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Int. J. Mol. Sci., Volume 7, Issue 7 (July 2006), Pages 186-254

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Research

Open AccessArticle Rate and Product Studies of Solvolyses of Benzyl Fluoroformate
Int. J. Mol. Sci. 2006, 7(7), 186-196; doi:10.3390/i7070186
Received: 19 March 2006 / Accepted: 21 June 2006 / Published: 5 July 2006
Cited by 19 | PDF Full-text (153 KB) | HTML Full-text | XML Full-text
Abstract
The specific rates of solvolysis of benzyl fluoroformate have been measured inseveral hydroxylic solvents at 25.0 °C. For methanolysis, the solvent deuterium isotopeeffect and activation parameters were determined and activation parameters were alsodetermined for solvolyses in ethanol and 80% ethanol. For several of
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The specific rates of solvolysis of benzyl fluoroformate have been measured inseveral hydroxylic solvents at 25.0 °C. For methanolysis, the solvent deuterium isotopeeffect and activation parameters were determined and activation parameters were alsodetermined for solvolyses in ethanol and 80% ethanol. For several of the binary hydroxylicsolvents, measurement of product ratios allowed selectivity values to be determined. Anextended Grunwald–Winstein treatment of the data led to sensitivities to changes in solventnucleophilicity and ionizing power. Comparison with previously determined specific ratesfor solvolysis of the chloroformate gave fluorine/chlorine rate ratios greater than unity. Allof the determinations made were consistent with an addition–elimination (association–dissociation) mechanism, with addition rate-determining. Full article
Open AccessCommunication Molecular Structure of Human Transferrin – Transferrin Receptor Complex
Int. J. Mol. Sci. 2006, 7(7), 197-203; doi:10.3390/i7070197
Received: 19 May 2006 / Accepted: 14 June 2006 / Published: 27 July 2006
Cited by 4 | PDF Full-text (108 KB) | HTML Full-text | XML Full-text
Abstract
Transferrin receptor (TfR) is a glycoprotein mediating the entry of ferrictransferrin (Tf) from the extracellular compartment into the cells. TfR are present on thesurface of many cell types but they are most abundant on cells active in hemoglobinsynthesis. However, the knowledge on the
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Transferrin receptor (TfR) is a glycoprotein mediating the entry of ferrictransferrin (Tf) from the extracellular compartment into the cells. TfR are present on thesurface of many cell types but they are most abundant on cells active in hemoglobinsynthesis. However, the knowledge on the complex, recombination, between Tf and sTfR islimited. Here, the author performs an analysis to study the molecular structure of human Tf- sTfR complex. The output 3D molecular structure from the combination between Tf andTfR is derived. The property as well as geometry of the derived complex was also presented. Full article
Open AccessArticle Epigallocatechin-3-Gallate Ameliorates Alcohol-Induced Liver Injury in Rats
Int. J. Mol. Sci. 2006, 7(7), 204-219; doi:10.3390/i7070204
Received: 16 February 2006 / Revised: 1 June 2006 / Accepted: 21 July 2006 / Published: 26 July 2006
Cited by 16 | PDF Full-text (393 KB) | HTML Full-text | XML Full-text
Abstract
Endotoxemia is a common event in alcoholic liver disease. Elevated intestinalpermeability is the major factor involved in the mechanism of alcoholic endotoxemia andthe pathogenesis of alcoholic liver disease. This study examined the effect ofepigallocatechin-3-gallate (EGCG) on alcohol-induced gut leakiness, and explored therelated mechanisms
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Endotoxemia is a common event in alcoholic liver disease. Elevated intestinalpermeability is the major factor involved in the mechanism of alcoholic endotoxemia andthe pathogenesis of alcoholic liver disease. This study examined the effect ofepigallocatechin-3-gallate (EGCG) on alcohol-induced gut leakiness, and explored therelated mechanisms involved in its protection against alcohol-induced liver injury in rats.Four groups of female Sprague-Dawley rats were studied. Alcohol and alcohol/EGCGgroups rats received fish oil along with alcohol daily via gastrogavage for 6 weeks, anddextrose and dextrose/EGCG groups rats were given fish oil along with isocaloric dextroseinstead of alcohol. The dextrose/EGCG and alcohol/EGCG groups received additionaltreatment of EGCG (100mg.kg-1 body weight) daily intragastrically by gavage. Intestinalpermeability was assessed by urinary excretion of lactulose and mannitol (L/M ratio). Liverinjury was evaluated histologically and by serum alanine aminotransferase (ALT). Plasmaendotoxin and serum tumor necrosis factor-α (TNF-α) levels were assayed; livermalondialdehyde (MDA) contents determined. CD14 and inflammatory factors, such asTNF-α, cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase (iNOS) mRNAs inthe liver were analyzed by reverse transcriptase-polymerase chain reaction (RT-PCR). Ratsgiven fish oil plus alcohol had gut leakiness (L/M ratio was increased), which wasassociated with both endotoxemia and liver injury. The above responses were accompaniedby increased CD14, TNF-α, COX-2 and iNOS mRNA expressions in the liver. EGCGsupplementation partly blocked the gut leakiness, reduced endotoxemia and lipidperoxidation, and blunted the elevated expressions of CD14, TNF-α, COX-2 and iNOS, allof which were associated with improved liver injury. These results show that EGCG can block alcohol-induced gut leakiness, reduce endotoxemia, and inhibit inflammatory factors expressions in the liver, thereby ameliorates alcohol-induced liver injury. Full article
Open AccessArticle Self-Organizing Molecular Field Analysis on a New Series of COX-2 Selective Inhibitors: 1,5-Diarylimidazoles
Int. J. Mol. Sci. 2006, 7(7), 220-229; doi:10.3390/i7070220
Received: 12 June 2006 / Accepted: 21 July 2006 / Published: 26 July 2006
Cited by 14 | PDF Full-text (266 KB) | HTML Full-text | XML Full-text
Abstract
Self-organizing molecular field analysis (SOMFA), a simple three-dimensionalquantitative structure–activity relationship (3D-QSAR) method is used to study the correlationbetween the molecular properties and the anti-inflammatory biological activities of a new series of1,5-Diarylimidazoles that act as selective COX-2 inhibitors. The statistical results, cross-validated rCV
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Self-organizing molecular field analysis (SOMFA), a simple three-dimensionalquantitative structure–activity relationship (3D-QSAR) method is used to study the correlationbetween the molecular properties and the anti-inflammatory biological activities of a new series of1,5-Diarylimidazoles that act as selective COX-2 inhibitors. The statistical results, cross-validated rCV2 (0.507) and non cross-validated r2 (0.546), show a satisfied predictive ability. Full article
Open AccessArticle The Electronic Structure of the Nitrogen Atoms of Allyl (5- pyridin-2-yl-[1,3,4]-thiadiazol-2-yl)-amine
Int. J. Mol. Sci. 2006, 7(7), 231-254; doi:10.3390/i7050231
Received: 28 February 2006 / Revised: 18 May 2006 / Accepted: 20 May 2006 / Published: 28 June 2006
Cited by 2 | PDF Full-text (404 KB)
Abstract The resonance structures of allyl-(5-pyridin-2-yl-[1,3,4]-thiadiazol-2-yl)-aminehave been determined by means of its 1H- (100 MHz, 500 MHz) 13C- and 15N-NMRspectra and B3LYP/6-31G* computations. The tautomeric equilibrium of this compoundhas been observed in the 1H-NMR spectra (100 MHz). Full article

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