Determination of chlorine and pentachlorophenol in wood

Chlorine in wood was determined in connection with the development of a reference material (RM) of pentachlorophenol (PCP) in wood. The element was determined by photon activation analysis (PAA) using bremsstrahlung of 19 MeV electrons from an electron linear accelerator. The initial overall Cl content as well as the Cl remaining after extraction with methanol and subsequent extraction with water were determined. Moreover, the PCP fractions in the organic and in the aqueous extracts were analyzed by gas chromatography (GC). The results show that at least three quarters of the overall chlorine is bound in PCP and that PCP can be extracted to a high degree.     

Intramolecular interaction effects and the structure of N2OS and N2O2: An Ab initio study

An ab initio study of O?N? N?S with full geometry optimization has been carried out to corroborate the presence of an interaction between the terminal atoms in this type of structure, which, in O?N? N?O, apparently stabilizes the cis conformer. Using the unscaled 4–31G basis set with a full set of d functions on the sulfur, there is a potential minimun at the trans but not the cis geometry. A gauche conformer with a torsional angle of 77.2° is the most stable. With N₂O₂ this basis set gives potential minima at both the cis and trans geometries, but the trans conformer is slightly more stable, contrary to experiment and the results of (7,3) basis-set calculations reported in the literature in which Gaussian lobe functions were employed. Using a (9,5) basis set there is no longer a potential minimum at the cis geometry, and a gauche structure is more stable than the cis conformer as in the case of N₂OS with the less-extended basis set. Force constants (harmonic and anharmonic), compliance constants, relaxed force constants, and interaction-displacement coordinates for both molecules are compared for key structural elements.     

Differential interactions of plasmid DNA, RNA and endotoxin with immobilised and free metal ions

Separation of negatively charged molecules, such as plasmid DNA (pDNA), RNA and endotoxin forms a bottleneck for the development of pDNA vaccine production process. The use of affinity interactions of transition metal ions with these molecules may provide an ideal separation methodology. In this study, the binding behaviour of pDNA, RNA and endotoxin to transition metal ions, either in immobilised or free form, was investigated. Transition metal ions: Cu2+, Ni2+, Zn2+, Co2+ and Fe3+, typically employed in the immobilised metal affinity chromatography (IMAC), showed very different binding behaviour depending on the type of metal ions and their existing state, i.e. immobilised or free. In the alkaline cell lysate, pDNA showed no binding to any of the IMAC chemistries tested whereas RNA interacted significantly with Cu2+-iminodiacetic acid (IDA) and Ni2+-IDA but showed no substantial binding to the rest of the IMAC chemistries. pDNA and RNA, however, interacted to varying degrees with free metal ions in the solution. The greatest selectivity in terms of pDNA and RNA separation was achieved with Zn2+ which enabled almost full precipitation of RNA while keeping pDNA soluble. For both immobilised and free metal ions, ionic strength of solution affected the metal ion-nucleic acid interaction significantly. Endotoxin, being more flexible, was able to interact better with the immobilised metal ions than the nucleic acids and showed binding to all the IMAC chemistries. The specific interactions of immobilised and/or free metal ions with pDNA, RNA and endotoxin showed a good potential, by selectively removing RNA and endotoxin at high efficiency, to develop a simplified pDNA purification process with improved process economics.     

Optimal shape design for packaging containing heating elements by inverse heat transfer method

The present study is concerned with the determination of the optimal shape for a package containing multiple heating elements. The optimization tool has been developed based on the inverse heat transfer (IHT) approach, incorporating a direct problem solver, a numerical grid generator, a direct-differentiation sensitivity analyzer, and the conjugate gradient method. Shape design that leads to a specified outer surface temperature distribution is predicted by the approach. In this study, the effects of internal heat generation on optimal shapes of the packagings have also been evaluated. Several practical cases with various imbedded heating elements and thermal conditions are studied. Results show that the approach provides an efficient computer-aided design scheme for the shape profile determination.     

Radiochemical studies on the separation of cobalt with sodium alginate

⁶⁰Co was used as indicator for studies on the separation of cobalt with sodium alginate. Effect of eight experimental parameters (digestion time, digestion temperature, mode of separation, concentration of reagents, pH, order of heating, ammonia, mixing of reagents) on the precipitation and separation of cobalt alginate have been investigated.     

The use of rigid ethanolic solutions for the phosphorimetric investigation of organic compounds of pharmacological interest

Phosphorescence excitation and emission spectral peaks, lifetimes, working curves and limits of detection of 22 organic compounds of pharmacological importance in rigid (77°K) ethanolic solution are given. Ethanol can be easily prepared in a high degree of purity, and most drugs are much more soluble in ethanol than in most solvents previously used for phosphorimetric studies. The possible application of phosphorimetry to the trace analysis of drugs in biological fluids is discussed.     

Bremsstrahlung in proton-α scattering

Proton-α bremsstrahlung cross sections have been measured at 45 MeV for θ_p = 91°, θ_α = 30° and θ_p = 70°, θ_α = 39°; at 40 MeV for θ_p = 92°, θ_α = 29°; and at 22 MeV for θ_p = 70°, θ_α = 30°. Calculations for these cross sections have been made using the Feshbach-Yennie model following the methods of Green and Prodon including p-α partial waves up to L = 4. These potential-independent calculations have only the proton-α elastic-scattering phase shifts as input. Good agreement with the experimental cross sectios has been obtained.     

Plasmonic gold nanocrosses with multidirectional excitation and strong photothermal effect

We report a facile chemical synthesis of well-defined gold nanocrosses through anisotropic growth along both <110> and <001>, whereas gold nanorods grow only along either <110> or <001>. The multiple branching was achieved by breaking the face-centered-cubic lattice symmetry of gold through copper-induced formation of single or double twins, and the resulting gold nanocrosses exhibited pronounced near-IR absorption with a great extension to the mid-IR region. As studied by discrete dipole approximation (DDA) simulations, the entire nanocross gets excited even when one of the branches is exposed to incident light. The above properties make them useful as octopus antennas for capturing near-IR light for effective photothermal destruction of cells. The cell damage process was analyzed using the Arrhenius model, and its intrinsic thermodynamic characteristics were determined quantitatively. Besides effective photothermal treatment and two-photon luminescence imaging, the near- and mid-IR-absorbing gold nanocrosses may also find applications in IR sensing, thermal imaging, telecommunications, and the like.