Ligand Exchange Processes on Solvated Zinc Cations - DFT Analysis of Hydrogen Cyanide Exchange on [Zn(HCN)6]2+

DFT studies on the magnetic exchange across the cyanide bridge.

Exchange coupling across the cyanide bridge in a series of novel cyanometalate complexes with CuII-NC-MIII (M = Cr and low-spin Mn, Fe) fragments has been studied using the broken-symmetry DFT approach and an empirical model, which allows us to relate the exchange coupling constant with sigma-, pi-, and pi*-type spin densities of the CN- bridging ligand. Ferromagnetic exchange is found to be do...

Development of a new method based on chiral ligand-exchange chromatography for the enantioseparation of propranolol

A new chromatographic procedure was proposed for the separation of propranolol (PRN) enantiomers based upon enantioselective chiral ligand-exchange chromatography. The separation was carried out on a short C8 column leading to considerably short separation time. L-alanine and Cu2+ were applied as chiral selector and central bivalent complexing ion, respectively. It was found that the kind of co...

Gadolinium-hydrogen Ion Exchange on Zirconium Phosphate

Development of a new method based on chiral ligand-exchange chromatography for the enantioseparation of propranolol

A new chromatographic procedure was proposed for the separation of propranolol (PRN) enantiomers based upon enantioselective chiral ligand-exchange chromatography. The separation was carried out on a short C8 column leading to considerably short separation time. L-alanine and Cu2+ were applied as chiral selector and central bivalent complexing ion, respectively. It was found that the kind of co...

Effects of co-operative ligand binding on protein amide NH hydrogen exchange.

Amide protection factors have been determined from NMR measurements of hydrogen/deuterium amide NH exchange rates measured on assigned signals from Lactobacillus casei apo-DHFR and its binary and ternary complexes with trimethoprim (TMP), folinic acid and coenzymes (NADPH/NADP(+)). The substantial sizes of the residue-specific DeltaH and TDeltaS values for the opening/closing events in NH excha...