linear Volterra-Stieltjes equations is studied in detail. It is shown that for this class, complex, real and positive stability radius under multi-perturbations or multi-affine perturbations coincide and can be computed by simple formulae expressed in terms of the system matrices. As direct consequences of the obtained results, we get some results on robust stability of positive linear integro-differential equations and of positive linear functional differential equations. To the best of our knowledge, most of the results of this paper are new.     

Trace analysis of rapamycin in human blood by micellar electrokinetic chromatography

A capillary electrophoretic method with UV detection at 278 nm has been developed for analysis of the immunosuppressant rapamycin (sirolimus) in human blood at low microgram per liter levels. Separation has been achieved in an acidic carrier electrolyte containing sodium dodecylsulfate and 30% (v/v) acetonitrile. For sample clean-up and preconcentration, an off-line solid-phase extraction step using a silica-based reversed-phase material and an on-capillary focussing technique were employed. The latter allows the injection of increased sample volumes without excessive band broadening. Although this new method is less sensitive than existing liquid chromatographic procedures combined with mass spectrometry, it is fully suited to routine analysis of rapamycin in blood from patients treated with this drug. Last but not least the low costs make it an attractive alternative to established methods.     

Unprecedented hour-long residence time of a cation in a left-handed G-quadruplex

Cations are critical for the folding and assembly of nucleic acids. In G-quadruplex structures, cations can bind between stacked G-tetrads and coordinate with negatively charged guanine carbonyl oxygens. They usually exchange between binding sites and with the bulk in solution with time constants ranging from sub-millisecond to seconds. Here we report the first observation of extremely long-lived K⁺ and NH₄⁺ ions, with an exchange time constant on the order of an hour, when coordinated at the center of a left-handed G-quadruplex DNA. A single-base mutation, that switched one half of the structure from left- to right-handed conformation resulting in a right–left hybrid G-quadruplex, was shown to remove this long-lived behaviour of the central cation.

An extremely long-lived cation has been detected in left-handed G-quadruplexes.     

Factors controlling the regioselectivity of additions to α-enones—III: Reactions of 3-aryl α-enones with phosphorylated anions

Reaction of phosphonoester 2 and phosphononitrile 3 with chalcone and p-methoxychaleone in THF-t-BuOK at room temperature gives only the product resulting from CC double bond attack. The same reagents with benzalacetone lead to mixture of products resulting from CC double bond and carbonyl attack, though phosphine oxide 4 gives only the products of CC attack. Dypnone gives products of carbonyl attack with 3 and does not react with 2.These results are discussed in terms of perturbation theory: C₄ attack increases with delocalization of the reagent's negative charge and lowering of the α-enone LUMO level.     

Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs

Metabolite-sensing mRNAs, or "riboswitches," specifically interact with small ligands and direct expression of the genes involved in their metabolism. Riboswitches contain sensing "aptamer" modules, capable of ligand-induced structural changes, and downstream regions, harboring expression-controlling elements. We report the crystal structures of the add A-riboswitch and xpt G-riboswitch aptamer modules that distinguish between bound adenine and guanine with exquisite specificity and modulate expression of two different sets of genes. The riboswitches form tuning fork-like architectures, in which the prongs are held in parallel through hairpin loop interactions, and the internal bubble zippers up to form the purine binding pocket. The bound purines are held by hydrogen bonding interactions involving conserved nucleotides along their entire periphery. Recognition specificity is associated with Watson-Crick pairing of the encapsulated adenine and guanine ligands with uridine and cytosine, respectively.     

Interpretation of negative values of the interaction parameter in the adsorption equation through the effects of surface layer heterogeneity

The problem of the negative values of the interaction parameter in the equation of Frumkin has been analyzed with respect to the adsorption of nonionic molecules on energetically homogeneous surface. For this purpose, the adsorption states of a homologue series of ethoxylated nonionic surfactants on air/water interface have been determined using four different models and literature data (surface tension isotherms). The results obtained with the Frumkin adsorption isotherm imply repulsion between the adsorbed species (corresponding to negative values of the interaction parameter), while the classical lattice theory for energetically homogeneous surface (e.g., water/air) admits attraction alone. It appears that this serious contradiction can be overcome by assuming heterogeneity in the adsorption layer, that is, effects of partial condensation (formation of aggregates) on the surface. Such a phenomenon is suggested in the Fainerman-Lucassen-Reynders-Miller (FLM) "Aggregation model". Despite the limitations of the latter model (e.g., monodispersity of the aggregates), we have been able to estimate the sign and the order of magnitude of Frumkin's interaction parameter and the range of the aggregation numbers of the surface species.     

Die Gaspermeabilität von Polybutylenterephthalat in der Umgebung der Einfriertemperatur

The permeability of poly(butylene terephthalate) was examined for He, Ne, Ar and CO₂ at the temperature range of 293–338 K and an upstream pressure to 1,2 bar. The energies of activation of permeation and diffusion in case of Ne, Ar and CO₂ are higher above glass transition temperature than below, while they are nearly constant in case of He. The dependence of temperature of solubility coefficients does not change at the glass transition temperature.     

Zeta-potentials of self-assembled surface micelles of ionic surfactants adsorbed at hydrophobic graphite surfaces

The zeta-potentials of the self-assembled surface ionic surfactants (sodium dodecyl sulfate—SDS and hexadecyltrimethyl ammonium bromide—CTAB) on graphite surfaces were determined both from streaming potential and electrophoretic mobility measurements. The adsorption of the surfactants at graphite–liquid interfaces has been studied using atomic force microscopy (AFM) soft-contact imaging which shows the formation of linear, parallel hemicylinders with headgroups oriented towards the solution. The magnitude of the zeta-potential increased with an increase in surfactant concentration, reaching a constant value at a concentration corresponding to the point of surface micelle formation as confirmed from AFM imaging. The streaming potential and electrophoretic mobility measurements showed that the zeta-potentials of SDS and CTAB surface micelles adsorbed at the graphite surface were about −75 and +70 mV, respectively, well in agreement with the values reported for bulk phase micelles in the literature.