The calculated rates (WPl = (2.5 ± 1.2) × 10−14 mol m−2 s−1) are consistent with previous reports and with results of experimental kinetic models.
Activated complex reaction theory yields an enthalpy and entropy of activation of 48 ± 2 kJ/mol and −125 ± 7 J/(mol K), respectively, consistent with an SN2 reaction mechanism.
We therefore consider GIPAW calculations on the first four lowest energy structures I, J, K, and L, all of which are of OLH-type and have relative energies in the range of 0 8.8 kJ·mor–1 (or 0−4.4 kJ/(mol of H)), consistent with the possibility of thermal excitations being trapped in the system and the uncertainty in DFT energies and neglected vibrational energies mentioned earlier.
The alkoxyamine dissociation equilibrium constant values determined for polyBA-TITNO (8.5 × 10−11 mol L−1 at 90 °C) and polystyrene-TITNO (3.1 × 10−9 mol L−1 at 70 °C) are consistent with those required for control when using more established nitroxides that require higher temperatures to achieve these values.
The detection limits were established to be 89, 2 and 36 × 10−9 mol dm−3 respectively, which is consistent with the increased sensitivity of nanoelectrode systems compared to larger electrodes.
Notably, structural data (e.g. Zhou et. al., Science 2013) and kinetic experiments (e.g. Munro et. al., Nat. Struct. Mol. Biol. 2010) are consistent with this model.
Also, it has a unique positive ΔS* ~ 60 J mol-1 K-1 which is consistent with the formation of several species upon the sudden decomposition.
Up to 50 mol% occupancy of PEG, the results are consistent with prior reports demonstrating the linear relationship between the hydrodynamic diameter of nanoparticles and PEG density [19].
Our assembled chromosome sequence contains 7903895 bp, with a mol% G + C content of 73%%, consistent with other members of the genus Streptomyces.
At the highest PCB 61 concentration tested only 3.3 × 10 11 mol of PCB 61 was reduced, which is consistent with the lack of detectable growth.
