Qualitative analysis of broccoli (Brassica oleracea var. italica) glucosinolates: Investigating the use of mid-infrared spectroscopy combined with chemometrics

Langston, Faye M. A.; Redha, Ali Ali; Nash, Geoffrey R.; Bows, John R.; Torquati, Luciana; Gidley, Michael J.; Cozzolino, Daniel

doi:10.1016/j.jfca.2023.105532

Cited by 6 publications

(7 citation statements)

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“…A previous study by our group reported the ability of MIR spectroscopy to classify broccoli samples based on their GB content as high (200–500 mg/100 g dry weight (dw)) and low GB (<200 mg/100 g dw) content (Langston et al ., 2023). Furthermore, the study showed that MIR spectroscopy was capable to differentiate broccoli samples according to the system of production.…”

Section: Introductionmentioning

confidence: 99%

Determination of glucosinolates in broccoli (Brassica oleracea var. italica) by combining mid‐infrared (MIR) spectroscopy with chemometrics

Ali Redha,

Langston,

Nash

et al. 2023

Int J of Food Sci Tech

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SummaryGlucosinolates (GSLs), compounds with potential chemo‐preventative properties, can be affected by pre‐ and post‐harvest processes. Therefore, monitoring their content is important for the food and agricultural industries. This study evaluates the application of mid‐infrared (MIR) spectroscopy for the determination of GSLs in commercial broccoli (Brassica oleracea var. italica). Broccoli (n=53) from different varieties were analysed using MIR spectroscopy and high‐performance liquid chromatography to develop partial least squares models for six individual GLSs, total indolic glucosinolates, and total GSLs. The coefficient of determination in cross‐validation (R2CV) of 0.50‐0.78 whereas residual predictive deviation (RPD) values of 1.35‐2.19 for different GSLs. Cross‐validation models developed using Tenderstem® broccoli yielded an R2CV of 0.41‐0.91 and an RPD of 0.81‐2.97. This study showed that MIR spectroscopy can be considered for the determination of some broccoli GSLs. Differences in the loadings between the models demonstrated that variations in broccoli composition can influence the cross‐validation models for GSLs.

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Section: Introductionmentioning

confidence: 99%

Determination of glucosinolates in broccoli (Brassica oleracea var. italica) by combining mid‐infrared (MIR) spectroscopy with chemometrics

Ali Redha,

Langston,

Nash

et al. 2023

Int J of Food Sci Tech

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“…The C=S stretching vibration was also identified by the peak at 1022 cm −1 that shifted after Pb(II) sorption [65]. The peaks between 1200 cm −1 and 1400 cm −1 related to the symmetric and asymmetric stretch of S=O were also found to be characteristic of this type of glucosides and the interaction of this group with the metal was shown with higher absorption intensities [25]; also, they could be related to the P=O stretch of organophosphorus compounds such as phytates [66]. FTIR analysis also showed the absorption bands of C-H bending vibrations at 1352 cm −1 of alkyl, aliphatic and aromatic groups from cellulose, hemicellulose and lignin [29].…”

Section: Sorbent Characterisationmentioning

confidence: 87%

“…The absorption intensities generally increased for Pb-loaded biomass (decreasing transmittance) (Figure 2). Aldehyde and ketone C-O stretching, alkyl C-H stretching, and alcohol O-H stretching from carbohydrates were associated with peaks at 1022 cm −1 and 2910 cm −1 , and with a broad band around 3320 cm −1 , respectively [25]. The alteration of this broad band suggests that Pb(II) ions compete with the hydrogen bonding between OH groups associated with cellulose and proteins of the biomass [61].…”

Section: Sorbent Characterisationmentioning

confidence: 95%

“…The ash weight at 850 • C was 9.7% of the initial biomass. could be attributed to the aromatic C=C bonds, such as those in glucosinolates, and showed a small shift after lead sorption to a lower wavenumber [25]. The peak at 2335 cm −1 was attributed to N-H stretching vibrations or to C=O stretching vibrations where oxygen or nitrogen could be involved in Pb(II) sorption, increasing the intensities of the IR spectrum after metal exposure [67].…”

Section: Sorbent Characterisationmentioning

confidence: 99%

“…italica) is a valuable plant from the Brassicaceae (or Cruciferae) family (genus Brassica); the floret is the main edible part of this vegetable. The broccoli plant has several components, standing out the glucosinolates (mainly glucoraphanin and sulforaphane) [25], like other cruciferous vegetables; these sulphur-containing compounds give broccoli its characteristic odour and taste. The chemical composition of broccoli stalk also includes soluble and insoluble fibre (pectins, hemicellulose, cellulose, sugars, starch, lignin, etc.…”

Section: Introductionmentioning

confidence: 99%

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Ecofriendly Application of Calabrese Broccoli Stalk Waste as a Biosorbent for the Removal of Pb(II) Ions from Aqueous Media

Granado-Castro,

Galindo-Riaño,

Gestoso-Rojas

et al. 2024

Agronomy

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A new biosorbent obtained from Calabrese broccoli stalks has been prepared, characterised and used as an effective, low-cost and ecofriendly biomass to remove Pb(II) from aqueous solutions, without any complicated pretreatment. Structural and morphological characterisation were performed by TGA/DGT, FTIR and SEM/EDX; the main components are hemicellulose, starches, pectin, cellulose, lignin and phytochemicals, with important electron donor elements (such as S from glucosinolates of broccoli) involved in Pb(II) sorption. The biosorbent showed values of 0.52 and 0.65 g mL−1 for bulk and apparent densities, 20.6% porosity, a specific surface area of 15.3 m2 g−1, pHpzc 6.25, iodine capacity of 619 mg g−1 and a cation exchange capacity of 30.7 cmol kg−1. Very good sorption (88.3 ± 0.8%) occurred at pH 4.8 with a biomass dose of 10 g L−1 after 8 h. The Freundlich and Dubinin–Radushkevich isotherms and the pseudo-second-order kinetic models explained with good fits the favourable Pb(II) sorption on the heterogeneous surface of broccoli biomass. The maximum adsorption capacity was 586.7 mg g−1. The thermodynamic parameters evaluated showed the endothermic and spontaneous nature of the Pb(II) biosorption. The chemical mechanisms mainly involved complexation, ligand exchange and cation–π interaction, with possible precipitation.

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Development of Liquid Chromatography-Mass Spectrometry (LC-MS) Method for Quantification of Broccoli Sulforaphane

Ali Redha,

Hong,

Torquati

et al. 2023

Food Anal. Methods

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Sulforaphane (SFN) is an isothiocyanate and the product of the hydrolysis of glucoraphanin (GRA) by myrosinase. Broccoli is one of the rich sources of GRA and thus SFN. SFN possess a wide range of bioactivities and is considered an anti-cancer phytochemical. Most of the current common methods used to quantify SFN are based on high-pressure liquid chromatography (HPLC) with diode array detection (DAD) — also known as HPLC-DAD. Although this technique has shown encouraging results, the detection of SFN by DAD is relatively weak and affected by high interference of sample matrices. Therefore, the aim of this study was to develop a liquid chromatography-mass spectrometry (LC-MS) method in which SFN is identified by molecular mass to give more accurate results. The developed method demonstrated a highly reproducible retention time (7.204 ± 0.008 min), producing a sharp, symmetrical and well-defined sulforaphane peak in standard and test samples. The most dominant ion of sulforaphane in the pure and test samples was 178 m/z ([M + H]+). In terms of linearity, the calibration curve had a coefficient of determination (R2) of 0.9963. The limit of detection of this method is 1.3 ng/mL, and the limit of quantification is 3.9 ng/mL, indicating high sensitivity. The uniformity of peak shape and retention time in both pure and test samples were the same suggesting excellent selectivity. Overall, the developed method showed promising results in identifying and quantifying broccoli SFN.

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Qualitative analysis of broccoli (Brassica oleracea var. italica) glucosinolates: Investigating the use of mid-infrared spectroscopy combined with chemometrics

Cited by 6 publications

References 40 publications

Determination of glucosinolates in broccoli (Brassica oleracea var. italica) by combining mid‐infrared (MIR) spectroscopy with chemometrics

Determination of glucosinolates in broccoli (Brassica oleracea var. italica) by combining mid‐infrared (MIR) spectroscopy with chemometrics

Ecofriendly Application of Calabrese Broccoli Stalk Waste as a Biosorbent for the Removal of Pb(II) Ions from Aqueous Media

Development of Liquid Chromatography-Mass Spectrometry (LC-MS) Method for Quantification of Broccoli Sulforaphane

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