. Author manuscript; available in PMC: 2013 Oct 11.

Published in final edited form as: J Med Chem. 2012 Sep 19;55(19):8283–8302. doi: 10.1021/jm300472k

Table 3.

^a. The enthalpic and entropic terms constituting the differential enthalpy and the differential entropy, the anticipated influence of the COO⁻ on each term, and the influence required to consider such term a cause for the experimentally observed cooperativity

Enthalpic Term	Entropic Term	Influence of COO⁻ on Enthalpic Term	Influence of COO⁻ on Entropic Term	Influence of COO⁻ required for Enthalpic term to cause cooperativity	Influence of COO⁻ required for Entropic term to cause cooperativity
ΔH_{a-solv (H,Y→Me,Y)}		(−)		(+)
	−TΔS_{a-solv (H,Y→Me,Y)}		(+)		(−)
ΔH_{a-Me (H,Y→Me,Y)}		Insignificant		(+)
	−TΔS_{a-Me (H,Y→Me,Y)}		(+)		(−)
ΔH_{b-solv (H,Y→Me,Y)}		(−)		(−)
	−TΔS_{b-solv (H,Y→Me,Y)}		(+)		(+)
ΔH_{b-Me (H,Y→Me,Y)}		Insignificant		(−)
	−TΔS_{b-Me (H,Y→Me,Y)}		Insignificant		(+)

The signs shown in the table are the algebraic signs of the difference between the enthalpic, or the entropic terms, in presence and absence of the COO⁻ (e.g. (ΔH_{b-solv(H,COO→Me,COO)}− ΔH_{b-solv(H,H→Me,H)}). (+): increase in the thermodynamic term; (−): decrease in the thermodynamic term.