Mechanistic models for pool nucleate boiling heat transfer: input and validation

Correlations for nucleate boiling heat transfer should be improved, or in the long term possibly be replaced, by the development of mechanistic simulations that include the non-uniform spacing and variable characteristics of the nucleation sites and non-linear interactions between the sites. This paper discusses the interactions that should be included in simulations and some lessons from a first attempt to validate a particular simulation against experimental spatio-temporal data for wall temperature. Input data for nucleation site positions and characteristics are a particular problem and the prospects for obtaining this data from measurements that are independent of boiling are discussed.     

New all-atom force field for molecular dynamics simulation of an AlPO(4)-34 molecular sieve

A force field of the triclinic framework of AlPO(4)-34, important in methanol-hydrocarbon conversion reactions, was developed using an empirical potential function. Molecular dynamics simulation of an AlPO(4)-34 triclinic framework segment of 1216 atoms, containing the template molecules isopropylamine and water, was performed with explicit consideration of atomic charges. The average RMS difference between instantaneous positions of the framework atoms during 1 ns simulation and their positions in the structure determined from single crystal X-ray diffraction was calculated, and the average structure of the flexible framework was determined. The computed Debye-Waller factors and simulated FTIR spectra are in good agreement with the experimental data. The new force field permits detailed molecular dynamics simulations of flexible, charged aluminophosphate molecular sieves which should lead to a better understanding of the catalytic processes and the crucial role played by templating molecules.     

Optimization of bulk cell electrofusion in vitro for production of human-mouse heterohybridoma cells

Cell electrofusion is a phenomenon that occurs, when cells are in close contact and exposed to short high-voltage electric pulses. The consequence of exposure to pulses is transient and nonselective permeabilization of cell membranes. Cell electrofusion and permeabilization depend on the values of electric field parameters including amplitude, duration and number of electric pulses and direction of the electric field. In our study, we first investigated the influence of the direction of the electric field on cell fusion in two cell lines. In both cell lines, applications of pulses in two directions perpendicular to each other were the most successful. Cell electrofusion was finally used for production of human-mouse heterohybridoma cells with modified Koehler and Milstein hybridoma technology, which was not done previously. The results, obtained by cell electrofusion, are comparable to usually used polyethylene glycol mediated fusion on the same type of cells.     

Plant waste residues as inducers of extracellular proteases for a deuteromycete fungus <Emphasis Type="Italic">Trichoderma atroviride</Emphasis>

The ability of Trichoderma atroviride F-534 to utilize plant waste byproducts derived from processing of vegetables and fruits, as the major source of organic carbon and nitrogen for growth and protease production, was tested. The submerged cultivation of T. atroviride F-534 in the mineral base of the Czapek–Dox medium supplemented with plant waste byproducts resulted into copious biomass formation and was accompanied by secretion of several proteolytic enzymes. Zymography analysis of fungal culture filtrates showed that the high-molecular weight (HMW) protease(s) (from 100 kDa to 230 kDa) represent the major portion of secreted enzymes. Serine-type proteases and metalloproteases were predominant, although all known types of proteolytic enzymes were detected dependent on the type of inducer (substrate). The most conspicuous feature of secreted proteases was that the zymography patterns were unique for each plant material tested. These results confirm our previous finding obtained with purified proteins. Results also suggest that HMW protease(s) may participate in the heterotrophic/saprophytic/mode of life of this fungus. Their identity remains, however, obscure.     

High performance liquid chromatography/ion-trap mass spectrometry for separation and simultaneous determination of ethynylestradiol, gestodene, levonorgestrel, cyproterone acetate and desogestrel

A fast and highly sensitive high performance liquid chromatographic/ion-trap mass spectrometric method (LC/MS) has been developed for simultaneous determination of ethynylestradiol (EE2), gestodene (GES), levonorgestrel (LNG), cyproterone acetate (CPA) and desogestrel (DES). Among three types of sorbents tested (C8, C18 and phenyl) from two suppliers, the best separation was achieved on reverse phase Zorbax SB-Phenyl column using aqueous methanol as a mobile phase. A linear gradient profile from 70 up to 100% (v/v) in 7th min, kept constant at 100% up to 10th min and followed by a negative gradient to 70% of methanol up to 12th min was used for elution. Applicability of electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) and influence of the mobile phase composition, its flow rate, capillary/vaporizer temperature of API source and in-source fragmentor voltage ionization are discussed. The on-column limits of quantification (10 S/N) were 300 pg of EE2, 14 pg of GES and LNG, 4 pg of CPA and 960 pg of DES per injection (1 μL) using APCI with data collection in selected ion monitoring (SIM) mode. The analytical performance of the method was evaluated using the determination of EE2, GES, LNG, CPA and DES in contraceptives and river water samples.     

Stability, thermal homolysis and intermediate phases of solid hydroazafullerene C59HN

Density functional (DFT) calculations, high-temperature electron paramagnetic resonance (EPR) and transmission electron microscopy (TEM) results suggest that thermal homolysis of C59HN involves a remarkably stable intermediate C59N-C59HN* structure characterised by charge redistribution from a C59N* radical to a bonded C59HN.     

Nonequilibrium phases of nanoparticle Langmuir films

We report on an in-situ observation of the colloidal silver nanoparticle self-assembly into a close-packed monolayer at the air/water interface followed by a 2D to 3D transition. Using the fast tracking GISAXS technique, we were able to observe the immediate response to the compression of the self-assembled nanoparticle layer at the air/water interface and to identify all relevant intermediate stages including those far from the equilibrium. In particular, a new nonequilibrium phase before the monolayer collapse via the 2D to 3D transition was found that is inaccessible by the competing direct space imaging techniques such as the scanning and transmission electron microscopies due to the high water vapor pressure and surface tension.     

Phase and structural order in mixture of nematic liquid crystals and anisotropic nanoparticles

We studied the structural order in randomly perturbed nematic liquid crystals using a random anisotropic nematic-type lattice model. Simulations were carried out at zero temperature and at various other temperatures, for which we varied the concentration of impurities p, anchoring strength W and imposed external strength fields B at two different histories: temperature-quenched history (TQH) and field-quenched history. The Haller approximation method utilized the temperature dependence of the order parameter to determine the pseudo-critical exponent β at different values of p and W. Consequently, the values of β increased when p and W were increased. Additionally, applying an external field B for investigating the parameters revealed that the TQH established long-range order for high magnitudes of B at zero temperature (T* = 0) and T* = 0.5.