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John Delaney

Publications and source records attributed to John Delaney.

5 recordsLinked to original sources

Modern agrochemical research: a missed opportunity for drug discovery?

The word "agrochemical" has often taken on a pejorative character in the public mind. Some of the negative tone might have coloured the perception of the industry by pharma, together with views on the chemical nature of agrochemicals that seem to be based on older pesticides that date back to the 1950s and 1960s. In this review, we try to address some of these concerns, draw out the similarities between agrochemical and pharmaceutical research and highlight opportunities for drug discovery that are offered by pesticide-related compounds, particularly with regard to herbicides and compounds with leadlike physical properties.

Agrochemicals↗

Tongue entrapment in an aluminum juice can.

Tongue entrapment in bottles and cans is rare, but occurs. The following is a case report of a 10-year-old female who got her tongue entrapped in an aluminum juice can. The anatomy of the tongue, complications from injury, and a proposed removal procedure are described.

4-Aminobenzoic Acid↗

The use of trans-vinylene formation in quantifying the spatial distribution of electron beam penetration in polyethylene. Single-sided, double-sided and shielded irradiation.

The use of the quantification of trans-vinylene unsaturations in irradiated ultrahigh molecular weight polyethylene (UHMWPE) in determining the spatial distribution of electron beam penetration was investigated. UHMWPE was irradiated with a 10MeV linear electron beam accelerator to 100kGy at both room temperature and 125 degrees C in air. The irradiation was carried out in shielded and unshielded single-sided and unshielded double-sided irradiation modes. Dose-depth profiles were measured by quantifying the yields of trans-vinylene unsaturations as a function of depth away from the e-beam incidence surfaces using infrared spectroscopy. The extent of beam penetration increased with increasing irradiation temperature as was manifested by the increase in the iso-dose penetration with the unshielded single-sided irradiation and increased dose overlap with the unshielded double-sided irradiation. The optimum thickness with maximum uniformity in dose-depth distribution for double-sided irradiation was 85 and 90mm for 25 degrees C and 125 degrees C irradiation temperatures, respectively.

Biocompatible Materials↗

Gradient crosslinking of UHMWPE using irradiation in molten state for total joint arthroplasty.

Increased crosslink density increases the wear resistance of ultra-high molecular weight polyethylene (UHMWPE) acetabular components used in total hip reconstructions. However, increasing crosslink density can reduce the mechanical properties of UHMWPE. Other researchers have tried to limit the crosslinking to a superficial layer on the articulating surfaces to retain the properties of the virgin polymer. We present here a method of producing a gradient of crosslink density across the acetabular component. Acetabular liners with 26 mm inner diameter were machined from the UHMWPE. The liners were then irradiated at 140 degrees C in the molten state of the polymer using a 2 MeV electron beam with limited penetration of the effects of radiation into polyethylene. The liners were then machined to an inner diameter of 32 mm to remove the radiation induced oxidized surface layer. The limited penetration of the e-beam resulted in a gradient of crosslink density with a crosslink density of 0.15 +/- 0.01 mol/dm3 near the articulating surfaces and 0.12 +/- 0.01 mol/dm3 near the backside. The concentration of the trans-vinylene unsaturations decreased gradually as a function of depth from the articulating surfaces to the backside of the liners. The wear resistance of the melt-irradiated liners was contrasted with those of conventional liners using the Boston hip simulator. The gravimetric wear rate was 27 +/- 5 mg million cycles with the conventional liners, while the melt-irradiated acetabular liners did not show any weight loss.

Acetabulum↗

Virtual screening using binary kernel discrimination: analysis of pesticide data.

This paper discusses the use of binary kernel discrimination (BKD) for identifying potential active compounds in lead-discovery programs. BKD was compared with established virtual screening methods in a series of experiments using pesticide data from the Syngenta corporate database. It was found to be superior to methods based on similarity searching and substructural analysis but inferior to a support vector machine. Similar conclusions resulted from application of the methods to a pesticide data set for which categorical activity data were available.

Algorithms↗