The importance of relativistic effects in quantum chemistry is widely recognized, not only for heavier elements but throughout the periodic table. At the same time, relativistic effects are strongest in the nuclear region, where the description of electrons through a linear combination of atomic orbitals becomes more challenging. Furthermore, the choice of basis sets for heavier elements is ...

Using multivariate design and modelling, optimal conditions for electrodialytic remediation (EDR) of heavy metals were determined for polluted harbour sediments from Hammerfest harbour located in the geographic Arctic region of Norway. The comparative importance of the variables; current density, remediation time, light/no light, the liquid-solid ratio and stirring rate of the sediment suspension ...

Nonulosonic acid (NulO) biosynthesis in bacteria is directed by <i>nab</i> gene clusters that can lead to neuraminic, legionaminic or pseudaminic acids. Analysis of the gene content from a set mainly composed of <i>Aliivibrio salmonicida</i> and <i>Moritella viscosa</i> strains reveals the existence of several unique nab clusters, for which the NulO products were predicted. This prediction method ...

The synthesis and purification of water-soluble porphyrin-type compounds for photodynamic therapy and other medical applications is often a tedious exercise. Here, we have investigated the simple stratagem of adding a water-soluble axial ligand to the standard protocol for iridium insertion into simple meso-triarylcorroles. Early results showed that six-coordinate Ir[TpXPC](dna)2 derivatives, in ...

The Tohoku tsunami of March 2011 ejected a vast amount of debris into the Pacific Ocean. Wood boring shipworms (Bivalvia: Teredinidae) were either already present in, or settled on, the wooden fraction of this debris, offering a unique opportunity to study shipworm diversity in rafted wood of a known origin and time of ocean entry. Lumber and other wood began appearing on Central Pacific (Hawaiian ...

We highlight the important roles the direct spin–orbit (DSO) coupling, the spin-vibronic (SV) coupling, and the dielectric constant of the medium play on the reverse intersystem crossing (RISC) mechanism of TXO-TPA and TXO-PhCz molecules. To understand this complex phenomenon, we have calculated the RISC rate constant, kRISC, using a time-dependent correlation function-based method within the framework ...

A series of stable Pt(IV) corrole complexes with the general formula Pt^IV[TpXPC](<i>m/p</i>-C₆H₄CN)(py), where TpXPC^3– is the trianion of a tris(<i>p</i>-X-phenyl)corrole and X = CF₃, H, and CH₃, has been synthesized, affording key physicochemical data on a rare and elusive class of metallocorroles. Single-crystal X-ray structures of ...

Given the many applications of ruthenium porphyrins, the rarity of ruthenium corroles and the underdeveloped state of their chemistry are clearly indicative of an area ripe for significant breakthroughs. The tendency of ruthenium corroles to form unreactive metal–metal-bonded dimers has been recognized as a key impediment in this area. Herein, by exposing free-base meso-tris(p-X-phenyl)corroles, ...

CONSPECTUS: Porphyrin chemistry is Shakespearean: over a century of study has not withered the field’s apparently infinite variety. Heme proteins continually astonish us with novel molecular mechanisms, while new porphyrin analogues bowl us over with unprecedented optical, electronic, and metal-binding properties. Within the latter domain, corroles occupy a special place, exhibiting a unique ...