Table 1. List of model parameters relating Cu-ATSM and FMISO uptake to tissue oxygen partial pressure.
Symbol | Parameter | Value | Reference | |
---|---|---|---|---|
ÃCuATSM | [61Cu]Cu-ATSM Molar Specific Activity |
237 MBq-μmol−1 | [24] | |
ÃFMISO | [18F]FMISO Molar Specific Activity |
75.0 (50.0–100.0) GBq-μmol−1 |
[25] | |
R | Gas Constant | 8.31 J-mol−1-K−1 | [27] | |
T | Cellular Temperature | 310 K | [31] | |
F | Faraday Constant | 96.5 kJ-mol−1-V−1 | [27] | |
|
SRPa: NAD(P)H → NAD(P)+ + H+, ne = 2 | −0.320 V | [16] | |
|
SRP: Cytochrome Reductase FAD Cofactor, ne = 1 |
−0.168 V | [32] | |
|
SRP: Cytochrome Reductase FMN Cofactor, ne = 1 |
−0.333 V | [32] | |
|
SRP: CuIIATSM → CuIATSM−, ne = 1 | −0.328 V | [16] | |
|
SRP: RNO2 → RNO2−, ne = 1 | −0.389 V | [12] | |
|
SRP: Complex I Nitroreductase, ne = 1 | −0.250 V | [33] | |
|
SRP: O2 → O2−, ne = 1 | −0.330 V | [34] | |
|
Free Energy Change: CuIATSM− + O2 → CuII ATSM + O2− | −22.8 kJ-mol−1 | [17] | |
|
Free Energy Change: CuIATSM− + H3O+ → CuIHATSM + H2O | −17.1 kJ-mol−1 | [30] | |
pH | Intracellular acidity in human squamous cell carcinomas | 7.20 (7.10–7.30) | [35] | |
[H2O] | Cellular water molar concentration | 55.3 mol-L−1 | [31] | |
KCR | LECb: Cu-ATSM reduction | −5.11 | Calculated | |
pKpH | LEC: Cu-ATSM protonation | 2.88 | Calculated | |
pKO2-Cu | LEC: Cu-ATSM reoxidation | 9.62 | Calculated | |
pKNR | LEC: FMISO reduction | −1.12 | Calculated | |
pKO2-F | LEC: FMISO reoxidation | 0.960 | Calculated | |
KH | Henry Coefficient for O2 dissolved in H2O at 310 K | 959 L-atm-mol−1 | Calculated |
SRP – standard reduction potential
LEC – log equilibrium constant