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. 2020 Sep 14;59(19):14000–14011. doi: 10.1021/acs.inorgchem.0c01773

Table 2. Stability Constants (log βa and pKa Values) of Cu(II) Complexes of Aβ5–9, Aβ5–12, and Aβ5–16 (L) at I = 0.1 M (KNO3), Determined by Potentiometry at 25 °Cb.

Species Log βa pKa Assignment Coordination Mode
5–9        
CuL 9.48(1)     3N+H2O
CuH–1L 5.66(1) 3.82 Asp7 3N+H2O
CuH–2L –3.69(1) 9.35 Equatorial H2O 3N+OH
Total 3N+H2O   3.61   3N+H2O
5–12        
CuH2L 23.72(3)     3N+H2O
CuHL 20.44(1) 3.23 Asp7 3N+H2O
CuL 15.76(1) 4.69 Glu11 3N+H2O
CuH–1L 6.29(2) 9.47 Tyr10/H2O 3N/Tyr10 and 3N+OH
CuH–2L –3.76(2) 10.05 H2O/Tyr10 3N+OH
Total 3N+H2O   3.66    
5–16        
CuH5L 46.00(2)     3N+H2O
CuH4L 42.79(1) 3.212 Asp7 3N+H2O
CuH3L 38.62(1) 4.169 Glu11 3N+H2O
CuH2L 33.46(1) 5.159 His13/14 3N+N
CuHL 26.11(2) 7.35 His13/14 3N+N
CuL 16.43(3) 9.68 Equatorial H2O/Tyr10/Lys16 3N+N/3N+OH
CuH–1L 6.56(3) 9.87    
CuH–2L –3.38(2) 9.94    
Cu2HL 31.50(1)      
Cu2L 25.37(1) 6.134 His13/14 N 3N+H2O + 2N
Cu2H–1L 19.08(1) 6.29   3N+H2O + 3N
Cu2H–2L 10.15(1) 8.93 Val12/Glu11 N 3N+H2O + 4N
Cu2H–3L 1.05(1) 9.1 Equatorial H2O 3N/OH- + 4N
Cu2H–4L –9.4(1) 10.45 Lys16/Tyr10 3N/OH- + 4N
Cu2H–5L –19.94(9) 10.54   3N/OH- + 4N
Total 3N+H2O   3.62    
a

β(CumHnL) = [MmHnL]/([M]m[L][H+]n).

b

Standard deviations on the last digits provided by HYPERQUAD,28 given in parentheses, represent statistical errors of constant determinations. Assignments are based on literature values.20,21,29,30 Coordination modes are derived from the analysis presented below.