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For each IEM, we deleted the corresponding metabolic reaction(s) and computed the maximal possible flux value for each metabolic task.
From these results, the mean possible flux value for each reaction i (v ― i ) and average flux carried by all active reactions (v ― all ) is determined.
$$\end{documentt} ∀ j such that c j < 1 → v j U, R = v j U, U R ⋅ c j 5 v j L, R = v j L, U R ⋅ c j 6 Note that the updated lower bound is non-zero only for reversible reactions, effectively lowering the maximum possible flux value in the reverse direction.
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The obtained flux vector v mp contains the most possible flux values compatible (consistent) with the model and the measurements.
In the process, fluxes are constrained by steady-state mass balances, enzyme capacities, and reaction directionality, which yield a solution space of possible flux values.
These constraints yield a solution space of possible flux values, and FBA uses an objective function to identify flux distributions that maximize (or minimize) the physiologically relevant predicted solution.
Interestingly, we observed a 2-fold elevation in maximal possible flux values for the secretion of cholesterol esters, and triglycerides when the model was provided with the average American diet compared to the balanced diet.
Flux-converging pattern analysis further limits the range of possible flux values in a metabolic reaction by examining the number of carbon atoms in metabolites that participate in the reactions and the converging patterns of fluxes from a carbon source (see Methods and Figure 1) [ 28].
When comparing the results for the maximal possible flux values of the different metabolic tasks, we found an increased flux for the synthesis of important products, such as glucose, ornithine and citrulline, from glutamine in the average American diet compared with the balanced diet (Table 1).
Additionally, the maximal possible secretion flux values for cholesterol and glucose were 4- and 3-fold higher, respectively, in the average American diet than in the balanced diet.
We investigated the metabolite exchanges between mouse and B. thetaiotaomicron, by determining the minimal and maximal possible exchange flux values, while simulating growth on high-protein, high-fat and Western diets.
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