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The pH-dependence of the activity displayed by enzymes and the pH-dependence of protein stability, for example, are properties that are determined by the pK a values of amino acid side chains. The p K a values of an amino acid side chain in solution is typically inferred from the p K a values of model compounds (compounds that are similar to ...
The Henderson–Hasselbalch equation can be used to model these equilibria. It is important to maintain this pH of 7.4 to ensure enzymes are able to work optimally. [10] Life threatening Acidosis (a low blood pH resulting in nausea, headaches, and even coma, and convulsions) is due to a lack of functioning of enzymes at a low pH. [10]
In particular, the pH of a solution can be predicted when the analytical concentration and pK a values of all acids and bases are known; conversely, it is possible to calculate the equilibrium concentration of the acids and bases in solution when the pH is known. These calculations find application in many different areas of chemistry, biology ...
The pH of a solution of a monoprotic weak acid can be expressed in terms of the extent of dissociation. After rearranging the expression defining the acid dissociation constant, and putting pH = −log 10 [H +], one obtains pH = pK a – log ( [AH]/[A −] ) This is a form of the Henderson-Hasselbalch equation. It can be deduced from this ...
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. Calculation of the pH with a polyprotic acid requires a speciation calculation to be performed. In the case of citric acid, this entails the solution of the two ...
Finally, using the Henderson-Hasselbalch equation, and knowing the drug's (pH at which there is an equilibrium between its ionized and non-ionized molecules), it is possible to calculate the non-ionized concentration of the drug and therefore the concentration that will be subject to absorption:
For weak acid solutions, it depends on the degree of dissociation, which may be determined by an equilibrium calculation. For concentrated solutions of acids, especially strong acids for which pH < 0, the H 0 {\displaystyle H_{0}} value is a better measure of acidity than the pH.
Partition coefficients can be measured experimentally in various ways (by shake-flask, HPLC, etc.) or estimated by calculation based on a variety of methods (fragment-based, atom-based, etc.). If a substance is present as several chemical species in the partition system due to association or dissociation , each species is assigned its own K ow ...