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Between the two buffer regions there is an end-point, or equivalence point, at about pH 3. This end-point is not sharp and is typical of a diprotic acid whose buffer regions overlap by a small amount: pK a2 − pK a1 is about three in this example. (If the difference in pK values were about two or less, the end-point would not be noticeable ...
FDPB-based methods calculate the change in the pK a value of an amino acid side chain when that side chain is moved from a hypothetical fully solvated state to its position in the protein. To perform such a calculation, one needs theoretical methods that can calculate the effect of the protein interior on a p K a value, and knowledge of the pKa ...
Speciation of ions refers to the changing concentration of varying forms of an ion as the pH of the solution changes. [1]The ratio of acid, AH and conjugate base, A −, concentrations varies as the difference between the pH and the pK a varies, in accordance with the Henderson-Hasselbalch equation.
When the difference between successive pK a values is less than about 3, there is overlap between the pH range of existence of the species in equilibrium. The smaller the difference, the more the overlap. In the case of citric acid, the overlap is extensive and solutions of citric acid are buffered over the whole range of pH 2.5 to 7.5.
This equation can be used to calculate the value of log K at a temperature, T 2, knowing the value at temperature T 1. The van 't Hoff equation also shows that, for an exothermic reaction ( Δ H < 0 {\displaystyle \Delta H<0} ), when temperature increases K decreases and when temperature decreases K increases, in accordance with Le Chatelier's ...
log 10 β values between about 2 and 11 can be measured directly by potentiometric titration using a glass electrode. This enormous range of stability constant values (ca. 100 to 10 11) is possible because of the logarithmic response of the electrode. The limitations arise because the Nernst equation breaks down at very low or very high pH.
A major use of the integrated equation is to estimate a new equilibrium constant at a new absolute temperature assuming a constant standard enthalpy change over the temperature range. To obtain the integrated equation, it is convenient to first rewrite the Van 't Hoff equation as [ 2 ]
The equilibrium is not complete because the acidity difference between guanidinium and water is not large. The approximate pK a values: 13.6 vs 15.7. Complete deprotonation should be done with extremely strong bases, such as lithium diisopropylamide. C(NH 2) + 3 Cl − + Li + N(C 3 H 7) − 2 → HNC(NH 2) 2 + HN(C 3 H 7) 2 + LiCl