Simulation for a Hypothetical Host : Guest = 1 : 2 Complex with the Newton-Raphson Method

16 December 2024, Version 6
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We formulate a derivation of host : guest = 1 : N equilibrium model for the purpose of giving an alternative approach to deal with cooperative problems and carefully look at three cases of cooperativity factors given three different concentrations. This would take a minor assumption given a hypothetical host-guest complex. These works would help give an intuition for the researchers who evaluate binding constant and stoichiometry. We also considered Job plots often used in supramolecular host-guest chemistry.

Keywords

Simulation
Supramolecular
Newton-Raphson
Isotherm

Supplementary materials

Title
Description
Actions
Title
Supplementary Information
Description
Newton-Raphson method for titration simulation
Actions
Title
Positive Cooperativity Simulation
Description
Positive Cooperativity Simulation by Newton-Raphson method
Actions
Title
None Cooperativity Simulation
Description
None Cooperativity Simulation by Newton-Raphson method
Actions
Title
Negative Cooperativity Simulation
Description
Negative Cooperativity Simulation by Newton-Raphson method
Actions

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