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While calculating the minimum and the maximum flux values for each reaction, all external boundaries are set to 0 or -1000 (depending on their reversibility) and 1000.
We performed FVA for the models corresponding to the two diets and compared the computed maximum flux values of each exchange reaction on the basolateral side.
Maximize v Biomass Subject to (1) ∑ j = 1 M S ij v j = 0, ∀ i ∈ 1, …, N (2) v j, min ≤ v j ≤ v j, max, ∀ j ∈ 1, …, M Where Sij is the stoichiometric coefficient for metabolite i in reaction j, vj,min and vj,max denote the minimum and maximum flux values for reaction j, while vj represents the flux value of reaction j.
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The metabolic flux distribution and the changes of metabolic fluxes under several perturbed conditions were examined by flux variability analysis (FVA) [ 26, 27] that calculates minimal and maximal flux values of each reaction for an objective function of maximum cell growth rate.
The effect of carrier and plasticizer content in the membrane has been investigated; the maximum flux value was achieved with a carrier content of 3 mg cm−2 and 0.3 mL of NPOE.
Reactions that had a non-zero minimum or maximum flux value were deemed to be functional.
This method, however, requires measuring a maximum flux whereas our method does not require knowing a maximum flux value.
The approach consists in calculating the minimum and maximum flux value through each reaction of the system.
An unsatisfied reversibility condition was found if the minimum or maximum flux value is zero for a reversible reaction.
In our tool, we utilize FVA to identify zero-flux reactions using the following condition: A reaction r j is a zero-flux reaction iff v j max = 0 ∧ v j min = 0 where the symbol ∧ corresponds to a logical AND operation, v j max refers to the maximum flux value for reaction r j obtained using FVA, and v j min refers to the minimum flux value for reaction r j obtained using FVA.
The maximum value of the objective function is first computed and this value is used with multiple optimizations to calculate the maximum and minimum flux values through each reaction.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com