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Response factors for the fatty acids were calculated using the same standard mixtures plus an internal standard [ 24].
The concentrations of the anionic forms of amino acids were calculated using the Henderson-Hasselbalch equation and pK values of 9.6 and 9.2 for the amino groups of glycine and L-serine, respectively.
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The limit of detection (LOD) for both amino acids was calculated using the following equation: LOD = 3 s / m ; where s is the standard deviation of the peak currents of the blank (five runs), and m is the slope of the calibration curve [23], and the values were found to be 0.54 µM for l-serine and 1 µM for l-phenylalanine.
To evaluate the applicability of the S. cerevisiae platform for antioxidant discovery, the oxidative state of the 45 measured amino and non-amino organic acids was calculated using the DOR of each metabolite (Table S1).
The fraction of all 20 natural amino acids was calculated using the Eq. (1).
ΔpKa = pKa (base) − pKa (acid) were calculated using the pKa data from Ref. [38].
The differences in total RNA expression in MC3T3-1b cells with and without stimulation by bmp2 and ascorbic acid were calculated using an independent t test.
The change of Gibbs free energy and entropy of oxidation of chlorogenic acid are calculated using thermochemistry calculations.
The degree of oxidation was measured following thiocyanate method and percent inhibition of linoleic acid was calculated using Eq. 2.
While conversion of lauric acid was calculated using formula: {text{Conversion}};{text{of}};{text{lauric}};{text{acid}}; = left( {1 - frac{{{text{acid}};{text{value}};{text{final}}}}{{{text{acid}};{text{value}};{text{initial}}}}} right) times 100%.
The adsorption capacity of IRA 67 resin for glucose, sodium acetate and acetic acid was calculated using Eq. 1 by determining the remaining of these components in the solution.
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