Positive solutions and dynamics of a finite difference reaction–diffusion system

We investigate the dynamics and methods of computation for some nonlinear finite difference systems that are the discretized equations of a time-dependent and a steady-state reaction–diffusion problem. The formulation of the discrete equations for the time-dependent problem is based on the implicit method for parabolic equations, and the computational algorithm is based on the method of monotone iterations using upper and lower solutions as the initial iterations. The monotone iterative method yields improved upper and lower bounds of the solution in each iteration, and the sequence of iterations converges monotonically to a solution for both the time-dependent and the steady-state problems. An important consequence of this method is that it leads to a bifurcation point that determines the dynamic behavior of the time-dependent problem in relation to the corresponding steady-state problem. This bifurcation point also determines whether the steady-state problem has one or two non-negative solutions, and is explicitly given in terms of the physical parameters of the system and the type of boundary conditions. Numerical results are presented for both the time-dependent and the steady-state problems under various boundary conditions, including a test problem with known analytical solution. These numerical results exhibit the predicted dynamic behavior of the time-dependent solution given by the theoretical analysis. Also discussed are the numerical stability of the computational algorithm and the convergence of the finite difference solution to the corresponding continuous solution of the reaction–diffusion problem. © 1993 John Wiley & Sons, Inc.     

Exchange interactions of excitons localized at opposite interfaces in type-II GaAs/AlAs superlattices: Optically detected magnetic resonance and level anticrossing

Two types of excitons, localized at opposite interfaces and characterized by different magnitudes of the exchange interactions at the same radiation energies, are simultaneously in type-II GaAs/AlAs superlattices. It is shown that the additional long-wavelength luminescence line in superlattices grown with growth interruptions after the GaAs layers is due to the recombination of an exciton localized at an inverted interface in regions where the quantum-well width is increased by one monolayer. Pis’ma Zh. éksp. Teor. Fiz. 64, No. 10, 701–706 (25 November 1996)     

Rotational temperature and density measurements in a hypersonic flow by dual-line CARS

Rotational temperature and nitrogen number density are measured in the shock wave/boundary layer interaction region in the vicinity of a two-dimensional compression corner disposed in a low pressure, 55 K, Mach 10 hypersonic air flow. Spatially-resolved data are recorded using a nonlinear optical technique named dual-line coherent anti-Stokes Raman scattering (DLCARS). Averaged temperature and density profiles are compared with those predicted by a Navier-Stokes solver. Good agreement is found.     

Molecular electric field mapping of some anions and cations of 2- aminopurine and 6- thioguanine

Electric fields of the anions, cations and neutral forms of 2-aminopurine and 6-thioguanine have been mapped. Certain important features of the maps are similar to those found earlier in the neutral and ionic forms of adenine and guanine. The computed electric field patterns satisfactorily explain reactive sites and biological activity of the molecules.     

Molecular Orbital Calculations on 2, 4, 6-Trinitrotoluene

Three ab initio calculations (HF/6-3IG, HF/6-3IG*, and HF/6-3IG**) on 2,4,6-trinitrotoluene were made, The results compare well with xray data, except dihedral angles of NO₂ relative to the plane of the benzene ring. The deviations are attributed to packing forces and steric effects in the crystal. The most stable structure was a torsional angle 10° of the methyl top with the benzene ring, unlike toluene. The rotational barriers of the methyl top and the 4-nitro group are small. Hydrogen bonding, dipole moments and total atomic charges arc calculated.     

An easy and fast way to determine the enantiomeric purity of substituted cyclanones

The determination of the enantiomeric purity of 2 or 3-substituted cyclanones, particularly cyclohexanones, is conveniently achieved by derivatisation into cyclic aminals with commercially available (R, R)-1,2-diphenylethylenediamine. The derivatisation procedure is directly done into the NMR tube, instantaneously, and ¹³C NMR allows an accurate measure of the ee.     

Amplification of radiation due to the four-photon parametric process in potassium vapor

The results of the experimental investigation of the radiation amplification due to the stimulated four-photon parametric process in potassium vapor are reported. Two cells with active medium (an oscillatoramplifier system) are used in the experiments. The dominating role of IR radiation 6S → 5P (3.66 µm) in the amplification of violet radiation 5P → 4S (0.4 µm) generated due to the parametric process at two-photon excitation 4S → 6S is shown. This role is conditioned by optically pumped stimulated emission (OPSE). Optical conditions for the amplification of a seed radiation are determined in accordance with their intensity and the buffer gas (He) pressure. The problem of the image conversion from the IR to a visible one with quantum efficiency above 100% is discussed.     

Quasi-Symmetric Designs with Good Blocks

The article is concerned with a characterization of quasi-symmetric (QS) designs with intersection numbers 0 and y. It uses the idea of a good block. Such a block G has the property that for any block B with |G ∩ B| = y, every point is on a block containing G ∩ B. It is proved that if a QS design II with intersection numbers 0 and y has a good block, then II must (i) be affine, symmetric, a linear space or (ii) have one of two possible exceptional parameter sets. Only one example is known in case (ii). If all blocks of II are good and II is not a linear space, then it is a projective or affine geometry or it is an extension (in a more general sense than usual) of a projective plane of order y² or y³+ y. © 1995 John Wiley & Sons, Inc.     

A high performance liquid chromatographic assay for AMP-deaminase activity in the erythrocytes of healthy subjects and patients with inherited purine disorders

A novel method for measuring AMP-deaminase activity in human erythrocytes is presented, based on the determination of the reaction product, IMP, using high performance liquid chromatography. IMP formation was found to be proportional both to the incubation time and the amount of haemolysate over a wide range. The minimal detectable AMP-deaminase activity was more than 1000 times lower than the mean activity found in healthy controls (1083 nmol/h/mg Hb). No marked difference of activity was found in the patients with the following inherited purine disorders: familial juvenile gouty nephropathy and deficiencies of adenosine deaminase, hypoxanthine-guanine phosphoribosyltransferase or adenine phosphoribosyltransferase. The activity in the erythrocytes of patients with chronic renal failure was also similar to controls. The existence of subjects with low erythrocyte AMP-deaminase activity in the population has been confirmed.     

Inclusive (γ, N), (γ, NN) and (γ, Nπ) reactions in nuclei at intermediate energies

Differential cross sections of nucleons excited in photonuclear reactions in medium and heavy nuclei are studied by considering all relevant reaction mechanisms leading to the excitation of protons or neutrons. We take advantage of previous microscopic studies for the absorption and scattering of photons and photoproduced pions, and implement a simulation code in order to take into account the propagation of the nucleons as well as their collisions with other nucleons in the nuclear medium, which generate secondary excited nucleons. Comparison with experimental data is done. Cross sections for nucleon emission in coincidence with one pion are also calculated, and some coincidence observables are discussed.