In this work, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover, new results are also included here. They correspond to the generation of a metallic state by mixing insulators in a multilayer geometry, using the Hubbard and doubl...

Thermodynamic features related to preparation and use of self-assemblies formed between multilamellar and unilamellar zwitterionic liposomes and polynucleotides with various conformation and sizes are presented. The divalent metal cation or surfactant-induced adsorption, aggregation and adhesion between single- and double-stranded polyribonucleotides and phosphatidylcholine vesicles was followe...

Thermodynamic features related to preparation and use of self-assemblies formed between multilamellar and unilamellar zwitterionic liposomes and polynucleotides with various conformation and sizes are presented. The divalent metal cation or surfactant-induced adsorption, aggregation and adhesion between single- and double-stranded polyribonucleotides and phosphatidylcholine vesicles was followe...

be optimized. [ 7–12 ] In general, very little design guidelines are available to preselect high-capacity electrode materials, and the search for novel cathodes has been largely by trial and error. Here, we show that there is a welldefi ned relation between the composition, transition-metal ordering, and the diffusion kinetics of lithium intercalation. Mapping the confi gurational space of orde...

Good quality, highly monodispersed capped copper metal nanoparticles have been synthesised in a non-hydrolytic approach using thermal decomposition of the Cu(II) precursor [Cu(OCH(Me)CH2NMe2)2] in a hot coordinating solvent without further reducing agents; the copper nanoparticles have been characterised by optical spectroscopy (UV/VIS), electron microscopy (TEM), electron diffraction (SAED), a...

In an effort to probe for metal binding to metallo-β-lactamase (MβL) IMP-1, the enzyme was overexpressed, purified, and characterized. The resulting enzyme was shown to bind 2 equiv of Zn(II), exhibit significant catalytic activity, and yield EXAFS results similar to crystallographic data previously reported. Rapid kinetic studies showed that IMP-1 does not stabilize a nitrocefin-derived reacti...

Abstract This report describes the unprecedented electrooxidation of a solvent (e.g., DMF)‐ligated B 2 cat complex, whereby solvent‐stabilized boryl radical is formed via quasi‐homolytic cleavage B−B bond in DMF‐ligated cation. Cyclic voltammetry and density functional theory provide evidence to support this novel activation strategy. Furthermore, strategy for electrochemical gem ‐diborylation ...

A proton NMR method for the drtermination of salvation numbers of alkaline earth cations with hexamethyl phosphoramide (HMPA) in nitromethane (NM) as diluents is described. The method is based on monitoring the resonance frequency of HMPA protons as a function of HMPA / metal ion molar ratio at constant metalion concentration. The average salvation number of cations,  , at any HMPA / metal ...

An attractive strategy for the development of photocatalytic metal organic framework (MOF) materials is to co-encapsulate a photoactive electron donor with a catalytic electron acceptor within the MOF. Here we report the co-encapsulation of both Zn(ii) tetrakis(tetra 4-sulphonatophenyl)porphyrin (Zn4SP) and Fe(iii) tetrakis(tetra 4-sulphonatophenyl)porphyrin (Fe4SP) into an HKUST-1 (Zn) MOF and...