. 2021 Jan 15;37(4):1511–1520. doi: 10.1021/acs.langmuir.0c03050

Table 2. Experimentally Measured Surface Complex Formation Constants of Nucleotides and Orthophosphate (in logK Units) vs Theoretically Calculated Complexation Energies (E_com).

nucleotide	surface reactions	logK ± 0.05	E_com (kcal·mol^–1)
AMP	≡S—NH₃⁺ + H₂L^± ↔ ≡S—NH₃ H₂L^±	3.18	–15.3
AMP	≡S—NH₃⁺ + HL^– ↔ ≡S—NH₃ HL^–	3.31	–15.4
CMP	≡S—NH₃⁺ + H₂L^± ↔ ≡S—NH₃ H₂L^±	2.96	–14.1
CMP	≡S—NH₃⁺ + HL^– ↔ ≡S—NH₃ HL^–	3.28	–14.0
GMP	≡S—NH₃⁺ + HL^– ↔ ≡S—NH₃ HL^–	3.22	–16.1
IMP	≡S—NH₃⁺ + HL^– ↔ ≡S—NH₃ HL^–	3.27	–16.6
UMP	≡S—NH₃⁺ + HL^– ↔ ≡S—NH₃ HL^–	2.69	–11.5
OMP	≡S—NH₃⁺ + HL^2– ↔ ≡S—NH₃ HL^2–	3.03	–16.6
ADP	≡S—NH₃⁺ + H₂L^– ↔ ≡S—NH₃ H₂L^–	3.21	–16.1
ADP	≡S—NH₃⁺ + HL^2– ↔ ≡S—NH₃ HL^2–	3.52	–20.8
ATP	≡S—NH₃⁺ + H₂L^2– ↔ ≡S—NH₃ H₂L^2–	3.38	–22.9
ATP	≡S—NH₃⁺ + HL^3– ↔ ≡S—NH₃ HL^3–	4.02	–23.0
OP	≡S—NH₃⁺ + H₂L^– ↔ ≡S—NH₃ H₂L^–	2.39	–12.0

Table 2. Experimentally Measured Surface Complex Formation Constants of Nucleotides and Orthophosphate (in logK Units) vs Theoretically Calculated Complexation Energies (Ecom).