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The outer coordination sphere is defined as that portion of the catalytic system that is beyond the second coordination sphere.
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With these methods, not only amino acid residues directly coordinating to copper, but also residues beyond the first coordination sphere have been changed.
There is also no evidence for backscattering from atoms beyond the first coordination shell.
Fits indicate that these differences are related to the number of metal backscatterers beyond the first coordination shell of oxygen atoms and not to large changes in interatomic distances (Table 6).
Evidence for scattering from atoms beyond the first coordination shell would be seen in multiple sine-wave oscillations in normalized spectra (i.e., "beat" patterns or shoulders on primary sine waves).
Using TOPOS and PLATON it is now possible to identify the essential hydrogen bonded connections beyond the first coordination sphere and therefore be able to visualise the simplified network structure.
The Cd O distance in the oxide component derived from EXAFS analysis (2.31 Å) is typical of cadmium oxide phases and oxygen-coordinated sorption complexes.[16, 30, 31] However, the lack of backscattering atoms beyond the first coordination shell suggests that the Cd O component is not a well crystallized solid.
X-band CW-EPR of Cu2+/Aβ1[isoAsp] 16 indicated the presence of only a single coordination mode with only subtle variation in linewidth between pH 6 8 (Figure 1), possibly due to pH-dependent structural changes beyond the first coordination sphere.
Beyond the first coordination sphere, the protein scaffold holds copper ligands together and forces trigonal geometry regardless of the oxidation state of copper, as suggested by the rack mechanism or the entatic state.
Section 24 describes modeling the structures of glasses which requires the calculation of bond valences for distances that extend beyond the first coordination sphere since this sphere is not well-defined in amorphous materials.
This is the second peak and hence corresponds to the second coordination shell.
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