Convergence of multistep methods for Volterra functional differential equations

Summary This paper deals with the convergence of nonstationary quasilinear multistep methods with varying step, used for the numerical integration of Volterra functional differential equations. A Perron type condition (appearing in the differential equations theory) is imposed on the increment function. This gives a generalization of some results of Tavernini ([19–21]).     

Interactions of polar hydrogen bond donor solvents with ions: a theoretical study

Structural Chemistry - Intermolecular interactions between molecules of protic solvents (water, methanol, formic acid, formamide, methylamine and ammonia) and monatomic ions (Li+, Na+, K+,...     

Free Radicals, Salicylic Acid and Mycotoxins in Asparagus After Inoculation with Fusarium proliferatum and F. oxysporum

Electron paramagnetic resonance was used to monitor free radicals and paramagnetic species like Fe, Mn, Cu generation, stability and status in Asparagus officinalis infected by common pathogens Fusarium proliferatum and F. oxysporum. Occurrence of F. proliferatum and F. oxysporum, level of free radicals and other paramagnetic species, as well as salicylic acid and mycotoxins content in roots and stems of seedlings were estimated on the second and fourth week after inoculation. In the first term free and total salicylic acid contents were related to free radicals level in stem (P?=?0.010 and P?=?0.033, respectively). Concentration of Fe(3+) ions in porphyrin complexes (g?=?2.3, g?=?2.9) was related to the species of pathogen. There was no significant difference between Mn(2+) concentrations in stem samples; however, the level of free radicals in samples inoculated with F. proliferatum was significantly higher when compared to F. oxysporum.     

Investigation of turbulent flow field in a Kenics static mixer by Laser Doppler Anemometry

The main purpose of the present paper was to apply the Laser Doppler Anemometry (LDA) technique to measure turbulent liquid flow in a Kenics static mixer. The LDA set-up was a one-channel backscatter system with argon-ion laser. Measurements in the static mixer were carried out for three values of the Reynolds number: 5000, 10000, and 18000. Water was used as the process liquid. Values of the axial and tangential components of the local, mean, and root mean square velocities were measured inside the static mixer. It was observed that the shape of the velocity profile depends strongly on the Reynolds number, Re, as well as on the axial, h, and radial, α, position of the measurement point. Strong dependence of the velocity fluctuations on the Reynolds number was found in the investigated range of Re and the measurement point position. Furthermore, one-dimensional energy spectra of the velocity fluctuations were also obtained by means of the Fast Fourier Transform. Fluctuation spectra of the axial and tangential velocities provided information about the energy density of velocity fluctuations in the observed range of Reynolds numbers. A study of the energy spectra led to the conclusion that the energy density increases with the increasing radial distance from the mixer walls at constant values of h, _Re, and α. Minor variations in the mean value of the energy density, E, were observed together with variations of the measurement point angular position, α. In addition, it was observed that an increase of the Reynolds number causes significant increase of the power spectral density.     

Instant Visual Detection of Picogram Levels of Trinitrotoluene by Using Luminescent Metal–Organic Framework Gel‐Coated Filter Paper

There is an ongoing need for explosive detection strategies to uncover threats to human security including illegal transport and terrorist activities. The widespread military use of the explosive trinitrotoluene (TNT) for landmines poses another particular threat to human health in the form of contamination of the surrounding environment and groundwater. The detection of explosives, particularly at low picogram levels, by using a molecular sensor is seen as an important challenge. Herein, we report on the use of a fluorescent metal–organic framework hydrogel that exhibits a higher detection capability for TNT in the gel state compared with that in the solution state. A portable sensor prepared from filter paper coated by the hydrogel was able to detect TNT at the picogram level with a detection limit of 1.82 ppt (parts per trillon). Our results present a simple and new means to provide selective detection of TNT on a surface or in aqueous solution, as afforded by the unique molecular packing through the metal–organic framework structure in the gel formation and the associated photophysical properties. Furthermore, the rheological properties of the MOF‐based gel were similar to those of a typical hydrogel.     

Calculations of 1H NMR coupling constants for conformational studies of isomeric pentofuranosyl nucleosides

The SCF FPT method in the INDO approximation of molecular orbital theory is employed for calculations of ¹H NMR cisoidal coupling constants in model compounds. Obtained results are used for finding conformational states of α-xylo-, β-lyxo-, and α-2′-deoxyribonucleosides in solution.     

Extraktions-polarographische Bestimmung von freiem Polyoxyethylenglykol in Oxyalkylaten

Ohne Zusammenfassung

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Extraction-polarographic determination of free polyoxyethylene glycols in oxyalkylates

     

Atomic dipole approximation and energies of interactions between purine and pyrimidine bases. I. Electrostatic interactions of adenine with uracil,thymine, thiouracils,dihydrouracil, and 5-fluorouracil

The atomic dipole approximation has been employed to calculate the energies of electrostatic interaction between adenine and various pyrimidine derivatives. Minima of the interaction energy for various planar configurations were determined. Inclusion of the “monopole–dipole” and “dipole–dipole” terms in the multipole expansion improves considerably the agreement with experimental data. The effect of sulfur substitution has been investigated in detail. Formation of N? H…?S hydrogen bonds is less favorable than of N? H…?O bonds, due largely to the lower atomic dipole of the sulfur atom resulting from the shift of the π-electron charge toward the neighboring carbon. The results are relevant to the interactions of thiouracils in nucleic acids.