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[Let's study exponential function related to anesthesiology by using computer graphics--Part II: Wash-in exponential function].

The author first explained the wash-in exponential function. Then mathematically simulated changes in the concentration of inhalation anesthetic inside a breathing circle during induction of anesthesia were shown as a physical model related to anesthesiology to explain the idea of wash-in exponential function. Effect of the flow rate and concentration of anesthetic delivered to a breathing circle on the changes in the anesthetic concentration inhaled by patients was calculated and graphed by using a computer program developed for science education. The author also stressed the importance of graphic expression in understanding various physical or biophysical phenomena related to anesthesiology.

Anesthesia, Closed-Circuit↗

Computer graphic representation of mandibular movements in three dimensions: the method.

A mathematical simulation of the Denar D4A articulator and a simulated complement of graphically represented teeth were programmed in a Prime 4000 minicomputer. The computer program could be manipulated to quantitatively evaluate the theoretical effects of changes in articulator and control factors on the anatomy of selected teeth or tooth groups. The effects of these changes could be assessed graphically and numerically and data could be manipulated statistically.

Dental Articulators↗

Use of 3-D-computer graphics for imaging of distribution of hepatic metabolites.

In conjunction with the investigation of intercellular compartmentation of liver metabolism and as a logical further step, following the introduction of a new sample isolation procedure for microchemical analysis of functional liver cell heterogeneity, the possible benefit of computer-assisted three-dimensional imaging procedures for the reconstruction of hepatic metabolite distribution was investigated. In this intent, we elected to access a central computer facility by means of a small microcomputer system which, nevertheless, permitted to take full advantage of a large capacity main-frame computer and a high quality graphics plotter, at comparatively low overall costs. Commercially available software (SAS/GRAPH) was tailored to the specific requirements of this application. The three-dimensional imaging process recombines microchemical data (metabolite or enzyme values) with those of the size and location of samples within a particular cross-sectional area of a liver unit and provides an integrated view of metabolite distributions. The three-dimensional images were then used to define general distribution characteristics, as well as, differences in metabolite distribution along sinusoids of portal and septal origin. Glucose increased, whereas glucose-6-P decreased along sinusoids from the beginning to the end and values of both metabolites were found to be higher along 'portal/central' than along 'septal/central' sinusoids. Co-distribution of glucose-6-phosphatase with its substrate (glucose-6-P) was indicated by histochemical and microchemical results and is anticipated to be of considerable regulatory importance, since it further enhances the differences among hepatocytes at different locations along sinusoids with respect to their ability to produce glucose.(ABSTRACT TRUNCATED AT 250 WORDS)

Animals↗

Antiestrogenic piperidinediones designed prospectively using computer graphics and energy calculations of DNA-ligand complexes.

Drug design technology based upon DNA stereochemistry and now supplemented by computer modeling was used to design a novel compound to inhibit estrogen-induced tumor cell growth. A known compound 3-phenylacetylamino-2,6-piperidinedione (PP) was accommodated in partially unwound DNA in a manner consistent with criteria for antiestrogens. Examination of the PP-DNA complex revealed that substitution of a hydroxyl group at the para position (p-OH-PP) would provide a stereospecific hydrogen bond and a substantial increase in fit as assessed by energy calculations. The antiestrogen tamoxifen could also be accomodated within the site; analogous substitution of a hydroxyl at the 4 position resulted in a better fitting molecule. 4-Hydroxytamoxifen is a more potent antiestrogen than tamoxifen. Synthesis and subsequent evaluation of p-OH-PP as an inhibitor of estrogen stimulated MCF-7 (E3) human breast cancer cell growth demonstrated that p-OH-PP was more active than both PP and its hydrolysis product phenylacetylglutamine. As predicted, the order of fit into DNA correlated with the relative ability to inhibit estrogen-induced growth of tumor cells suggesting that the evolving drug design technology will be valuable in developing new drugs for breast cancer.

Benzeneacetamides↗