Agro-byproduct valorization of radish and turnip leaves and roots as new sources of antibacterial and antivirulence agents through metabolomics and molecular networking

LC/MS-Based Metabolomics Reveals Chemical Variations of Two Broccoli Varieties in Relation to Their Anticholinesterase Activity: In vitro and In silico Studies

“…Ten glucosinolates (Table S2 ) were detected in the RB and PB samples. As previously reported, the MS 2 spectra of glucosinolates displayed characteristic fragment ions resulting from the breakage occurring around the thioether bond, with cleavage of the alkyl, glucose, and sulfate chains including neutral loss of R-N = C = S from the parent ion and formation of a thioglucose fragment [ 23 ]. Glucosinolates have been reported to have a wide array of bioactivities, including antibacterial, antifungal, anticancer, antidiabetic, antioxidant, anti-inflammatory, cardioprotective, and neuroprotective [ 24 ].…”

Application of smart chemometric models for spectra resolution and determination of challenging multi-action quaternary mixture: statistical comparison with greenness assessment

“…The use of multivariate analysis as a tool to resolve severely overlapping spectroscopic data simultaneously including numerous spectroscopic variables at different wavelengths instead of using univariate analysis that relies on a single value corresponding to a maximum absorbance at selected wavelength leads to an increase in specificity and sensitivity [ 29 ]. Moreover, multivariate calibrations are efficiently used in biodiesel, plant extract, and pharmaceutical formulation analysis [ 30 – 33 ]. Herin, the quantification of our combined drugs in Grippostad C® capsules using the univariate spectrophotometric method was hindered by the severe spectral overlap ( Fig.…”