This work describes two distinct routes to prepare pyrazolo[1,5-alpha]pyrimidin-7-ones and two distinct routes to prepare pyrazolo[1,5-alpha]pyrimidin-5-ones. Use of 1,3-dimethyluracil as the electrophile in the preparation of the pyrimidin-5-one regioisomer represents a correction of previously reported results. Also, a novel reaction to prepare this isomer was identified and the reaction mechanism elucidated. This work provides the experimentalist with complimentary synthetic pathways that afford either the pyrimidin-7-one or the pyrimidin-5-one regioisomer.

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The methods of molecular mechanics and semiempirical quantum mechanics have been used to investigate the steric and electrostatic features for a group of lipid-like molecules. Included in this group were trilaurin (LLL), tridecyl 1,2,3-propanetricarboxylate (TPT), and a family of short and long acid triacylglycerol molecules (SALATRIM). Computational studies on all of the molecules in the gas phase indicated that the hydrophobic interactions between the fatty acid chains were dominant in determining the molecular conformation. Analysis also showed that the triacylglycerols (LLL and SALATRIM) have similar molecular electrostatic potentials (EP). This electronic similarity suggests that one might expect similar reactivity toward lipase-mediated hydrolysis. A very different EP map was found for TPT, a compound which has each ester linkage molecularly reversed. TPT appears to be resistant to lipolysis, as evidenced by the near total lack of digestibility of this type of lipid in published in-vivo studies conducted in rodents.

Intact kidney tissue samples of normal and spontaneously hypertensive rats (SHRs) were analyzed by hrMAS-NMR spectroscopy and principal component analysis (PCA). Radial components (cortex, outer stripe of the outer medulla, inner stripe of the outer medulla, and papilla) were sampled from various regions across the kidney from multiple animals in order to establish inter- and intra-animal variability. The effects of temperature were also measured. Papilla was differentiated from the other tissue types, and this variation by tissue type was greater than the effect of temperature on the samples (spectra were compared from samples at 2 and 30 degrees C). This study also revealed long term stability issues of tissue storage at -80 degrees C. The PCA showed that the greatest differentiation between normal rats and SHRs was found in the cortex and the regions in the NMR spectra that were correlated with this variation were identified.

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