. Author manuscript; available in PMC: 2015 Aug 14.

Published in final edited form as: Phys Chem Chem Phys. 2014 Aug 14;16(30):15846–15855. doi: 10.1039/c4cp01050g

Table 4.

All the linear relationships discovered in RNA transesterification model reactions.

Model	y	x	m	b	r
UFF	logk¹	pK_a	−0.54	7.50	−0.98
	logk²	pK_a	−2.04	27.77	−0.96
	logK_eq	pK_a	−2.44	41.01	−0.93

	$R_{P - Nu}^{1}$	logk¹	−0.0190	2.67	−0.98
	$R_{P - Nu}^{1}$	pK_a	−0.0142	2.53	−0.98
	$R_{P - Lg}^{1}$	logk¹	−0.0096	1.90	−0.97
	$R_{P - Lg}^{1}$	pK_a	−0.0073	1.83	−0.98
	$N_{P - Nu}^{1}$	logk¹	0.0152	−0.82	0.97

	$N_{P - Nu}^{1}$	pK_a	0.0114	−0.71	0.97
	$N_{P - Lg}^{1}$	logk¹	0.0109	−0.30	0.98
	$N_{P - Lg}^{1}$	pK_a	0.0083	−0.22	0.99
UAKS	logk¹	pK_a	−0.52	6.85	−0.98
	logk²	pK_a	−1.37	17.84	−0.93
	logK_eq	pK_a	−1.74	36.05	−0.95

	$R_{P - Nu}^{1}$	logk¹	−0.0216	2.66	−0.95
	$R_{P - Nu}^{1}$	pK_a	−0.0163	2.50	−0.98
	$R_{P - Lg}^{1}$	logk¹	−0.0090	1.89	−0.97
	$R_{P - Lg}^{1}$	pK_a	−0.0067	1.82	−0.98

	$N_{P - Nu}^{1}$	logk¹	0.0175	−0.81	0.95
	$N_{P - Nu}^{1}$	pK_a	0.0131	−0.68	0.97
	$N_{P - Lg}^{1}$	logk¹	0.0107	−0.29	0.97
	$N_{P - Lg}^{1}$	pK_a	0.0080	−0.21	0.99

These linear relationships are characterized by a linear equation, y=mx+b, together with the corresponding correlation coefficients, r. The unit of bond length R is Angstrom (Å).