devtools::document()
devtools::load_all()
library(tidyverse)
####EDTA####
IS = 0.165
?log10K.0.calculator
log10.K.IS = log10K.IS.calculator.2(8.79, 0.1, IS, 2, -4, -2)
log10.K.IS
pKa1 = 10.17 + 0.15
pKa2 = 6.11 + 0.15
a1 = 1/(1 + 10^(pKa1 - 7.5) + 10^(pKa2 + pKa1 - 15))
a1
K.app = a1*10^log10.K.IS
1000/K.app
#0.1 mM Free Mg
X.0 = 0.66
M.0 = 0.76
Kd = 1000/K.app
b = -(X.0 + Kd + M.0)
c = X.0*M.0
XM = (-b - sqrt((b)^2 - 4*c))/2
XM
#0.5 mM Free Mg
X.0 = 3.1
M.0 = 3.6
Kd = 1000/K.app
b = -(X.0 + Kd + M.0)
c = X.0*M.0
XM = (-b - sqrt((b)^2 - 4*c))/2
XM
#2 mM Free Mg
X.0 = 11.3
M.0 = 13.3
Kd = 1000/K.app
b = -(X.0 + Kd + M.0)
c = X.0*M.0
XM = (-b - sqrt((b)^2 - 4*c))/2
XM
####Glu####
IS = 0.165
?log10K.0.calculator
log10.K.IS = log10K.IS.calculator.2(1.17, 0.1, IS, 2, -1, 1)
log10.K.IS
pKa1 = 9.59 + 0.15
pKa2 = 4.2 + 0.15
a2 = 1/(1 + 10^(7.5-pKa1) + 10^(pKa2 - 7.5))
a2
K.app = a2*10^log10.K.IS
1000/K.app
#0.1 mM Free Mg
X.0 = 96
M.0 = 0.76
Kd = 1000/K.app
b = -(X.0 + Kd + M.0)
c = X.0*M.0
XM = (-b - sqrt((b)^2 - 4*c))/2
XM
#0.5 mM Free Mg
X.0 = 96
M.0 = 3.6
Kd = 1000/K.app
b = -(X.0 + Kd + M.0)
c = X.0*M.0
XM = (-b - sqrt((b)^2 - 4*c))/2
XM
#2 mM Free Mg
X.0 = 96
M.0 = 13.3
Kd = 1000/K.app
b = -(X.0 + Kd + M.0)
c = X.0*M.0
XM = (-b - sqrt((b)^2 - 4*c))/2
XM
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