Profiling of Secondary Metabolites of Optimized Ripe Ajwa Date Pulp (Phoenix dactylifera L.) Using Response Surface Methodology and Artificial Neural Network

Abstract

The date palm (Phoenix dactylifera L.) is a popular edible fruit consumed all over the world and thought to cure several chronic diseases and afflictions. The profiling of the secondary metabolites of optimized ripe Ajwa date pulp (RADP) extracts is scarce. The aim of this study was to optimize the heat extraction (HE) of ripe Ajwa date pulp using response surface methodology (RSM) and artificial neural network (ANN) modeling to increase its polyphenolic content and antioxidant activity. A central composite design was used to optimize HE to achieve the maximum polyphenolic compounds and antioxidant activity of target responses as a function of ethanol concentration, extraction time, and extraction temperature. From RSM estimates, 75.00% ethanol and 3.7 h (extraction time), and 67 °C (extraction temperature) were the optimum conditions for generating total phenolic content (4.49 ± 1.02 mgGAE/g), total flavonoid content (3.31 ± 0.65 mgCAE/g), 2,2-diphenyl-1-picrylhydrazyl (11.10 ± 0.78 % of inhibition), and cupric-reducing antioxidant capacity (1.43 µM ascorbic acid equivalent). The good performance of the ANN was validated using statistical metrics. Seventy-one secondary metabolites, including thirteen new bioactive chemicals (hebitol II, 1,2-di-(syringoyl)-hexoside, naringin dihydrochalcone, erythron-guaiacylglycerol-β-syringaresinol ether hexoside, erythron-1-(4′-O-hexoside-3,5-dimethoxyphenyl)-2-syrngaresinoxyl-propane-1,3-diol, 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid, linustatin and 1-deoxynojirimycin galactoside), were detected using high-resolution mass spectroscopy. The results revealed a significant concentration of phytoconstituents, making it an excellent contender for the pharmaceutical and food industries.

Optimization, Metabolomic Analysis, Antioxidant Potential and Depigmenting Activity of Polyphenolic Compounds from Unmature Ajwa Date Seeds (Phoenix dactylifera L.) Using Ultrasonic-Assisted Extraction

“…Notably, the phenolic acids in UMS were often in glucosidic form or conjugated with quinic and shikimic acid. While compounds 1-12 had been reported in various date cultivars in previous studies [1,17,22,24], compound 13, with a monoisotopic mass [M-H] − of m/z 747.1895 and the molecular formula C 38 H 36 O 16 , was newly identified as 3-O-feruloyl-7-O-acyl-feruloyl-4-O-caffeoyl-quinic acid in the Ajwa date.…”

“…To assess the agreement between observed and expected UMS outcomes, calculations of the RSD and RSE were performed using Equations ( 10) and (11), respectively. According to the criteria set forth, data were considered consistent with predictions when RSD and RSE values fell below 10% and 5%, respectively [24,25].…”

“…Flavonoids are a diverse group of polyphenolic compounds found in plants, categorized into seven subclasses based on their structural variations: flavonols, flavones, isoflavones, anthocyanidins, flavanones, flavanols and chalcones [36]. Among the flavonoids identified, flavone aglycones, including apigenin (14), luteolin (15), chrysoeriol (17) and methoxysinensetin (21), were identified along with their glycosides (compounds 25, 34, 46, 47 and 54) and sulfate conjugates as luteolin hexosyl sulfate (41) and chrysoeriol hexosyl sulfate (42) [17,20,22,24]. Quercetin (18), a major flavonol aglycone, was found alongside numerous flavonol glycosides (29,30,35,38,40,43,48,49,52 and 55-57), which were prevalent across various date variants [20,22,24].…”

“…Among the flavonoids identified, flavone aglycones, including apigenin (14), luteolin (15), chrysoeriol (17) and methoxysinensetin (21), were identified along with their glycosides (compounds 25, 34, 46, 47 and 54) and sulfate conjugates as luteolin hexosyl sulfate (41) and chrysoeriol hexosyl sulfate (42) [17,20,22,24]. Quercetin (18), a major flavonol aglycone, was found alongside numerous flavonol glycosides (29,30,35,38,40,43,48,49,52 and 55-57), which were prevalent across various date variants [20,22,24]. Furthermore, UMS unveiled novel flavonol glycoside conjugates with hydroxycinnamic acids, specifically kaempferol 3-(3 ′′ ,6 ′′di-p-coumaroylgalactoside) (51), quercetin 3-(6 ′′′′ -p-coumaryl sophorotrioside) (58) and quercetin 3-(6 ′′ -caffeoyl sophorotrioside) (59), as determined through MS n data and previous studies [37,38].…”

A Systematic Study of Yiqi Qubai Standard Decoction for Treating Vitiligo Based on UPLC-Q-TOF/MS Combined with Chemometrics, Molecular Docking, and Cellular and Zebrafish Assays

“…Our results showed that H-12, Y-11, C-13, and J-11 were better quality and should be used for the subsequent preparation of YQD. RSM is a collection of statistical and mathematical methodologies for developing and optimizing procedures in which many variables impact a desired response; it has the aim of optimizing that response [27]. The Box-Behnken design (BBD), a type of RSM, reduces the number of tests and investigates the interactions between the influencing factors to obtain the optimal process parameters quickly and effectively [28].…”