Table 1.
Equation Number | Compound(s) | Regressiona | R2 | Concentration Range (nM)b | Number of Data Points |
---|---|---|---|---|---|
Individual compounds
| |||||
Eq. 1 | Cu(II) | ROH = 0.0383×Ln([Cu]) + 0.009 | 0.95 | 0.8c – 10,000 | 14 |
Eq. 2 | Fe(II) | ROH = (−3.13×10−8)[Fe]2 + (6.86×10−4)[Fe] | 0.995 | 0 – 10,000 | 13 |
Eq. 3 | 1,2-NQN | ROH = 0.486×(1-exp(−0.0191*[1,2-NQN])) | 0.997 | 0 – 500 | 7 |
Eq. 4 | 1,4-NQN | ROH = (2.59×10−4) ×[1,4-NQN] | 0.94 | 0 – 500 | 4 |
Eq. 5 | PQN | ROH = 0.312×(1-exp(−0.0053×[PQN])) | 0.999 | 0 – 500 | 4 |
Mixtures of Fe, Cu and/or quinones | |||||
Eq. 6 | Mixture | ROH = 0.198×(RHOOH,Cu + 1.56×RHOOH,Q) + 8.64E-04×[Fe(II)] | 0.993 | n/a | 20 |
Where: | RHOOH,Cu is the rate of HOOH production from Cu in μM/hrd = 0.524×ln([Cu]) – 0.615 | ||||
RHOOH,Q is the sum of rates of HOOH from quinones in μM/hrd = 0.050×[1,2-NQN]+0.0052×[PQN]+0.0024×[1,4-NQN] |
ROH is the rate of .OH production in μM/hr and [X] is the concentration of redox-active chemical species in nM.
Regression equations may not be valid outside of the concentration ranges measured.
The Cu(II) regression equation goes to zero at 0.8 nM of Cu(II). .OH values should be assumed to be zero at copper concentrations below this.
The rates of HOOH production from Cu and quinones in Eq. 6 are regression equations from individual species measured previously22.