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.     

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.     

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.     

Interfacial effects on stress distribution in model composites

Raman mechanical spectroscopy was used to examine interfacial effects on the stress distribution in model polydiacetylene fiber/epoxy composites. Epoxy release agents were coated on fiber surfaces to modify the interfacial adhesion properties. The modified fiber surfaces were then characterized by scanning electron microscopy and x-ray photoelectron spectroscopy as well as optical microscopy. No difference in the maximum stress value or stress distribution was observed for the two types of fibers, coated or uncoated, used in composites. This suggests that adhesion properties at the composite interface do not affect tensile stress transfer efficiency nor, therefore, the composite tensile modulus along the fiber axis direction in uniaxial composites. Experimental data were also compared with theoretical calculations assuming perfect bonding between fiber and matrix, and idealized frictional force transfer mechanism at the fiber–matrix interface.     

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.     

Optical probing of thin liquid crystal layers using the prism-coupling technique

Prism-coupling work in polymer aligned liquid crystal layers is presented with special emphasis being placed on the ferroelectric chiral smectic C phase, of interest to electro-optic device fabrication. Experimental results as a function of temperature, wavelength and DC applied voltage are presented, together with a study of sp mixing which may have potential device applications as well as being an elegant technique with which to establish the optical dielectric tensor configuration in thin, aligned liquid crystal layers.     

The liquid-crystalline behaviour of amphiphilic ethane-1,2-diol derivatives incorporating a six membered ring in their principal structure

Novel 3-phenyloxy substituted propane-1,2-diol derivatives, 4-(4-n-hexyloxyphenyl)-butane-1,2-diol and 4-(trans-4-n-pyropylcyclohexyl)-butane-1,2-diol have been synthesized and their thermal behaviour has been studied. These compounds exhibit thermotropic and, after addition of water, also lyotropic liquid-crystalline behaviour. The clearing temperatures of the smectic mesophases were found to be strongly dependent on the alkyl chain length and on the structural units that link the aromatic ring to the alkyl chain and to the diol unit. The behaviour of the aromatic compounds is compared with that of the cyclohexane derivative. Thereby it has been realized that the mesophase stability of the amphiphilic diols incorporating a rigid unit is largely determined by both, the molecular geometry (molecular shape and intramolecular flexibility) and the amphiphilic structural pattern.     

Magnetic resonance findings in sarcoidosis of the thorax.

Fifteen patients with sarcoidosis underwent thoracic MRI examinations. The T2 signal intensity of lymphadenopathy varied, with no characteristic pattern noted. Three of four patients with bright lymph nodes on T2 images had stage I sarcoidosis, but low intensity nodes were also seen in stage I patients. Coronal images were complementary to axial images and better depicted subcarinal adenopathy. MRI does not distinguish the lymphadenopathy of sarcoidosis from other entities, but is useful for defining the anatomic extent of disease and differentiating pulmonary artery enlargement from adenopathy.