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Title: Hydrogen/deuterium fractionation factors of the aqueous ligand of cobalt in Co(H sub 2 O) sub 6 sup 2+ and Co(II)-substituted carbonic anhydrase

Journal Article · · Journal of the American Chemical Society; (USA)
DOI:https://doi.org/10.1021/ja00189a052· OSTI ID:5174925
;  [1]
  1. Univ. of Florida, Gainesville (USA)

The authors have measured the hydrogen/deuterium fractionation factor for the rapidly exchanging, water ligands of cobalt in Co(H{sub 2}O){sub 6}{sup 2+} and in two Co(II)-substituted isozymes of carbonic anhydrase. The fractionation factor was determined from NMR relaxation rates at 300 MHz of the protons of water in mixed solutions of H{sub 2}O and D{sub 2}O containing these complexes. In each case, the paramagnetic contribution to 1/T{sub 2} was greater than to 1/T{sub 1}, consistent with a chemical shift mechanism affecting 1/T{sub 2}. The fractionation factors obtained from T{sub 1} for Co(H{sub 2}O){sub 6}{sup 2+} and for the isozymes of Co(II)-substituted carbonic anhydrase were close to the fractionation factor for bulk water which is unity. The fractionation factors obtained from T{sub 2} were 0.73 {plus minus}0.02 for Co(H{sub 2}O){sub 6}{sup 2+} and 0.72 {plus minus} 0./02 for Co(II)-substituted carbonic anhydrase I, with a value of 0.77 {plus minus} 0.01 for isozyme II. They concluded that fractionation factors in these cases determined from T{sub 1} and T{sub 2} measured isotope preferences for different populations of ligand sites. They suggest that since T{sub 2} has a large contribution from a chemical shift mechanism, the fractionation factor determined from T{sub 2} has a large contribution of the fractionation of inner-shell ligands. The fractionation factors determined from T{sub 1} are close to unity, the value of the fractionation factor of bulk water, and contain a large contribution of the fractionation of outer-shell water.

OSTI ID:
5174925
Journal Information:
Journal of the American Chemical Society; (USA), Vol. 111:7; ISSN 0002-7863
Country of Publication:
United States
Language:
English