TABLE 1.

Rate constants, barrier heights, and enthalpies obtained from computer simulations of experimental T-jump kinetics

	Lactate				C2-d-Lactate
Rate constants	23.1°C	32.5°C	ΔG‡, kcal/mol	ΔH, kcal/mol	23.0°C	32.5°C	ΔG‡, kcal/mol	ΔH, kcal/mol
k1, M−1s−1	5.8 × 106	6.19 × 106	1.2	0.9	5.8 × 106	6.19 × 106	1.2	0.9
k−1, s−1	500	559	2.1		500	559	2.1
k2, M−1s−1	3.00 × 107	3.043 × 107	0.27	1.7	3.00 × 107	3.043 × 107	0.27	1.7
k−2, s−1	1.05 × 105	1.17 × 105	2.0		1.05 × 105	1.17 × 105	2.0
k3, s−1	430	940	14.8	−0.18	410	860	13.9	0.24
k−3, s−1	217	470	14.7		200	425	14.1
k4, s−1	700	1350	12.5	1.60	372	880	16.2	1.44
k−4, s−1	637	1337	14.1		343	876	17.6
k5, s−1	240	210	−2.5	5.1	355	350	−0.3	3.3
k−5, s−1	520	595	2.6		755	888	3.0
k6, s−1	750	1750	16.1	10.4	545	1430	18.1	8.4
k−6, M−1s−1	1.48 × 107	2.01 × 107	5.7		1.16 × 107	1.95 × 107	9.7
k7, s−1	32	90	19.4	9.5	32	90	19.4	9.5
k−7, M−1s−1	3.3 × 107	5.6 × 107	9.9		3.3 × 107	5.6 × 107	9.9

The reaction system: 0.46 mN LDH, 0.5 mM NAD⁺, and 5 mM lactate or C2-deuterated lactate. Fitting results are shown in bold; all other values are initial approximations. The number of significant digits does not represent precision of the absolute values. The errors evaluated from the spread of values through the number of nearly successful simulations are: k₃, ±40%; k₋₃ and k₋₆, ±30%; k₄ and k₋₄, ±20%; k₅ and k₋₅, ±50%; and k₆, ±15%.