Table 2.

Dynamic molecular properties and thermodynamic state functions for the three therapeutic 22-mer, 25-mer, and 30-mer PMOs

Parameter	22-mer PMO	25-mer PMO	30-mer PMO
$X$, nm	1.6 ± 0.5	3.2 ± 1.0	2.8 ± 0.9
$R_g$, nm	1.48 ± 0.19	1.4 ± 0.1	1.7 ± 0.1
$N_{BP}$	3.3 ± 0.9	5.9 ± 1.1	6.4 ± 4.2
$N_{BS}$	6.5 ± 3.6	8.3 ± 3.2	8.7 ± 3.0
SASA, Å2	4,538 ± 248	4,819 ± 158	5,945 ± 341
$\left[\eta \right]$, cm3/g	4.5 ± 0.6	4.7 ± 0.6	6.2 ± 0.8
$k_H$	4.5	9.9	3.8
$\Delta G$, kcal/mol	−34/−46 (−37 ± 23)	−51/−51 (−58 ± 20)	−50/−69 (−53 ± 33)
$T\Delta S$, kcal/mol	−23/−46 (−24 ± 7)	−38/−57 (−33 ± 14)	−53/−68 (−48 ± 20)
$\Delta H$, kcal/mol	−57/−92 (−62 ± 38)	−89/−108 (−79 ± 60)	−103/−137 (−105 ± 60)

Shown are the following ensemble average quantities (and standard deviations) determined from the principal solution conformers for each PMO: the end-to-end distance $X$, radius of gyration $R_g$, total number of base pairs $N_{BP}$, total number of base stackings $N_{BS}$, SASA, intrinsic viscosity $\left[\eta \right]$, and Huggins constant $k_H$. Also shown are the changes in free energy $\Delta G$, entropy $T\Delta S$ (at $T=$ 300K), and enthalpy $\Delta H$ for ensemble average PMO solution structures. These quantities were calculated using the five or six most populated structures, which account for ∼90% of the total population. $\Delta G$, $T\Delta S$, and $\Delta H$ were calculated using the PMOs’ unfolded structures and extended structures (Figure 1B; separated by a slash) as the reference states (Figure 1C). Also shown are the average values and standard deviations of $\Delta G$, $T\Delta S$, and $\Delta H$ extracted from the histograms displayed in Figure S7 using the unfolded structures as the reference states (shown in parentheses). The Huggins constant $k_H$ is obtained from the fit of the Einstein formula given by Equation 3 into the experimental data points.