BioComputationalEngineering Bio-Thermo Database v1.00

X. Li1, R. K. Dash1, R. K. Pradhan1, F. Qi1, M. Thompson1,
K. C. Vinnakota1, F. Wu1, F. Yang2, and D. A. Beard1


1 Department of Physiology, Medical College of Wisconsin
2 Lilly-Singapore Centre for Drug Discovery Pte Ltd, Singapore


     This web base bio-thermodynamic database can be used to obtain the dissociation constants (provided as pK) and the corresponding dissociation enthalpies ΔrH0Kd for reference species associated with biochemical reactants at specified temperature and ionic strength.

Reactant

Choosing reactant from the list below, the following constants, pK and ΔrH0Kd at
(T=289.15K, I=0.100m),
of this reactant reference species will be shown in the “Constants”.


Constants:
Abbreviation
Name
Name ΔfG0
(standard Gibbs free energy of reaction, T = 298.15K,
I = 0M)
Zia
(charge number of species i )
nH a
(number of protons in reference species)
 
 
           
pK_H1
(first ion dissociation constant of Hydrogan)
ΔΓHKd_H1
(first ion dissociation enthalpie of Hydrogen )
pk_H2
(second ion dissociation constant of Hydrogan)
ΔΓHKd_H2
(second ion dissociation enthalpie of Hydrogen )
pK_Mg1
(first ion dissociation constant of Magnesium)
ΔΓHKd_Mg1
(first ion dissociation enthalpie of Magnesium)
New pK1: ΔΓHKd_H1:
New pK2: ΔΓHKd_H2: New pK_Mg1: ΔΓHKd_Mg1:
           
pK_HMg
(dissociation constant of Hydrogen and Magnesium)
ΔΓHKd_HMg
(dissociation enthalpie of Hydrogen and Magnesium)
pK_Mg2
(second ion dissociation constant of Magnesium)
ΔΓHKd_Mg2
(second ion dissociation enthalpie of Magnesium)
pK_K1
(first ion dissociation constant of Potassium)
ΔΓHKd_K1
(first ion dissociation enthalpie of Potassium)
New pK_HMg: ΔΓHKd_HMg: New pK_Mg: ΔΓHKd_Mg2: New pK_K1: ΔΓHKd_K1:
           
pK_Na1
(first ion dissociation constant of Sodium)
ΔΓHKd_Na1
(first ion dissociation enthalpie of Sodium)
pK_HNa
(dissociation constant of Hydrogenand Sodium)
ΔΓHKd_HNa
(dissociation enthalpie of Hydrogen and Sodium)
pK_Ca1
(first ion dissociation constant of Calcium)
ΔΓHKd_Ca1
(first ion dissociation enthalpie of Calcium)
New pK_Na1: ΔΓHKd_Na1: New pK_HNa: ΔΓHKd_HNa: New pK_Ca1: ΔΓHKd_Ca1:
pK_HCa
(dissociation constant of Hydrogen and Calcium)
ΔΓHKd_HCa
(second ion dissociation enthalpie of Calcium)
pK_Ca2
(Second ion dissociation constant of Calcium)
ΔΓHKd_Ca2
(second ion dissociation enthalpie of Calcium)
   
   
New pK_HCa: ΔΓHKd_HCa: New pK_Ca2: ΔΓHKd_Ca2:    
Change to your experimental conditions, click "Calculate New Constants", the new constant of this reactant reference species will show in the green fields
Temp. (K)
 
I (M)
 

New pK: (m)

my test:

Reactions

Choosing reaction from the list below, the reaction's abbreviated name, real name, EC number, reaction form, standard equilibrium constant at (T = 298.15 K, I = 0 M), and standard Gibbs free energy at (T = 298.15 K, I = 0 M) will be shown at the boxes below.

Abbreviated Name
EC Number
Reaction Name

Reaction form

Change to your experimental condition and click button "Calculation Apparent Equilibrium Constant & Standard transformed Gibbs free energy", the new constant will be shown at the boxes below.

Environment:(change to your experimental conditions)

Temp. (K)
I (M) pH  
 
       
Free Magnesium
concentration (M)
Free Potassium
concentration (M)
Free Sodium
concentration (M)
Free Calcium
concentration (M)


Standard equilibrium constant (T = 298.15 K, I = 0 M) :

Apparent Equilibrium Constant :

Standard Gibbs free energy (T = 298.15 K, I = 0 M): (kJ/mol)

Standard transformed Gibbs free energy: (kJ/mol)

 


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