Systematic drug receptor mapping: A new approach to the analysis of conformational energy calculations of flexible molecules with application to dopaminergic and adrenergic agonists

The computer program PRODIS is used to find low energy conformations of flexible molecules by searching the potential energy surface(s) of one or more torsion angles via rigid rotation. The n-dimensional grid of energy versus torsion angles is then converted to a Boltzman probability distribution, with the probability being represented not as a function of torsion angle, but rather a distance between two atoms. These atoms are chosen by comparison with a known, active analogue in which certain atoms have previously been determined as requirements for drug activity. PRODIS produces a list of low energy conformations, their corresponding interatomic distances and the Boltzman probability for each distance ±0.125, as well as the total probability for each conformation. The user also specifies a target interatomic distance and range (usually derived from a more rigid analogue) for which PRODIS lists all conformations and their Boltzman probability that meet this distance.     

Isoconversional <Emphasis Type="Italic">vs.</Emphasis> Model fitting methods

The crystallization of metallic glasses has been studied quite extensively using differential scanning calorimetry (DSC) technique. Most methods rely on isokinetic hypothesis for the kinetic analysis of crystallization for which the choice of a reliable model is very important. Due to inherent uncertainty in the determination of kinetic parameters, the model-free isoconversional analytical techniques were proposed. However, these isoconversional methods are scarcely used for metallic glasses. In the present work, the crystallization kinetics of Fe₆₇Co₁₈B₁₄Si₁ metallic glass through both isoconversional and isokinetic methods has been investigated and attention has been focused on the relative applicability of the two methods.     

Inclusive and exclusive measurements in the projectile breakup of 7Li

The inclusive and exclusive measurements were carried out for ⁷Li projectile breakup on ²⁷Al target at 48 MeV. In the inclusive data we have observed a broad peak around the beam velocity for alphas and tritons. The exclusive data for alpha-triton coincidences show good agreement with the post-form DWBA theory of breakup reactions.     

Effect of alpha-tocopherol on pulmonary antioxidant defence system and lipid peroxidation in cigarette smoke inhaling mice

Background  

Free radicals generated in biological systems by cigarette smoke (CS) inhalation can cause oxidative stress in tissues, resulting in lipid peroxidation (LPO). In view of the antioxidant properties of α-tocopherol (AT), in the present study, effects of AT on antioxidant defence system and LPO were investigated in mice inhaling CS for different time intervals.     

Surface acoustic wave propagation and inhomogeneities in low-density two-dimensional electron systems near the metal-insulator transition

We have measured the surface acoustic wave velocity shift in a GaAs/AlGaAs heterostructure containing a two-dimensional electron system (2DES) in a low-density regime (<10¹⁰ cm⁻²) at zero magnetic field. The interaction of the surface acoustic wave with the 2DES is not well described by a simple model using low-frequency conductivity measurements. We speculate that this conflict is a result of inhomogeneities in the 2DES, which become very important at low density. This has implications for the putative metal-insulator transition in two dimensions.     

1D spectroscopic imaging with rf echo planar (SIRFEN) methods

A recently developed rf echo planar imaging method has been modified to rapidly generate spectroscopic information along one in-plane axis and spatial information along the other. The method allows the production of one-dimensional chemical shift images (1D CSIs) in acquisition times of 18 sec or less. A specific phase-encode-reordering algorithm provides convenient manipulation of T₂ weighting, yielding partial suppression of short T₂ species like muscle water. The method is demonstrated in phantoms and in vivo with 1D CSIs of human brain and limbs. Abnormal fat distribution is demonstrated in the calf of a patient with aggressive fibromatosis. The advantages of short acquisition times obtainable with SIRFEN are offset by limited spectral resolution, suggesting that primary applications will be confined to rapid spatial mapping of major spectral components.