Deriving the pH at the Minimum of a pH/Rate Profile for Drug Degradation

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SUMMARY

The discussion focuses on deriving the pH at the minimum of a pH/rate profile for drug degradation, specifically for a drug D undergoing hydrolysis. The rate of degradation is defined by the first-order equation rate = kobs(D), where kobs = Kh[H+] + Ko = Koh[OH-]. To find the minimum pH, participants suggest differentiating the rate equation, finding its roots, and using second differentiation to determine the nature of these roots. The final pH equation is expressed as pH = pKa + log(ionized/unionized), with ionized concentrations being [OH-] and/or [H+].

PREREQUISITES
  • Understanding of first-order reaction kinetics
  • Basic calculus for differentiation and finding roots
  • Knowledge of acid-base chemistry, specifically pH and pKa concepts
  • Familiarity with the definitions of Kobs, Kh, and Koh in the context of hydrolysis
NEXT STEPS
  • Study the derivation of first-order reaction kinetics in detail
  • Learn about the application of calculus in chemical kinetics
  • Explore the relationship between pH, pKa, and ionization in drug chemistry
  • Investigate the effects of temperature and concentration on hydrolysis rates
USEFUL FOR

Chemists, pharmacologists, and students studying drug degradation and kinetics will benefit from this discussion, particularly those interested in the mathematical modeling of chemical reactions.

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Homework Statement



The rate of degradation of a drug D that is subject to hydrolysis is given by the first order equation rate=kobs (D) where Kobs= Kh (H+) + Ko= Koh (OH-) Derive an equation for the pH at the minimum (pH)min of the pH/rate profile.


The Attempt at a Solution



From elementary calculus, I know that I need to first differentiate the rate equation, then find the roots of the differentiated equation. Take a second differentiation of the equation, put the roots into it and see whether it gives a positive or a negative value. The positive value gives you the (pH)min.
However...I'm not too sure how to do that with this sort of equation??

Thanks!
 
Last edited:
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Well, since this is not a chemistry or biology forum, you will need to tells us how the functions Kobs= Kh (H+) + Ko= Koh (OH-) are defined! It's been a long time since i took any chemistry.
 
Kobs= observed rate of reaction
Kh is the concentration of [H+]
Koh is the concentration of [OH-]
ko is the constant.

Rearrange... k=[H]+ko-[OH-]

pH=pKa + log [unionized/ionized] where ionized= [OH-] and/or[H+] and ionized [H20]

Hope this helps...
 

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