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Keywords = UPLC-TQ/MS

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31 pages, 5106 KB  
Article
Optimization of Microencapsulated Eggplant Biomass Extracts: Bioaccessibility, Permeability, and Antiproliferative Activity
by Emilia Saraí Rodríguez-Miranda, Marilena Antunes-Ricardo, José Basilio Heredia, Nayely Leyva-López, Erick Paul Gutiérrez-Grijalva, Pedro de Jesús Bastidas-Bastidas and Laura Aracely Contreras-Angulo
Nutraceuticals 2026, 6(2), 40; https://doi.org/10.3390/nutraceuticals6020040 - 12 Jun 2026
Viewed by 135
Abstract
Eggplant is a crop of significant global importance. However, strict selection criteria generate large amounts of biomass that contain hydrophilic bioactive compounds. These compounds are associated with the prevention and treatment of diseases such as cancer. This research aimed to explore the valorization [...] Read more.
Eggplant is a crop of significant global importance. However, strict selection criteria generate large amounts of biomass that contain hydrophilic bioactive compounds. These compounds are associated with the prevention and treatment of diseases such as cancer. This research aimed to explore the valorization of eggplant biomass through microencapsulation of hydrophilic extracts to enhance stability and evaluate the biological potential. Additionally, the study assessed the effects of in vitro gastrointestinal digestion and permeability. Optimization of the microencapsulation process determined ideal parameters: inlet temperature (175 °C), pressure (0.15 MPa), and extract amount (1.15 g), which maximized response variables: %EE (67.06), %Y (66.09), and %RPC (88.84). After in vitro gastrointestinal simulation, the microparticles showed increased TRC (29.32%) and TEAC (112%) values. The UPLC-MS-TQ chromatographic profile of both the free extract and the microencapsulate before and after digestion confirmed the presence of phenolic acids, including chlorogenic, quinic, caffeic, and ferulic. In the in vitro permeability test, only quinic acid was found on the basolateral side. Finally, viability assays on FHC cells showed that DM was not cytotoxic; meanwhile, an antiproliferative effect was observed in HCT 116 cells, with IC50 values in DE and DM (2.47 and 8.79 mg/mL) after 48 h. Full article
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13 pages, 2396 KB  
Article
Exploration of Freshness Identification Method for Refrigerated Vegetables Based on Metabolomics
by Zixuan Meng, Haichao Zhang, Jing Wang, Lianfeng Ai and Weijun Kang
Metabolites 2024, 14(12), 665; https://doi.org/10.3390/metabo14120665 - 1 Dec 2024
Cited by 2 | Viewed by 1854
Abstract
Background: The rapid development of refrigerated transportation technology for fresh vegetables has extended their shelf life. Some vegetables may appear undamaged on the surface, but their freshness may have decreased, often resulting in the phenomenon of passing off inferior vegetables as good. [...] Read more.
Background: The rapid development of refrigerated transportation technology for fresh vegetables has extended their shelf life. Some vegetables may appear undamaged on the surface, but their freshness may have decreased, often resulting in the phenomenon of passing off inferior vegetables as good. It is very important to establish a detection method for identifying and assessing the freshness of vegetables. Methods: Therefore, based on metabolomics methods, this study innovatively employed UHPLC-Q-Exactive Orbitrap MS and GC–MS techniques to investigate the metabolites in the refrigerated storage of four vegetables, namely chard (Beta vulgaris var. cicla L), lettuce (Lactuca sativa var. ramose Hort.), crown daisy (Glebionis coronaria (L.) Cass. ex Spach), and tomato (Solanum lycopersicum L.), exploring key biomarkers for assessing their freshness. UPLC-TQ MS was used for the quantitative analysis of key metabolites. Results: The results showed that arginine biosynthesis and the metabolism of alanine, aspartate, and glutamate are key pathways in vegetable metabolism. Four key metabolites were selected from chard, five from lettuce, three from crown daisy, and five from tomato. Conclusions: Comparing the content of substances such as alanine and arginine can help infer the freshness and nutritional value of the vegetables, providing important references for detecting spoilage, determining storage time, and improving transportation conditions. This research holds significant relevance for the vegetable transportation industry. Full article
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15 pages, 1342 KB  
Article
Qualitative and Quantitative Analysis of Phytochemicals in Sayeok-Tang via UPLC-Q-Orbitrap-MS and UPLC-TQ-MS/MS
by Yu Jin Kim, Seol Jang and Youn-Hwan Hwang
Pharmaceuticals 2024, 17(9), 1130; https://doi.org/10.3390/ph17091130 - 27 Aug 2024
Cited by 7 | Viewed by 2627
Abstract
Sayeok-tang (SYT) is a traditional herbal formula comprising three medicinal herbs: Glycyrrhiza uralensis, Zingiber officinale, and Aconitum carmichaeli. Several studies have employed liquid chromatography-mass spectrometry (LC-MS) to qualitatively analyze the components and metabolites of SYT in vitro and in vivo; [...] Read more.
Sayeok-tang (SYT) is a traditional herbal formula comprising three medicinal herbs: Glycyrrhiza uralensis, Zingiber officinale, and Aconitum carmichaeli. Several studies have employed liquid chromatography-mass spectrometry (LC-MS) to qualitatively analyze the components and metabolites of SYT in vitro and in vivo; however, studies on quantitative analysis of SYT, which is important for quality control, are absent or limited to only a few components. In this study, ultrahigh-performance liquid chromatography coupled with quadrupole (UPLC-Q)-Orbitrap-MS was used to screen the phytochemicals of SYT, revealing a total of 42 compounds. Among them, 24 compounds were simultaneously quantified within 20 min via UPLC-TQ-MS/MS in the multiple reaction monitoring mode. The developed analytical method was validated for its linearity (r2 ≥ 0.9992), precision (0.36–2.96%), accuracy (−6.52–4.64%), and recovery (94.39–119.07%) for all analytes, exhibiting acceptable results. The validated method was applied in the analysis of SYT extracts, and the 24 compounds were quantified in the range of 0.004–6.882 mg/g (CV ≤ 3.746%). Among them, liquiritin apioside (6.870–6.933 mg/g), glycyrrhizic acid (5.418–5.540 mg/g), and liquiritin (1.303–1.331 mg/g) from G. uralensis were identified as the relatively abundant compounds. The presented validated analytical method is highly promising for the comprehensive quality control of SYT, offering fast, highly sensitive, and reliable analysis. Full article
(This article belongs to the Special Issue Advances in Mass Spectrometry Metrology in Pharmaceutical Sciences)
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2 pages, 117 KB  
Abstract
Fruit Wine and Its Biologically Active Compounds’ Ability in Health Prevention
by Uroš Čakar, Maria Čebela, Aleksandar Petrović, Ivan Stanković and Brižita Đorđević
Proceedings 2023, 91(1), 393; https://doi.org/10.3390/proceedings2023091393 - 4 Mar 2024
Viewed by 1358
Abstract
Background and objectives: Blackberry is one of the most important berry fruits growing in Serbia. Crops and derived products are rich sources of many natural active compounds, which possess beneficial health effects. In particular, it is possible to point out the role of [...] Read more.
Background and objectives: Blackberry is one of the most important berry fruits growing in Serbia. Crops and derived products are rich sources of many natural active compounds, which possess beneficial health effects. In particular, it is possible to point out the role of blackberry and its derived products in hyperglycemia prevention since it is a very common problem among the general population today. Blackberry wine is a product which could have significant beneficial health effects during moderate consumption. The aim of this study was to investigate the α-glucosidase inhibitory activity of blackberry wine and the contribution of some natural compounds to this activity. Methods: Fruit wines were produced through microvinification during controlled fermentation by using pure yeast strain culture. Samples were lyophilized and dissolved in DMSO. The inhibition of α-glucosidase was evaluated by using α-glucosidase and substrate solution, p-nitrophenyl α-D-glucopyranoside. The identification and quantification of some natural compounds was conducted by using UPLC TQ-MS/MS. Results: After lyophilization of the produced blackberry wine, all of the determinations were conducted in four samples. The results for the α-glucosidase inhibitory activity were in the range of 31.5–55.7 µg/mL. The control showed acarbose whit inhibitory activity of 75.3 µg/mL. Moreover, the estimated amount of epicatehin, catehin, chlorogenic, ellagic, and gallic acids and their contribution to the α-glucosidase inhibitory activity of the sample was from 1.7% to 7.7%. Discussion: The obtained results show that blackberry wine is a good inhibitor of α-glucosidase compared to acarbose. The presence of phenolic compounds in wine is due to its extraction from the skin and seeds of blackberry during alcoholic fermentation. Ethanol, which naturally occurs in wine, has a key role in this process. Fruit wine can be considered as a potential functional food. α-glucosidase activity depends on the synergistic and antagonistic effect of natural active compounds in fruit wine. Full article
(This article belongs to the Proceedings of The 14th European Nutrition Conference FENS 2023)
15 pages, 882 KB  
Article
Isolation of Polyphenols from Aqueous Extract of the Halophyte Salicornia ramosissima
by Malthe Fredsgaard, Job Tchoumtchoua, Stephan Kohnen, Tanmay Chaturvedi and Mette Hedegaard Thomsen
Molecules 2024, 29(1), 220; https://doi.org/10.3390/molecules29010220 - 31 Dec 2023
Cited by 10 | Viewed by 3295
Abstract
Polyphenols from residual non-food grade Salicornia ramosissima have health-promoting effects in feed, food, or nutraceutical applications. Therefore, the isolation of polyphenols is of interest from a series of environmentally friendly isolation methods with recyclable solvents. The isolation of polyphenols from non-food grade S. [...] Read more.
Polyphenols from residual non-food grade Salicornia ramosissima have health-promoting effects in feed, food, or nutraceutical applications. Therefore, the isolation of polyphenols is of interest from a series of environmentally friendly isolation methods with recyclable solvents. The isolation of polyphenols from non-food grade S. ramosissima was investigated using sequential membrane filtration with and without acid pretreatment, liquid–liquid extraction, resin adsorption, and centrifugal partition chromatography (CPC); analyzed by the Folin–Ciocalteu assay for total polyphenols; and finally analyzed using UPLC-TQMS in negative ion-spray mode for detection of 14 polyphenols. Sequential membrane filtration and acid hydrolysis indicated the polyphenols forming complexes with other compounds, retaining the polyphenols in the retentate fraction of large molecular weight cut-off membrane sizes. Conventional liquid–liquid extraction using sequential ethyl acetate and n-butanol showed most polyphenols were extracted, apart from chlorogenic acids, indicating a low isolation efficiency of higher polarity polyphenols. Analysis of the extract after resin adsorption by Amberlite XAD-4 resin showed high efficiency for separation, with 100% of polyphenols adsorbed to the resin after 13 bed volumes and 96.7% eluted from the resin using ethanol. CPC fractionations were performed to fractionate the concentrated extract after resin adsorption. CPC fractionations of the 14 polyphenols were performed using an organic or aqueous phase as a mobile phase. Depending on the mobile phase, different compounds were isolated in a high concentration. Using these easily scalable methods, it was possible to comprehensively study the polyphenols of interest from S. ramosissima and their isolation mechanics. This study will potentially lead the way for the large-scale isolation of polyphenols from S. ramosissima and other complex halophytes. The compounds of the highest concentration after CPC fractionation were isoquercitrin and hyperoside (155.27 mg/g), chlorogenic acid (85.54 mg/g), cryptochlorogenic acid (101.50 mg/g), and protocatechuic acid (398.67 mg/g), and further isolation using CPC could potentially yield novel polyphenol nutraceuticals. Full article
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15 pages, 8178 KB  
Article
Antioxidant Activity, Formulation, Optimization and Characterization of an Oil-in-Water Nanoemulsion Loaded with Lingonberry (Vaccinium vitis-idaea L.) Leaves Polyphenol Extract
by Siyu Wang, Yuan Cheng, Jingyi Wang, Miao Ding and Ziluan Fan
Foods 2023, 12(23), 4256; https://doi.org/10.3390/foods12234256 - 24 Nov 2023
Cited by 13 | Viewed by 3924
Abstract
The active ingredients in lingonberry leaves and their beneficial properties to the human body have been well confirmed. In order to improve the stability and antioxidant activity of the active ingredients in lingonberry leaves, the response surface optimization method was used to prepare [...] Read more.
The active ingredients in lingonberry leaves and their beneficial properties to the human body have been well confirmed. In order to improve the stability and antioxidant activity of the active ingredients in lingonberry leaves, the response surface optimization method was used to prepare an oil-in-water nanoemulsion of polyphenol extract from lingonberry leaves. The active components in the extract were analyzed by ultra-performance liquid chromatography with triple quadrupole mass spectrometry (UPLC-TQ-MS), and bioactive compounds such as apigenin, sorbitol, and hesperidin were mainly found. Nanoemulsion droplets of 120 nm in diameter were prepared using ultrasonic emulsification. The optimal nanoemulsion formulation was determined through rigorous testing, and it was determined to be 10% (w/w) lingonberry extract and 20% (w/w) medium chain triglyceride (MCT). Additionally, a surfactant mixture was used, which combined soy protein isolate (SPI) and whey protein isolate (WPI) at 4% (w/w). The preparation method utilized ultrasonic emulsification, applying an ultrasonic power of 360 W for a duration of 300 s. The antioxidant activity (DPPH inhibition rate, ABTS inhibition rate and total reducing power) of the lingonberry nanoemulsion was significantly higher than that of the lingonberry polyphenol (LBP) extract. The nanoemulsion prepared using the optimal formulation had an entrapping efficiency of 73.25% ± 0.73% and a diameter of 114.52 ± 0.015 nm, with a satisfactory particle size of nanoscale and a PDI of 0.119 ± 0.065, demonstrating good stability of the emulsion. Full article
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18 pages, 4179 KB  
Article
Water Extract of Capsella bursa-pastoris Mitigates Doxorubicin-Induced Cardiotoxicity by Upregulating Antioxidant Enzymes
by Yuhui Jeong, Sun-Ho Lee, Jangho Lee, Min-Sun Kim, Yu-Geon Lee, Jin-Taek Hwang, Sang-Yoon Choi, Ho-Geun Yoon, Tae-Gyu Lim, Seung-Hyun Lee and Hyo-Kyoung Choi
Int. J. Mol. Sci. 2023, 24(21), 15912; https://doi.org/10.3390/ijms242115912 - 2 Nov 2023
Cited by 14 | Viewed by 3759
Abstract
Doxorubicin (DOX), an effective chemotherapeutic drug, causes cardiotoxicity in a cumulative and dose-dependent manner. The aim of this study is to investigate the effects of hot-water extract of Capsella bursa-pastoris (CBW) on DOX-induced cardiotoxicity (DICT). We utilized H9c2 rat cardiomyocytes and MDA-MB-231 human [...] Read more.
Doxorubicin (DOX), an effective chemotherapeutic drug, causes cardiotoxicity in a cumulative and dose-dependent manner. The aim of this study is to investigate the effects of hot-water extract of Capsella bursa-pastoris (CBW) on DOX-induced cardiotoxicity (DICT). We utilized H9c2 rat cardiomyocytes and MDA-MB-231 human breast cancer cells to evaluate the effects of CBW on DOX-induced cell death. Superoxide dismutase (SOD) levels, reactive oxygen species (ROS) production, and oxygen consumption rate were measured in H9c2 cells. C57BL/6 mice were treated with DOX and CBW to assess their impact on various cardiac parameters. Human-induced pluripotent stem-cell-derived cardiomyocytes were also used to investigate DOX-induced electrophysiological changes and the potential ameliorative effects of CBW. UPLC-TQ/MS analysis identified seven flavonoids in CBW, with luteolin-7-O-glucoside and isoorientin as the major compounds. CBW inhibited DOX-induced death of H9c2 rat cardiomyocytes but did not affect DOX-induced death of MDA-MB-231 human breast cancer cells. CBW increased SOD levels in a dose-dependent manner, reducing ROS production and increasing the oxygen consumption rate in H9c2 cells. The heart rate, RR interval, QT, and ST prolongation remarkably recovered in C57BL/6 mice treated with the combination of DOX and CBW compared to those in mice treated with DOX alone. Administration of CBW with DOX effectively alleviated collagen accumulation, cell death in mouse heart tissues, and reduced the levels of creatinine kinase (CK) and lactate dehydrogenase (LDH) in serum. Furthermore, DOX-induced pathological electrophysiological features in human-induced pluripotent stem-cell-derived cardiomyocytes were ameliorated by CBW. CBW may prevent DICT by stabilizing SOD and scavenging ROS. The presence of flavonoids, particularly luteolin-7-O-glucoside and isoorientin, in CBW may contribute to its protective effects. These results suggest the potential of CBW as a traditional therapeutic option to mitigate DOX-induced cardiotoxicity. Full article
(This article belongs to the Special Issue Application of Natural Products in Biomedicine and Pharmacotherapy)
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12 pages, 680 KB  
Article
Validation of the Ultra-Performance Liquid Chromatography with Tandem Mass Spectrometry Method for Simultaneous Analysis of Eighteen Compounds in the Traditional Herbal Prescription, Sanjoin-Tang
by Chang-Seob Seo and Hyeun-Kyoo Shin
Separations 2023, 10(7), 411; https://doi.org/10.3390/separations10070411 - 18 Jul 2023
Cited by 1 | Viewed by 1966
Abstract
Sanjoin-tang (SJIT) is an ancient oriental medicine prescription listed in the Jinguiyaolue that is mainly used for the treatment of primary insomnia. This study was conducted to develop and validate an ultra-performance liquid chromatography with tandem mass spectrometry (UPLC–MS/MS) simultaneous analysis method for [...] Read more.
Sanjoin-tang (SJIT) is an ancient oriental medicine prescription listed in the Jinguiyaolue that is mainly used for the treatment of primary insomnia. This study was conducted to develop and validate an ultra-performance liquid chromatography with tandem mass spectrometry (UPLC–MS/MS) simultaneous analysis method for the quality control of SJIT using 18 target compounds. The 18 analytes were separated on an Acquity UPLC BEH C18 column maintained at 45 °C using a mobile phase composed of distilled water and acetonitrile. The MS system was used to simultaneously detect all analytes using the multiple reaction monitoring (MRM) method of Xevo TQ-XS coupled with an electrospray ionization source. The concentrations of the 18 analytes investigated in the SJIT samples ranged from below the limit of detection to 9.553 mg/g. In conclusion, the validated UPLC–MS/MS MRM analysis method can be used to obtain basic data to establish chemical-nonclinical linkage efficacy and for the clinical research and quality evaluation of SJIT. Full article
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13 pages, 1101 KB  
Article
Chemical Profile Determination and Quantitative Analysis of Components in Oryeong-san Using UHPLC-Q-Orbitrap-MS and UPLC-TQ-MS/MS
by Seol Jang, Ami Lee and Youn-Hwan Hwang
Molecules 2023, 28(9), 3685; https://doi.org/10.3390/molecules28093685 - 24 Apr 2023
Cited by 7 | Viewed by 3331
Abstract
In this study, a method to both qualitatively and quantitively analyze the components of Oryeong-san (ORS), which is composed of five herbal medicines (Alisma orientale Juzepzuk, Polyporus umbellatus Fries, Atractylodes japonica Koidzumi, Poria cocos Wolf, and Cinnamomum cassia Presl) and is prescribed [...] Read more.
In this study, a method to both qualitatively and quantitively analyze the components of Oryeong-san (ORS), which is composed of five herbal medicines (Alisma orientale Juzepzuk, Polyporus umbellatus Fries, Atractylodes japonica Koidzumi, Poria cocos Wolf, and Cinnamomum cassia Presl) and is prescribed in traditional Oriental medicine practices, was established for the first time. First, ORS components were profiled using ultra-high-performance liquid chromatography/quadrupole Orbitrap mass spectrometry, and 19 compounds were clearly identified via comparison against reference standard compounds. Subsequently, a quantitative method based on ultra-high-performance liquid chromatography coupled with triple-quadrupole tandem mass spectrometry was established to simultaneously measure the identified compounds. Nineteen compounds were accurately quantified using the multiple-reaction-monitoring mode and used to analyze the sample; we confirmed that coumarin was the most abundant compound. The method was validated, achieving good linearity (R2 ≤ 0.9991), recovery (RSD, 0.11–3.15%), and precision (RSD, 0.35–9.44%). The results suggest that this method offers a strategy for accurately and effectively determining the components of ORS, and it can be used for quality assessment and management. Full article
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12 pages, 1271 KB  
Article
Green Extracts and UPLC-TQS-MS/MS Profiling of Flavonoids from Mexican Oregano (Lippia graveolens) Using Natural Deep Eutectic Solvents/Ultrasound-Assisted and Supercritical Fluids
by Manuel de Jesús Bernal-Millán, Miriam del Carmen Carrasco-Portugal, J. Basilio Heredia, Pedro de Jesús Bastidas-Bastidas, Erick Paul Gutiérrez-Grijalva, Josefina León-Félix and Miguel Ángel Angulo-Escalante
Plants 2023, 12(8), 1692; https://doi.org/10.3390/plants12081692 - 18 Apr 2023
Cited by 15 | Viewed by 4232
Abstract
Mexican oregano (Lippia graveolens) is an important source of bioactive compounds, such as flavonoids. These have presented different therapeutic properties, including antioxidant and anti-inflammatory; however, their functionality is related to the quantity and type of compounds, and these characteristics depend on [...] Read more.
Mexican oregano (Lippia graveolens) is an important source of bioactive compounds, such as flavonoids. These have presented different therapeutic properties, including antioxidant and anti-inflammatory; however, their functionality is related to the quantity and type of compounds, and these characteristics depend on the extraction method used. This study aimed to compare different extraction procedures to identify and quantify flavonoids from oregano (Lippia graveolens). Emerging and conventional technologies include maceration with methanol and water, and ultrasound-assisted extraction (UAE) using deep eutectic solvents (DES) such as choline chloride-ethylene glycol, choline chloride-glycerol, and choline chloride-lactic acid. Supercritical fluid extraction using CO2 as a solvent was also studied. Six different extracts were obtained and the total reducing capacity, total flavonoid content, and antioxidant capacity by ABTS•+, DPPH, FRAP, and ORAC were evaluated. In addition, flavonoids were identified and quantified by UPLC-TQS-MS/MS. Results showed that UAE-DES had the best extraction effect and antioxidant capacity using colorimetric methods. However, maceration-methanol was superior in compound content, and highlighting naringenin and phloridzin were the major compounds. In addition, this extract was microencapsulated by spray drying, which provided a protection feature of their antioxidant potential. Oregano extracts are rich in flavonoids and the microcapsules present promising results for future research. Full article
(This article belongs to the Special Issue Bioactive Compounds in Plants: Store House of Modern Drugs)
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16 pages, 2405 KB  
Article
UPLC-MS Analysis, Quantification of Compounds, and Comparison of Bioactivity of Methanol Extract and Its Fractions from Qiai (Artemisia argyi Lévl. et Van.)
by Ting Zhang, Dingrong Wan, Yuanyuan Li, Sisi Wang, Xiuteng Zhou, Fatemeh Sefidkon and Xinzhou Yang
Molecules 2023, 28(5), 2022; https://doi.org/10.3390/molecules28052022 - 21 Feb 2023
Cited by 13 | Viewed by 4710
Abstract
The Artemisia argyi Lévl. et Van. growing in the surrounding areas of Qichun County in China are called Qiai (QA). Qiai is a crop that can be used both as food and in traditional folk medicine. However, detailed qualitative and quantitative analyses of [...] Read more.
The Artemisia argyi Lévl. et Van. growing in the surrounding areas of Qichun County in China are called Qiai (QA). Qiai is a crop that can be used both as food and in traditional folk medicine. However, detailed qualitative and quantitative analyses of its compounds remain scarce. The process of identifying chemical structures in complex natural products can be streamlined by combining UPLC-Q-TOF/MS data with the UNIFI information management platform and its embedded Traditional Medicine Library. For the first time, 68 compounds in QA were reported by the method in this study. The method of simultaneous quantification of 14 active components in QA using UPLC-TQ-MS/MS was reported for the first time. Following a screening of the activity of QA 70% methanol total extract and its three fractions (petroleum ether, ethyl acetate, and water), it was discovered that the ethyl acetate fraction enriched with flavonoids such as eupatilin and jaceosidin had the strongest anti-inflammatory activity, while the water fraction enriched with chlorogenic acid derivatives such as 3,5-di-O-caffeoylquinic acid had the strongest antioxidant and antibacterial activity. The results provided the theoretical basis for the use of QA in the food and pharmaceutical industries. Full article
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14 pages, 2394 KB  
Article
Thermal Treatment to Obtain 5-Hydroxymethyl Furfural (5-HMF), Furfural and Phenolic Compounds from Vinasse Waste from Agave
by Miguel Angel Lorenzo-Santiago, Jacobo Rodríguez-Campos, Rodolfo Rendón-Villalobos, Edgar García-Hernández, Alba Adriana Vallejo-Cardona and Silvia Maribel Contreras-Ramos
Molecules 2023, 28(3), 1063; https://doi.org/10.3390/molecules28031063 - 20 Jan 2023
Cited by 11 | Viewed by 4482
Abstract
Vinasses represent important final disposal problems due to their physical-chemical composition. This work analyzed the composition of tequila vinasses and increased 5-hydroxymethylfurfural, furfural, and phenolic compounds using thermal hydrolysis with hydrogen peroxide as a catalyst. A statistical Taguchi design was used, and a [...] Read more.
Vinasses represent important final disposal problems due to their physical-chemical composition. This work analyzed the composition of tequila vinasses and increased 5-hydroxymethylfurfural, furfural, and phenolic compounds using thermal hydrolysis with hydrogen peroxide as a catalyst. A statistical Taguchi design was used, and a UPLC-MS (XEVO TQS Micro) analysis determined the presence and increase of the components. The treatment at 130 °C, 40 min, and 0.5% of catalyst presented the highest increase for 5-HMF (127 mg/L), furfural (3.07 mg/L), and phenol compounds as chlorogenic (0.36 mg/L), and vanillic acid (2.75 mg/L). Additionally, the highest removal of total sugars (57.3%), sucrose (99.3%), and COD (32.9%). For the treatment T130:30m:0P the syringic (0.74 mg/L) and coumaric (0.013 mg/L) acids obtained the highest increase, and the treatment T120:30m:1P increased 3-hydroxybenzoic (1.30 mg/L) and sinapic (0.06 mg/L) acid. The revaluation of vinasses through thermal treatments provides guidelines to reduce the impact generated on the environment. Full article
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12 pages, 823 KB  
Article
Qualitative Profiling and Quantitative Analysis of Major Constituents in Jinmu-tang by UHPLC-Q-Orbitrap-MS and UPLC-TQ-MS/MS
by Seol Jang, Ami Lee and Youn-Hwan Hwang
Molecules 2022, 27(22), 7887; https://doi.org/10.3390/molecules27227887 - 15 Nov 2022
Cited by 12 | Viewed by 3011
Abstract
Jinmu-tang (JMT) is a traditional herbal medicine consisting of five herbal medicines: Poria cocos Wolf, Paeonia lactiflora Pallas, Zingiber officinale Roscoe, Atractylodes japonica Koidzumi, and Aconitum carmichaeli Debeaux. In this study, the JMT components were profiled using UHPLC-Q-Orbitrap-MS, and 23 compounds were identified [...] Read more.
Jinmu-tang (JMT) is a traditional herbal medicine consisting of five herbal medicines: Poria cocos Wolf, Paeonia lactiflora Pallas, Zingiber officinale Roscoe, Atractylodes japonica Koidzumi, and Aconitum carmichaeli Debeaux. In this study, the JMT components were profiled using UHPLC-Q-Orbitrap-MS, and 23 compounds were identified and characterized. In addition, UPLC-TQ-MS/MS analysis was performed in the positive and negative ion modes of an electrospray ionization source for the simultaneous quantification of the identified compounds. The multiple reaction monitoring (MRM) method was established to increase the sensitivity of the quantitative analysis, and the method was verified through linearity, recovery, and precision. All analytes showed good linearity (R2 ≤ 0.9990). Moreover, the recovery and the relative standard deviation of precision were 86.19–114.62% and 0.20–8.00%, respectively. Using the established MRM analysis method, paeoniflorin was found to be the most abundant compound in JMT. In conclusion, these results provide information on the constituents of JMT and can be applied to quality control and evaluation. Full article
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18 pages, 6242 KB  
Article
Exclusive Enteral Nutrition Exerts Anti-Inflammatory Effects through Modulating Microbiota, Bile Acid Metabolism, and Immune Activities
by Fangfei Xiao, Xuefeng Gao, Hui Hu, Jun Le, Yongheng Chen, Xingsheng Shu, Ziwei Liang, Yang Xu, Yizhong Wang and Ting Zhang
Nutrients 2022, 14(21), 4463; https://doi.org/10.3390/nu14214463 - 24 Oct 2022
Cited by 20 | Viewed by 4122
Abstract
Exclusive enteral nutrition (EEN) can induce remission in patients with pediatric Crohn’s disease (CD). This study aims to depict EEN’s modification of bile acid (BA) metabolism in pediatric CD and explores the effect of the EEN-enriched BA in inhibiting the inflammatory response. The [...] Read more.
Exclusive enteral nutrition (EEN) can induce remission in patients with pediatric Crohn’s disease (CD). This study aims to depict EEN’s modification of bile acid (BA) metabolism in pediatric CD and explores the effect of the EEN-enriched BA in inhibiting the inflammatory response. The twelve enrolled pediatric CD patients showed BA dysmetabolism, represented by decreased levels of fecal secondary and unconjugated BAs as determined by UPLC–TQMS, which were accompanied by gut microbiota dysbiosis and reduced BA-metabolizing bacteria including Eubacterium and Ruminococcus genera, assessed by shotgun metagenomic sequencing. EEN treatment induced remission in these patients at eight weeks, and nine patients remained in stable remission for longer than 48 weeks. EEN improved BA dysmetabolism, with some enriched BAs, including hyocholic acid (HCA), α-muricholic acid (αMCA), strongly associated with decreased severity of CD symptoms. These BAs were significantly correlated with the increased abundance of certain bacteria, including Clostridium innocuum and Hungatella hathewayi, which express 3β-hydroxysteroid dehydrogenase and 5β-reductase. HCA could suppress TNF-α production by CD4+ T cells in the peripheral blood mononuclear cells (PBMCs) of CD patients. Moreover, intraperitoneal injection of HCA could attenuate dextran sulfate sodium (DSS)-induced mouse colitis. Our data suggests that BA modification may contribute to the EEN-induced remission of pediatric CD. Full article
(This article belongs to the Special Issue Nutrition and Nutritional Intervention in Chronic Diseases)
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15 pages, 2830 KB  
Article
Structural Elucidation of Alkali Degradation Impurities of Favipiravir from the Oral Suspension: UPLC-TQ-ESI-MS/MS and NMR
by Ravi Patel, Abhishek Dube, Ravisinh Solanki, Dignesh Khunt, Shalin Parikh, Vijayabhaskarreddy Junnuthula and Sathish Dyawanapelly
Molecules 2022, 27(17), 5606; https://doi.org/10.3390/molecules27175606 - 31 Aug 2022
Cited by 19 | Viewed by 4302
Abstract
A novel stability-indicating, reversed-phase, high-performance liquid chromatography (RP-HPLC) method was developed and validated for the determination of favipiravir in an oral suspension. The effective separation of favipiravir and its degradation products was achieved on a Zorbax Eclipse Plus C18 column (5 μm particle [...] Read more.
A novel stability-indicating, reversed-phase, high-performance liquid chromatography (RP-HPLC) method was developed and validated for the determination of favipiravir in an oral suspension. The effective separation of favipiravir and its degradation products was achieved on a Zorbax Eclipse Plus C18 column (5 μm particle size, 150 mm length × 4.6 mm diameter). The mobile phase was prepared by mixing 5 mM of phosphate buffer (pH 3.5) and methanol in a 75:25 v/v ratio delivered at a 1.0 mL/min flow rate. The eluents were monitored using a photodiode array detector at a wavelength of 322 nm. The stability-indicating nature of this method was evaluated by performing force degradation studies under various stress conditions, such as acidic, alkali, oxidative, thermal, and photolytic degradation. Significant degradation was observed during the alkali stress degradation condition. The degradation products generated during various stress conditions were well separated from the favipiravir peak. In addition, the major degradation product formed under alkali stress conditions was identified using UPLC-ESI-TQ-MS/MS and NMR. Method validation was performed according to the ICH Q2 (R1) guideline requirements. The developed method is simple, accurate, robust, and reliable for routine quality control analysis of favipiravir oral suspensions. Full article
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