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Good quality ab initio calcns. (MP2) show that the water adducts of BX3 and CX3+ have totally different structures (X = F-I). While all H2O-BX3 complexes have classical Cs sym. structures with strong B-O bonds and addnl. H-bonding, the heavier CX3+ cations ...
Neutral metallamacrocycles with four or ten metal centers were obtained by reaction of [(R3P)PdCl2]2 with 2,3-dihydroxypyridine and derivatives or 2-hydroxynicotinic acid in the presence of base. In all these assemblies, the two O-donor atoms of the ligand ...
Chaotropic agents are cosolutes that can disrupt the hydrogen bonding network between water molecules and reduce the stability of the native state of proteins by weakening the hydrophobic effect. In this work, we represent the chaotropic agent as a factor ...
Electronic states and solvation of Cu and Ag aqua ions are investigated by comparing the Cu2+ + e- -> Cu+ and Ag2+ + e- -> Ag+ redox reactions using d. functional-based computational methods. The coordination no. of aq. Cu2+ is found to fluctuate between 5 ...
The reaction of Pd(cod)Cl-2 (cod = cycloocta-1,5-diene) with 1 and 2 equiv. of rac-diphenyl[2.2]paracyclophanylphosphine, rac-PPh2(C16H15), affords the dimer Pd{PPh2(C16H15)}Cl-2 (1) and the square-planar complex trans-Pd{PPh2(C16H15)}(2)Cl-2 (2), res ...
The invention relates to nanoparticles based on a metal, on a metal alloy or on a metal derivative coated with a silica layer, in which the silica is crystalline silica, in particular crystalline silica in the cristobalite form. They may be prepared from n ...
To investigate the mechanism of structural changes of a peptide nanotube and water confined inside the channel, the helical peptide tryptophylglycine monohydrate (WG-H2O) was studied by molecular dynamics (MD) simulations using the three-dimension parallel ...
The crystal structure of a strontium-imidazolium polymeric material obtained from the reaction of zwitterionic 1,3-bis(carboxymethyl)-imidazolium with SrCO3 (2:1) in water is reported. The compound crystallized in the orthorhombic space group Pcc2 with a = ...
In 2003, the Nobel Assembly at the Karolinska Institute has awarded the Nobel Prize in Medicine or Physiology to Paul Lauterbur and Peter Mansfield for their seminal discoveries concerning the development of Magnetic Resonance Imaging (MRI), a non-invasive ...
