Calculating Exact Charge & pI of Amino acids, Peptides and other Molecules
The book presents the mathematical aspects of calculating the exact charge and isoelectric pH (pI) of amino acids, peptides and other molecules including drugs and pH indicators.
The methods presented in this textbook are derived from the classical Henderson-Hasselbalch equation for weak acids and bases. They can be applied to calculate the exact charge and pI of amino acids and peptides, and percentage and fraction abundance of the uncharged, ionized and zwitterion forms of the amino acid at any specified pH. The use of Excel or similar data processing software is recommended while dealing with peptides and proteins. The methods can be extended to several applications like calculation of charge and ionization of drugs and pH indicators molecules, etc. It thus enables the user to quantify charge and ionization of any molecule bearing weakly acidic and basic groups, and subsequently apply it as needed in many fields, from the classrooms to research laboratories.
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