The role of misorientation and phosphorus content on grain growth and intergranular fracture in iron-carbon-phosphorus alloys.

The relationship between the crystallography of intergranular fracture and phosphorus segregation has been investigated in a Fe-0.06wt%P-0.002wt%C alloy aged for 1 h at temperatures between 600 degrees C and 1000 degrees C. Two novel techniques were devised for the investigation: first, electron back-scatter diffraction (EBSD) across the reconstructed fracture surface and, second, a combination of Auger electron spectroscopy, stereophotogrammetry and microscopy to measure phosphorus and carbon on fracture facets combined with EBSD measurements direct from the fracture surface. In total, 700 misorientations were measured from across the reconstructed fracture surface and in 'control' areas away from the fracture. It was found that Sigma 3s were in general more resistant to brittle fracture than were random boundaries, and it was suggested that alloys of this type could be grain boundary engineered to improve fracture resistance by a short anneal in the austenite region to increase the final proportion of Sigma 3s. Sixteen fracture facets yielded combined Auger/EBSD data. The combined Auger/EBSD methodology to acquire joint crystallographic and segregation information from facets was shown to be feasible, although laborious. There were significantly more [110] planes than any other type in the sample population of facets from which combined segregation/crystallography data had been collected. The data suggested that there was on average lower phosphorus segregation on fracture facets that were near [110] than on other intergranular fracture facets.

2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.

A series of 2-amino-5-arylthiobenzonitriles (1) was found to be active against HIV-1. Structural modifications led to the sulfoxides (2) and sulfones (3). The sulfoxides generally showed antiviral activity against HIV-1 similar to that of 1. The sulfones, however, were the most potent series of analogues, a number having activity against HIV-1 in the nanomolar range. Structural-activity relationship (SAR) studies suggested that a meta substituent, particularly a meta methyl substituent, invariably increased antiviral activities. However, optimal antiviral activities were manifested by compounds where both meta groups in the arylsulfonyl moiety were substituted and one of the substituents was a methyl group. Such a disubstitution led to compounds 3v, 3w, 3x, and 3y having IC50 values against HIV-1 in the low nanomolar range. When gauged for their broad-spectrum antiviral activity against key non-nucleoside reverse transcriptase inhibitor (NNRTI) related mutants, all the di-meta-substituted sulfones 3u-z and the 2-naphthyl analogue 3ee generally showed single-digit nanomolar activity against the V106A and P236L strains and submicromolar to low nanomolar activity against strains E138K, V108I, and Y188C. However, they showed a lack of activity against the K103N and Y181C mutant viruses. The elucidation of the X-ray crystal structure of the complex of 3v (739W94) in HIV-1 reverse transcriptase showed an overlap in the binding domain when compared with the complex of nevirapine in HIV-1 reverse transcriptase. The X-ray structure allowed for the rationalization of SAR data and potencies of the compounds against the mutants.