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John S Williamson

Publications and source records attributed to John S Williamson.

5 recordsLinked to original sources
PubMed2006

Rate constants for the reactions of CO3- and O3- with SO2 from 300 to 1440 K.

Rate constants for the reactions of CO(3) (-) and O(3) (-) with SO(2) have been measured between 300 and 1440 K in a high temperature flowing afterglow apparatus. The CO(3) (-) rate constants near to the collision rate at low temperatures and fall by about a factor of 50 with temperature until a broad minimum is reached at 900-1300 K. The highest temperature point shows the increasing rate constant. Comparison to drift tube data taken in a helium buffer shows that total energy controls the reactivity, presumably because the reaction goes through a long lived complex even at 1440 K. The reaction of O(3) (-) with SO(2) was studied up to 1400 K. The rate constant is collisional until 700 K and then decreases with increasing temperature. Rate constants measured at 1300 and 1400 K appear to show an increase, but that observation is questionable since O(3) (-) could not be made cleanly. The O(3) (-) data at 1200 K and below show that total energy controls reactivity in that range.

Journal Article↗
PubMed2005

Microbial transformation of artemisinin to 5-hydroxyartemisinin by Eurotium amstelodami and Aspergillus niger.

Transformation of the anti-malarial drug artemisinin by the fungi Eurotium amstelodami and Aspergillus niger were investigated. Cultures were grown in sucrose/malt broth with artemisinin for 14 days and extracted with ethyl acetate. Extracts were characterized by liquid chromatography. Two metabolites from each fungal extract were isolated and identified using mass spectrometry and nuclear magnetic resonance. 5Beta-hydroxyartemisinin and 7beta-hydroxyartemisinin were isolated in 63 and 32% yields, respectively, from the extract of E. amstelodami, and 80 and 19%, respectively, from the extract of A. niger.

Anti-Infective Agents↗
PubMed2004

Hydroxylation of 10-deoxoartemisinin by Cunninghamella elegans.

The microbial metabolism of 10-deoxoartemisinin (1), a derivative of the antimalarial drug artemisinin, was investigated. Various strains of fungi were investigated for their ability to transform 1. Of these microorganisms, only Cunninghamella elegans was capable of transforming 1 to 5beta-hydroxy-10-deoxoartemisinin (2), 4alpha-hydroxy-1,10-deoxoartemisinin (3), and 7beta-hydroxy-10-deoxoartemisinin (4). The metabolites 2 and 4 retained an intact peroxide group and are therefore useful scaffolds for synthetic modification in the search for new antimalarial agents.

Antimalarials↗
PubMed2002

Three-dimensional quantitative structure-activity relationship and comparative molecular field analysis of dipeptide hydroxamic acid Helicobacter pylori urease inhibitors.

A homology model of Helicobacter pylori urease was developed by using the crystal structure of urease from Klebsiella aerogenes (EC 3.5.1.5) as a template. The acetohydroxamic acid moiety was docked into the active pocket of the enzyme model, followed by relaxation of the complex by use of molecular dynamics. The resulting conformation was used as a template to construct 24 potential dipeptide hydroxamic acid inhibitors with which comparative molecular field analysis (CoMFA) was performed. The resulting model provided a cross-validation correlation coefficient (q(2)(L00)) of 0.610, a conventional r(2) value of 0.988, and an F (Fisher indication of statistical significance) value of 294.88. We were able to validate the CoMFA model by using the 50% inhibitory concentrations of six compounds that were not included in the construction of the model. A very good structural correlation was observed between the amino acids in the model urease's active pocket and the contour maps derived from the CoMFA model. This correlation, accompanied by the validation supplied by use of the CoMFA data, illustrates that the model can aid in the prediction and design of novel H. pylori urease inhibitors.

Computational Biology↗