Activated oxygen intermediates during copper zinc superoxide dismutase (SOD) catalysis were investigated using an isotope fractionation technique and natural abundance reagents. Competitive oxygen kinetic isotope effects (KIEs) are reported for the enzyme-catalyzed disproportionation of superoxide as well as the stoichiometric reaction of reduced SOD with molecular oxygen. Analysis within the c...

Biomolecular complexes are often multimers fueling the demand for methods that allow unraveling their composition and geometric arrangement. Pulse electron paramagnetic resonance (EPR) spectroscopy is increasingly applied for retrieving geometric information on the nanometer scale. The emerging RIDME (relaxation-induced dipolar modulation enhancement) technique offers improved sensitivity in di...

La4Cu3MoO12 is a new (ABO3)n)4 cuprate with mixed B-cations in a ratio of 1:3. When synthesized at ambient pressure, the structure is not perovskite as expected but rather a homeotype of YAlO3, a rare-earth hexagonal phase. While the P63/mmc and Pmnm space groups can be used to model average structures which appear in quenched samples; powder, electron, and neutron diffraction data all confirm ...

High-energy-resolution-fluorescence-detected X-ray absorption near-edge structure (HERFD-XANES) spectroscopy is shown to be a sensitive tool to investigate the electronic changes of copper complexes induced by geometric distortions caused by the ligand backbone as a model for the entatic state. To fully exploit the information contained in the spectra gained by the high-energy-resolution techni...

Then cuIi = 0. Hence every c -̂Ii = 0, Ji = L44. But Ii is free of At. Hence h = Ö, I = 0, £ = 0. THEOREM. Every linear covariant of q± is a linear function ofL,A4L,KL. Next, let co > 1. After subtracting from C a constant multiple of qJJ*", whose leader is b^u, we have d = 0 in S. Express S± as a polynomial in c^, cw, fei, and call p the coefficient of their product. The coefficient of c^Cis in...

The magnetic structure of the [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4.2.5 H2O crystal -- using fractional coordinates determined at room-temperature -- has been analysed in detail. This analysis has been carried out by extending our first principles bottom-up theoretical approach, which was initially designed to study through-space magnetic interactions, to handle through-bond magnetic interaction...

In the title compound, [Cu(CH3COO)2(C9H8N2O)2] n , the CuII ion resides on a centre of inversion, displaying a tetra-gonally distorted octa-hedral coordination environment defined by two pairs of N and O atoms of symmetry-related 4-(1H-imidazol-1-yl)phenol ligands and the O atoms of two symmetry-related acetate ligands. The bridging mode of the 4-(1H-imidazol-1-yl)phenol ligands is associated w...