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Biomedical subjects

R A Pearlstein

Publications and source records attributed to R A Pearlstein.

5 recordsLinked to original sources

A quantitative structure-activity relationship analysis of some 4-aminodiphenyl sulfone antibacterial agents using linear free energy and molecular modeling methods.

A set of 36 congeneric 4-aminodiphenyl sulfones with measured inhibition potencies of dihydropteroate synthase were studied by using both linear free energy and molecular modeling methods. The goals of the investigation were to identify the "active" conformation for these compounds as inhibitors and, correspondingly, to contruct a quantitative structure-activity relationship (QSAR). These molecules are quite flexible and possess multiple conformational energy minima. Application of molecular shape analysis (MSA), using all intramolecular energy minima as part of the analysis, was not successful in generating a QSAR. However, the calculated intramolecular conformational entropy of these compounds was found to correlate with inhibition potency leading to a highly significant QSAR. Inhibition potency increases as entropy decreases. A decrease in entropy enhances the population of specific, symmetry-related minimum-energy conformations. In this indirect way, it was possible to postulate an "active" conformation. This investigation illustrates that specific knowledge of the "active" shape of a molecule may not provide the information needed to quantitatively explain the observed structure-activity relationship.

Anti-Bacterial Agents

Sex differences in the shape of the sexually dimorphic nucleus of the preoptic area and suprachiasmatic nucleus of the rat: 3-D computer reconstructions and morphometrics.

Three-dimensional images of nuclei facilitate morphological comparisons between differing animal groups. As revealed by computer-assisted techniques, the greater volume in male rats of the sexually dimorphic nucleus of the preoptic area was not proportional in all directions. The nucleus was more elongated in males than females, indicating a sex-dependent shape. This study also indicated that the volume of the suprachiasmatic nucleus was larger in males.

Animals

Computer graphics presentation modes for biologic data. Types and examples.

New advances in automated cytology, computer microscopy, densitometry and other instrumentation for feature/scene acquisition or analysis have resulted in higher information densities than heretofore encountered. Two-, three- and four-space computer graphics provide favorable bandwidth conditions for transforming complex, large-scale data sets into visual displays that allow a human observer, utilizing the brain's efficient processing of visual information, to rapidly grasp relationships and synthesize concepts. Examples of multidimensional displays are presented, all developed by neuroscientists who are not computer specialists. Because modern graphics and image-synthesis techniques can now be implemented on any one of several commercially available very-high-speed integrated-circuit-based display systems, at moderate cost, exploitation of specifically visual presentation should be carefully considered in any system generating information in high density.

Animals

Toward an open architecture for morphometric computing.

Prototype biomedical computing and graphics systems developed since the early 1970s for computer microscopy, architectonic or morphometric analysis and visual display have been marked by the highly local character of their designs. Such approaches, while often heroic and unusually creative in character, have limited the exportability of hardware or software products to the larger biomedical community. A general systems orientation, based on a shared, "open" architecture of hardware and software, with known and published standards, is proposed. The incremental nature and funding character of such a system is also discussed.

Computers

A multimodal system for reconstruction and quantification of neurologic structures.

The utility of computers and computer graphics as aids in the study of nervous system architecture is growing. However, modern histologic, immunocytologic and biochemical methods for revealing the underlying microarchitecture and macroarchitecture of the nervous system yield data formats requiring disparate computer acquisition, analysis and display approaches, capable of spanning many orders of magnitude of scale. This paper describes the Image Graphics Laboratory data acquisition, processing and display system, whose various components and programs may be used singly or in concert to enable definition of various tissue properties at different levels of resolution and integration. Examples are given of the system's use in light microscopic two-dimensional and three-dimensional reconstructions, autoradiographic reconstructions, reconstructions from projected images, reconstructions of impregnated cells (e.g., whole neurons) and peripheral nerve image analysis.

Animals