The design and synthesis of copper complexes that can reduce nitrite to NO has attracted considerable interest. They have been guided by the structural information on the catalytic Cu centre of the widespread enzymes Cu nitrite reductases but the chemically novel side-on binding of NO observed in all crystallographic studies of these enzymes has been questioned in terms of its functional relevance. ...

Although the catalytic carboxylation of unactivated alkyl electrophiles has reached remarkable levels of sophistication, the intermediacy of (phenanthroline)Ni(I)–alkyl species—complexes proposed in numerous Ni-catalyzed reductive cross-coupling reactions—has been subject to speculation. Herein we report the synthesis of such elusive (phenanthroline)Ni(I) species and their reactivity with CO₂, ...

Carbapenem resistance caused by metallo-β-lactamases is a serious global challenge that, if not tackled efficiently, is expected to lead to millions of deaths in the coming decades. Verona-integron encoded metallo-β-lactamase 2 (VIM-2) is a bacterial enzyme that has been reported from multidrug-resistant nosocomial isolates of Pseudomonas aeruginosa and other Gram-negative pathogens. As it hydrolyzes ...

Nickel norcorrole provides an unusual example of a molecule that is strongly antiaromatic according to the magnetic criterion, but which exhibits, according to high-quality DFT calculations, a symmetric, delocalized structure with no difference in bond length between adjacent C_meso-C_α bonds. A fragment molecular orbital analysis suggests that these discordant observations are ...

The global problem of microbial resistance to antibiotics has resulted in an urgent need to develop new antimicrobial agents. Natural antimicrobial peptides are considered promising candidates for drug development. Echinoderms, which rely on innate immunity factors in the defence against harmful microorganisms, are sources of novel antimicrobial peptides. This study aimed to isolate and characterise ...

Data analyses in the life sciences are moving from tools run on a personal computer to services run on large computing platforms. This creates a need to package tools and dependencies for easy installation, configuration and deployment on distributed platforms. In addition, for secure execution there is a need for process isolation on a shared platform. Existing virtual machine and container ...

Fuzzy c-means clustering (FCM) is a clustering method which is based on the partial membership concept. As with the other clustering methods, FCM applies a distance to cluster the data. While the Euclidean distance is widely-used to perform the clustering task, other distances have been suggested in the literature. In this paper we study the use of a weighted combination of metrics in FCM clustering ...

A one-pot protocol, effecting 14-fold bromination with elemental bromine, has afforded copper β-octabromo-meso-tris (2,6-dibromo-3,5-dimethoxyphenyl) corrole, a new bis-pocket metallocorrole. The Cu complex underwent smooth demetalation under reductive conditions, affording the free corrole ligand, which in turn could be readily complexed to MnIII and AuIII. A single-crystal X-ray structure was ...

A one-pot protocol, effecting 14-fold bromination with elemental bromine, has afforded copper beta-octabromo-meso-tris(2,6-dibromo-3,5-dimethoxyphenyl)corrole, a new bis-pocket metallocorrole. The Cu complex underwent smooth demetalation under reductive conditions, affording the free corrole ligand, which in turn could be readily complexed to Mn^III and Au^III.A single-crystal ...