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27 result(s) for "LC-QTOF-MS/MS"
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Exploring the Extraction Methods of Phenolic Compounds in Daylily (Hemerocallis citrina Baroni) and Its Antioxidant Activity
Daylily is a valuable plant resource with various health benefits. Its main bioactive components are phenolic compounds. In this work, four extraction methods, ultrasonic-assisted water extraction (UW), ultrasonic-assisted ethanol extraction (UE), enzymatic-assisted water extraction (EW), and enzymatic-assisted ethanol extraction (EE), were applied to extract phenolic compounds from daylily. Among the four extracts, the UE extract exhibited the highest total phenolic content (130.05 mg/100 g DW) and the best antioxidant activity. For the UE extract, the DPPH value was 7.75 mg Trolox/g DW, the FRAP value was 14.54 mg Trolox/g DW, and the ABTS value was 15.37 mg Trolox/g DW. A total of 26 phenolic compounds were identified from the four extracts, and the UE extract exhibited a higher abundance range of phenolic compounds than the other three extracts. After multivariate statistical analysis, six differential compounds were selected and quantified, and the UE extract exhibited the highest contents of all six differential compounds. The results provided theoretical support for the extraction of phenolic compounds from daylily and the application of daylily as a functional food.
Novel Sequential Microwave-Ultrasonic-Assisted Extraction of Phenolic Compounds from Jackfruit (Artocarpus heterophyllus Lam.) Peel Waste Using Choline Chloride-Lactic Acid Deep Eutectic Solvent
Phenolic compounds in jackfruit (Artocarpus heterophyllus Lam.) peel were extracted using novel sequential microwave-ultrasonic-assisted extraction (SMUAE) and a natural deep eutectic solvent (NADES). Choline chloride-lactic acid (ChCl-LA) was an optimal NADES. Optimal conditions of SMUprobeAE (SMUpAE) were 415 W microwave power, 124 s irradiation time, and 7 min ultrasonic time. Total phenolic content (TPC) of a crude extract (CJPE) under the optimum conditions was 53.16 ± 1.23 mg GAE/g DW. SMUbathAE (SMUbAE) could be used instead of SMUpAE to prevent the corrosion of the probe. The different sequences of applying ultrasonic wave and microwave did not differently influence TPC, antioxidant activity of CJPE, and microstructure of peel residues. LC-QTOF-MS/MS profiling of natural products in purified extracts (PJPE) was differently affected by ChCl-LA and 60% EtOH. Chlorogenic acid was the main phenolic compound in PJPE. Glycyrrhetinic acid was found for the first time in ChCl-LA-PJPE. Therefore, SMUbAE integrated with ChCl-LA was an alternative green technique for extraction of phenolic compounds.
Identification of a novel bromoindazole synthetic cannabinoid analogue in seized e-cigarette liquid: ADB-BRINACA
A wide variety of new synthetic cannabinoids have emerged around the world in recent years, and because of this rapid emergence, the detection and monitoring of this class of abused drugs remain a challenge. In this study, a new cannabimimetic indazole-3-carboxamide derivative, N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)− 5-bromo-1 H-indazole-3-carboxamide, was identified from seized e-cigarette liquid samples and newly named as ADB-BRINACA by referring to the names of other known indazole-class synthetic cannabinoids. Structure identification was accomplished based on gas chromatography-mass spectrometry (GC-MS), high-performance liquid chromatography-high resolution quadrupole mass spectrometry (HPLC-QTOF-MS/MS), and nuclear magnetic resonance spectrometry (NMR). The concentration range of ADB-BRINACA in six e-cigarette liquid samples was found to be 2228–4203 mg/L using ERETIC 2, a quantitative NMR method, which is advantageous in the absence of a reference material. As there have been no chemical or pharmaceutical reports on ADB-BRINACA until now, this is the first report presenting a comprehensive analytical characterization of ADB-BRINACA. •A novel bromoindazole synthetic cannabinoid analogue was detected in seized e-cigarette liquids.•The chemical structure was determined by HPLC-QTOF-MS/MS and 1D-/2D NMR.•It was confirmed to be N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)− 5-bromo-1H-indazole-3-carboxamide.•The compound was newly named as ADB-BRINACA.
Tissue-specific distribution of cytotoxic triterpene saponins in three Red Sea sea cucumbers
Sea cucumbers are widely exported from the Middle-East to East Asia being consumed as traditional food. Due to paucity of knowledge concerning biochemical analysis of Red Sea Holothurians, we studied the distribution of triterpene saponins in the external muscular body walls and internal visceral organs of three edible sea cucumbers of the Red Sea using LC-qTOF-MS/MS. Saponins in H. atra and Bohadschia vitiensis were generally localised in the walls whereas they showed higher relative abundance in the viscera of Holothuria impatiens . Cell Counting Kit-8 (CCK-8) and Sulforhodamine B (SRB) assays showed superiority of H. impatiens viscera in reducing the viabilities of all tested cancer cell lines. Bioassay-guided fractionation revealed strong cytotoxicity for the dichloromethane (DCM) fraction of H. impatiens visceral extract. Bioactive molecular networking showed triterpenes to contribute to the cytotoxic activity of the DCM fraction. LC-qTOF-MS/MS analysis and molecular networking of the bioactive fraction showed enrichment of the triterpenes bivittosides C and D. KEGG pathway enrichment analysis showed that bivittosides most probably affect cancer pathways such as PI3K/Akt, interleukins signaling, and receptor tyrosine kinases. Molecular docking showed good binding scores for bivittosides C and D on STAT3, Akt1, and EGFR proteins.
Health-promoting effects of Thai curry pastes and rice dishes following simulated gastrointestinal digestion: insights into antioxidants, tyrosinase enzyme inhibition, and anti-inflammatory properties
Abstract This study investigated the bioactivity of Southern Thai curry pastes and ready-to-eat dishes after simulated gastrointestinal digestion. Antioxidant activity, anti-inflammatory effects, cytokine production, tyrosinase inhibition, and phenolic profiles were evaluated in nine samples: red curry paste (RCP), sour curry paste (SCP), kua kling curry paste (KCP), red curry (RC), sour curry (SC), kua kling curry (KC), and rice-based dishes (RRC, RSC, and RKC). Total phenolic content (TPC) was highest in RCP, KC, and RKC, while total flavonoid content (TFC) peaked in SCP, RC, and RSC (p < .05), consistent with DPPH and ABTS results. KCP exhibited the strongest tyrosinase inhibition (64.57 ± 1.88%), whereas rice-based samples showed the lowest activity. All samples were non-cytotoxic, maintaining cell viability above 80%. RCP and KCP showed the strongest nitric oxide inhibitory effects. ELISA analysis demonstrated significant inhibition of TNF-α, particularly in RC and KC, while rice-based dishes were less effective. RCP also showed the greatest inhibition of IL-1β. Pyrogallol was most abundant in RCP, RC, and RRC. LC-QTOF-MS/MS identified key bioactive compounds, including quercitrin, capsaicin, ferulic acid, and linoleic acid. These findings suggest that digested Southern Thai dishes possess promising antioxidant and anti-inflammatory properties; however, in vivo studies are needed for confirmation. Graphical Abstract Graphical Abstract For image description, please refer to the figure legend and surrounding text.
Cinnamomum verum extract as a potential therapeutic for atopic dermatitis through reducing lipid peroxidation and oxidative stress
Oxidative stress and lipid peroxidation play crucial roles in the pathogenesis of atopic dermatitis (AD). Among the by-products of lipid peroxidation, 4-hydroxynonenal (4-HNE) is known to exacerbate inflammatory responses. This study investigated the potential of J. Presl. [Lauraceae] extract (CVE) in mitigating oxidative stress and suppressing 4-HNE-mediated inflammatory pathways in an AD model. The antioxidant properties of CVE were evaluated through lipid peroxidation assays, reactive oxygen species (ROS) measurement, and cytokine profiling. CVE treatment significantly reduced 4-HNE levels, decreased pro-inflammatory cytokine expression, and restored antioxidant enzyme activity. These findings suggest that CVE may serve as a natural therapeutic agent for managing oxidative stress and inflammation in AD.
Polyphenol Compounds and Biological Activity of Caper (Capparis spinosa L.) Flowers Buds
The aim of the study was to analyze potential health-promoting components of caper flower buds (Capparis spinosa L.) at six stages of development in two cultivars. Polyphenol compounds (flavonols, hydroxycinnamic acids, flavan-3-ols) were identified by Liquid Chromatography– quadrupole Time–of–Flight –Mass Spectrofotometer/Mass Spectrofotometer (LC-qTOF-MS/MS) and quantified by Ultra Performance Liquid Chromatography–Photodiode Array-Fluorescence Detector (UPLC-PDA-FL). Moreover, antioxidant properties (ABTS+•, FRAP, and ORAC), anti-diabetic potential (α-amylase and α-glucosidase), and anti-aging activity (acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE)) of the buds were examined. Total phenolic compounds in the investigated caper varied from 10,720 to 3256 mg/100 g dry weight (DW), and depended on a genotype and growing stage of caper flowers. Among six different growing stages, the one named ‘nonpareilles’ was characterized by significantly higher content of polyphenols than the remaining five stages. The flavonols in caper flowers represented a mixture of different glycosylated quercetin, kaempferol, myricetin, and isorhamnetin derivatives, accounting for 38%–67%, 15%–36%, 4%–7%, and 0.8%–3%, respectively, of total flavonols,. Their contents strongly depended on the growth stage. ‘Nonpareilles’ and ‘surfines’ were richer in flavonols than ‘fines’ and ‘gruesas’. Of the six investigated growth stages, ‘nonpareilles’ accumulated the greatest amounts of bioactive compounds that correlated with antioxidant and anti-diabetic properties, and were more potent BuChE than AChE inhibitors.
Unveiling the cytotoxicity of Red Sea Moorena producens via LC-QTOF-MS/MS chemical profiling, network pharmacology, and molecular docking
Breast and liver cancers remain significant global health challenges, necessitating the discovery of novel anticancer agents. Marine cyanobacteria, such as belonging to the family: Oscillatoriaceae, are rich sources of bioactive compounds with potential anticancer properties. This study aims to identify and characterize bioactive compounds from and evaluate their anticancer activity against breast and liver cancer cell lines. was collected and authenticated using 16S rRNA sequencing. The ethanolic extract was analyzed using LC-QTOF-MS/MS to identify the potential bioactive metabolites. Network pharmacology analysis was employed to predict the potential targets of these compounds. The crude extract was fractionated, and the fractions were screened for the anticancer activity against MCF-7 and HepG2 cell lines. LC-QTOF-MS/MS analysis identified 25 metabolites, including apocarotenoids, spirovetivane alkaloids, and toxins. Network pharmacology analysis suggested that malyngamide D, isomalyngamide I, mueggelone, 11,12-didehydrospironostoic acid, and 12-hydroxy-2-oxo-11-epi-hinesol were potential bioactive compounds targeting proto-oncogene tyrosine-protein kinase (Src), mitogen-activated protein kinase 3(MAPK3), and MAPK1 kinases. Molecular docking studies further supported these findings, with 11,12-didehydrospironostoic acid exhibiting strong binding affinities to Src and MAPK1 kinases. Among the nine fractions obtained, Fraction 1 showed the most potent anticancer activity against both MCF-7 and HepG2 cell lines, with IC values, 59.63 ± 7.1 and 149.23 ± 0.9 µg/mL, respectively. The results of this study highlight the potential of as a source of novel anticancer compounds. Further investigation of the bioactive compounds in Fractions 1 and 2 may lead to the discovery of promising anticancer agents.
Characterization of Bioactive Compounds in Spent Mushroom Substrate: A Metabolomic Perspective on Its Untapped Potential
Ergothioneine is an emerging natural product with anti-aging activity and highly sought after. In this study, we examined spent pink and pearl oyster mushrooms substrate for ergothioneine levels. However, we found that the ergothioneine contents were quite low, ranging from 1.66 to 9.14 μg·g−1 and 2.00 to 10.38 μg·g−1, respectively, with no significant increase compared to the unused substrate. Untargeted metabolomic analysis revealed that many low-molecular-weight compounds, including polyphenols, were reduced in spent substrates after mushroom cultivation, likely due to absorption, degradation, or utilization by the fungal mycelium. Interestingly, the spent substrates from both mushroom species were found to be enriched in certain compounds, particularly cerebroside B and ganoderenic acid D. These compounds are potentially valuable products that may be extracted from SMS. However, further targeted analytical validation is required to confirm the identity of and quantify these compounds.
Compatibility Study of Peptide and Glycerol Using Chromatographic and Spectroscopic Techniques: Application to a Novel Antimicrobial Peptide Cbf-14 Gel
The interactions between active pharmaceutical ingredients (APIs) and excipients may lead to API degradation, thereby affecting the safety and efficacy of drug products. Cbf-14 is a synthetic peptide derived from Cathelicidin-BF, showing potential for bacterial and fungal infections. In order to assess impurities in Cbf-14 gel, we developed a two-dimensional liquid chromatography coupled with quadrupole/time-of-flight mass spectrometric method. A total of eleven peptide degradation impurities were identified and characterized. Furthermore, the compatibility tests were conducted to evaluate the interactions of Cbf-14 with glycerol and methylcellulose, respectively. The results revealed that the impurities originated from condensation reactions between Cbf-14 and aldehydes caused by glycerol degradation. Several aldehydes were employed to validate this hypothesis. The formation mechanisms were elucidated as Maillard reactions between primary amino groups of Cbf-14 and aldehydes derived from glycerol degradation. Additionally, the compatibility of Cbf-14 with glycerol from different sources and with varying storage times was investigated. Notably, the interaction products in the gel increased with extended storage time, even when fresh glycerol for injection was added. This study offers unique insights into the compatibility study of peptides and glycerol, contributing to the ongoing quality study of Cbf-14 gel. It also serves as a reference for the design of other peptide preparations and excipients selections.