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. 2023 Dec 18;15(3):1106–1116. doi: 10.1039/d3sc05790a

Chemical reactions of CSH/CSSC systems used to simulate the stochastic kinetics.

Number Reaction Forward rate constant Reverse rate constant
1 CSH + OH ⇌ CS + H2O k CSH = 10pH−pKakCSHr k CSH = rD(CSH)/V
2 CS + H2O2 → CSOH + OH k 3 = 25 M−1 s−1
3 CS + CSOH → CSSCsol + OH k 4 = 720 M−1 s−1 [4]
4 CSSCsol ⇌ CSSCfib k 7 = 1.46 × 10−17 M−1 s−1 k sp = 1000 M−1 s−1
5 DTT + OH ⇌ DTT + H2O k DTT = 10pH−pKakDTTr k DTT = rD(DTT)/V
6 DTT + CSSCsol → DTTSC + CS k 6 = 5 M−1 s−1
7 DTT + CSOH → DTTSC + OH k 5 = 10 M−1 s−1
8 DTTSC → DTTcyc + CSH k d = 2.83 × 10−17 M−1 s−1
9 DTT + H2O2 → DTTOH + OH k 1 = 0.0046 M−1 s−1
10 DTTOH → DTTcyc + OH k d = 2.83 × 10−17 M−1 s−1
11 2CSSCsol → 2CSSCfib k 7 = 1.46 × 10−17 M−1 s−1