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PLANT PHYSIOLOGY AND BIOCHEMISTRY · 2024 · IF 6.1

Metabolic profiling of Citrus maxima L. seedlings in response to cadmium stress using UPLC-QTOF-MS

Shangguang Du,Hao Wan,Jun Luo,Xiaohua Duan,Zhengrong Zou

Cadmium (Cd) pollution significantly reduces agricultural crop yields. In our research, metabolomic changes in Citrus maxima L. subjected to Cd stress were investigated using ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) in tandem with multivariate analytical techniques. This integrative method, coupled with physiological evaluations, aimed to elucidate the core adaptive mechanisms to Cd stress. We found that under Cd stress, C . maxima seedlings exhibited elevated levels of reactive oxygen species , malondialdehyde , and electrolyte leakage. Furthermore, principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) demonstrated distinct a separation of the metabolome among the different treatment groups under Cd stress, indicating dynamic metabolic changes. Metabolic analysis suggested that genes involved are initially induced by Cd treatment, followed by the activation of the flavonoid biosynthesis pathway. This investigation provides new insights into the complex metabolic responses of C. maxima seedlings to Cd exposure.

研究领域: 植物学 · 环境科学 · 代谢组学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Lipid fingerprinting and geographical origin identification of large yellow croaker (Larimichthys crocea) using UHPLC-QTOF-MS

Haolei Han,Xiangxin Lin,Yuxuan Wu,Houru Li,Qi Jia,Changmin Hu,Yixuan Lin,Guangqin Liao,Yongzhong Qian,Jing Qiu

The Large Yellow Croaker (LYC) with rich lipids offers numerous health benefits, yet its lipid profile remains underexplored. Therefore, the lipids of LYC were comprehensively profiled and compared based lipidomics. Higher nutritional value of LYC was identified based on lipid and fatty acid assessment, particularly ovary and brain. A total of 963 lipid species belonging to 47 lipid subclasses were identified, exhibiting higher levels of glycerophospholipids (GPs) and sphingolipids (SPs) in the brain, as well as high levels of glycolipids (GLs) in the muscle. Furthermore, unique lipid subclasses were detected in the brain (Acylcarnitine (CAR), Alpha-hydroxy-N-stearoyl phytosphingosine (Cer-AP)) and ovary (N-arachidonoyl glycine (NAGly)). Notably, 8 lipid subclasses were selected as potential contributors for four tissues differentiation. Additionally, identification of LYC from various origins was achieved through lipidomics for the first time. LYC from Zhejiang and Fujian provinces could be distinguished by 100 lipid biomarkers. Most different lipids significantly negatively correlated with seawater pH and dissolved oxygen, but positively correlated with netting density, depth, environmental temperature and salinity. This comprehensive analysis provided valuable insights into LYC’s nutritional values and origin identified.

研究领域: 水产科学 · 生物化学 · 食品科学
✓ 已验证 DOI PubMed 高影响因子
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Journal of Chromatography Open · 2025 · IF 3.2

A high-performance liquid chromatography method for detecting acylation impurities in acetate triptorelin microspheres for injection

Yan-nan Zan,Yu Chen,Fei Xie,Shao-hua Shang,Ning Chen,Yi-mei Ding

An efficient high-performance liquid chromatography (HPLC) method was established to detect acylated impurities in triptorelin acetate microspheres for injection. Additionally, HPLC coupled with quadrupole time-of-flight tandem mass spectrometry (HPLC-QTOF-MS) was employed to identify the types of acylated impurities. In HPLC, the separation of triptorelin and its acylated impurities was achieved on a Welch Ultimate XB-C18 column (250 mm × 4 mm, 5 μm). The mobile phase consisted of a 20 mmol·L -1 aqueous solution of ammonium acetate (pH 6.9) and acetonitrile, delivered in a gradient elution mode with a flow rate of 0.5 mL min -1 . The detection wavelength was set at 210 nm. For the HPLC-QTOF-MS method, the aforementioned HPLC conditions were utilized, and the mass spectrometer employed an electrospray ionization (ESI) ion source in positive ion mode. The scanning range spanned from 100 to 2000 m/z . The carrier gas was N 2 , with an atomization gas flow rate of 3 L·min -1 . The interface voltage was maintained at 4.5 kV, the desolvation temperature at 250 °C, and the drying gas flow rate at 15 L·min -1 . Additionally, the heating block temperature was set at 400 °C, and the interface temperature at 350 °C. Results Using this method, 14 types of acylated impurities in triptorelin were identified, further confirming that the acylation site of triptorelin is the serine alcohol hydroxyl group. Conclusion Both the HPLC and HPLC-QTOF-MS methods can be effectively utilized for routine quality control analysis of triptorelin acetate microspheres for injection.

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Journal of Food Measurement and Characterization · 2021 ·Vol. 15 ·期 5 ·3873-3883 · IF 2.431

Comparison of the chemical-antioxidant profiles of different parts of Citrus reticulata Blanco (Rutaceae) based on OLE-HPLC-DAD-MS/MS-ABTS assay

Qian Zheng-ming,Huang Qi,Feng Xiao-long,Li De-qiang

Given the safety of synthetic antioxidants, people are increasingly inclined to develop and use natural antioxidants. However, rapid screening and identification of active ingredients from the complex systems of natural products is one of the major challenges for the modernization of traditional Chinese medicine. In this study, online extraction-high performance liquid chromatography-diode array detection-quadrupole time-of-flight mass spectrometry coupled with ABTS antioxidant assay (OLE-HPLC-DAD-QTOF-MS/MS-ABTS), in which sample preparation, separation, detection and antioxidant assay were integrated in a single step, was used to rapidly identify antioxidant components from the different parts of Citrus reticulata , including its peels, leaves, vascular bundies and seeds. After method validation (system adaptability, extraction yield and repeatability), the four samples of different botanical parts were analyzed. As a result, among 49 found chromatographic peaks, 33 peaks displayed varying degrees of antioxidant activity and 39 peaks were tentatively or unambiguously identified based on their retention time, UV spectrum and mass spectrometry information and the comparison with reference substance and data in literature, including 10 phenolic acids, 9 polymethoxy flavonoids, 7 flavonoid- O -glycosides and 13 other ingredients. It is concluded that the established method is simple, fast, and reliable, which not only saves the materials and solvents as well as time, but also reduces the risk of degradation of chemical components during the extraction process, suitable for rapid screening and identification of antioxidant components of complex mixture.

CAS / MDL: 7727-21-1
研究领域: 生药学 · 分析化学 · 天然产物 · 中药学
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Antioxidants · 2021 ·Vol. 10 ·期 8 ·1317 · IF 6.313

Ultrasound-Assisted Extraction Optimization of Proanthocyanidins from Kiwi (Actinidia chinensis) Leaves and Evaluation of Its Antioxidant Activity

Ji-Min Lv,Mostafa Gouda,Yan-Yun Zhu,Xing-Qian Ye,Jian-Chu Chen

Using ultrasound (US) in proanthocyanidin (PA) extraction has become one of the important emerging technologies. It could be the next generation for studying the US mechnophore impact on the bioactive compound’s functionality. The objective of this study was to demonstrate the potential of US treatment on PAs extracted from kiwifruit (Actinidia chinensis) leaves, and to provide a comprehensive chemical composition and bioactivity relationship of the purified kiwifruit leaves PAs (PKLPs). Several methods like single-factor experiments and response surface methodology (RSM) for the four affected factors on US extraction efficiency were constructed. HPLC-QTOF-MS/MS, cytotoxicity analysis, and antioxidant activity were also demonstrated. In the results, the modeling of PA affected factors showed that 40% US-amplitude, 30 mL/g dry weight (DW) solvent to solid ration (S/S), and 70 °C for 15 min were the optimum conditions for the extraction of PAs. Furthermore, PKLPs exhibited significant radical scavenging and cellular antioxidant activity (p< 0.05). In conclusion, this study’s novelty comes from the broad prospects of using US in PKLP green extraction that could play an important role in maximizing this phytochemical functionality in drug discovery and food science fields.Keywords:proanthocyanidins;ultrasound-assisted extraction;kiwifruit leaves;extraction optimization;HPLC-QTOF-MS/MS;antioxidant potential

CAS / MDL: 64-17-5 67-64-1
研究领域: 植物化学 · 食品科学 · 药物发现 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Heliyon · 2023 · IF 4

UPLC-QTOF-MS-based lipidomic study of wedelolactone in acute colitis mice induced by dextran sulfate sodium

Yuanyuan Gou,Zichen Wang,Liping Zhou,Jinpan Du,Jiaxin Huang,Jing Li,Xuyu Zhang,Su Guan

Inflammatory bowel disease is a relapsing inflammatory disease seriously endanger human health. Wedelolactone (WED) is a major active ingredient from Eclipta prostrata (L.) L. and has shown anti-inflammatory effects. However, the mechanism of WED in treating inflammatory colitis remains unknown. We aimed to investigate the mechanisms of WED in treating ulcerative colitis through lipidomic study. Sixty male C57BL/6 mice were exposed to DSS to induce acute colitis. Disease progression was judged by the disease activity index (DAI) and pathological changes of colon tissue. An ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) method was performed for colon and plasma lipidomics analyses. Differential metabolites in the three groups were distinguished by univariate and multivariate analysis. WED exerted anti-inflammatory effects representing by body weight and DAI score. Three metabolites were identified in plasma and 20 in colon. According to pathway analysis, the effects of WED on colitis were associated with seven pathways. The glycerophospholipid metabolism and ether lipid metabolism were the primary pathways. The findings provide important insight of the mechanism of WED in treating DSS induced colitis through lipidomic perspective.

研究领域: 药理学 · 炎症性肠病研究 · 代谢组学
✓ 已验证 DOI PubMed 高影响因子
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MOLECULES · 2023 ·Vol. 28 ·期 2 ·656 · IF 4.6

Profiling of Homocysteine Metabolic Pathway Related Metabolites in Plasma of Diabetic Mellitus Based on LC-QTOF-MS

Chanyi Li,Jiaying Qin,Wuping Liu,Bo Lv,Ning Yi,Jinfeng Xue,Zhigang Xue

Background: Homocysteine (Hcy) has been found to be closely related to the occurrence of diabetes mellitus (DM) and is considered as one of the risk factors of DM. However, Hcy alone is not enough as a factor to predict DM, and our study analyzed and determined the relationship between the main metabolites involved in the Hcy metabolic pathway and DM. Methods: A total of 48 clinical samples were collected, including 18 health control samples and 30 DM samples. All standards and samples were detected by LC-QTOF-MS. Multivariate statistical analysis and k-means cluster analysis were performed to screen and confirm the metabolites significantly correlated with DM. Results: A total of 13 metabolites of the Hcy metabolic pathway were detected in the samples. The content of Hcy, cysteine, taurine, pyridoxamine, methionine, and choline were significantly increased in the DM group (p< 0.05). Hcy, choline, cystathionine, methionine, and taurine contributed significantly to the probabilistic principal component analysis (PPCA) model. The odds ratios (OR) of Hcy, cysteine, taurine, methionine, and choline were all greater than one. K-means cluster analysis showed that the Hcy, taurine, methionine, and choline were significantly correlated with the distribution of glucose values (divided into four levels: 10.5–11.7 mmol/L, 7.7–9.7 mmol/L, 6.0–6.9 mmol/L, and 5.0–5.9 mmol/L, respectively). Conclusion: Hcy, taurine, methionine, and choline can be used as risk factors for diabetes diagnosis and are expected to be used for the assessment of diabetes severity.Keywords:homocysteine metabolism;diabetes;LC-MS;clinical diagnosis

CAS / MDL: 50-81-7
研究领域: 代谢组学 · 糖尿病研究 · 临床化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2023 · IF 8.8

Unravelling dynamic changes in non-volatile and volatile metabolites of pulses during soaking: An integrated metabolomics approach

Lei He,Qian Hu,Liyang Wei,Xuliyang Ge,Ning Yu,Ying Chen

An integrated metabolomics approach based on UPLC-QTOF-MS and HS-SPME-GC-orbitrap-MS was performed to investigate the dynamic changes of metabolite profiling in chickpeas, red speckled kidney beans, and mung beans during soaking. There were 23, 23, 16 non-volatile metabolites, and 18, 21, 22 volatile metabolites were identified as differential metabolites in chickpeas, red speckled kidney beans, and mung beans during soaking, respectively. These metabolites mainly included flavonoids, lysophosphatidylcholines (LPCs), lysophosphatidylethanolamines (LPEs), fatty acids, alcohols, aldehydes, and esters. The key time points responsible for the significant changes in metabolites and quality of the three pulses were 4, 8, and 24 h of soaking. Results revealed that the variations of some metabolites could attribute to oxidation and hydrolysis reactions. These results contribute to a better understanding of how soaking affects pulses quality, and provide useful information for determining soaking time according to nutritional and sensory requirements of their final products or dishes.

研究领域: 食品科学 · 代谢组学 · 植物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Scientific Reports · 2017 ·Vol. 7 ·期 1 ·1-10 · IF 4.259

Degradation of phenylethanoid glycosides in Osmanthus fragrans Lour. flowers and its effect on anti-hypoxia activity

Zhou Fei,Zhao Yajing,Li Maiquan,Xu Tao,Zhang Liuquan,Lu Baiyi,Wu Xiaodan,Ge Zhiwei

This study was aimed at investigating the chemical stability (the thermal, light and pH stability) of phenylethanoid glycosides (PhGs) in Osmanthus fragrans Lour. flowers, identifying the degradation products of acteoside and salidroside (major PhGs in O. fragrans flowers) by UPLC–QTOF–MS and studying the anti-hypoxia activity of PhGs after degradation. The degradation of PhGs followed first-order reaction kinetics, and the rate constant of acteoside (4.3 to 203.4 × 10 −3  day −1 ) was higher than that of salidroside (3.9 to 33.3 × 10 −3  day −1 ) in O. fragrans flowers. Salidroside was mainly hydrolyzed to tyrosol during storage, and the degradation products of acteoside were verbasoside, caffeic acid, isoacteoside, etc. In a model of cobalt chloride (CoCl 2 )-induced hypoxia in PC12 cells, the anti-hypoxia ability of PhGs decreased after degradation, which resulted from the reduction of PhGs contents. Particularly, caffeic acid exhibited stronger anti-hypoxia ability than acteoside and could slightly increase the anti-hypoxia ability of degraded acteoside. The results revealed that high temperature, high pH and light exposure caused PhGs degradation, and thus the anti-hypoxia ability of PhGs reduced.

研究领域: 药理学 · 植物化学 · 生物化学
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES · 2026 · IF 2.5

Immobilized enzyme reactor coupled with UHPLC-QTOF-MS for screening acetylcholinesterase inhibitory leads from Aconitum carmichaelii aerial parts

Danling Mei,Haojie Su,Yanyan Zhao,Xiaodan Zhang,Caiying Jiang,Xueqin Zhao

The aerial parts of Aconitum carmichaelii Debx. (AAL), an abundant but discarded agricultural byproduct, represent an unexplored source of acetylcholinesterase (AChE) inhibitors. However, the direct screening of bioactive leads from such a complex matrix poses significant analytical challenges. Herein, we report an integrated platform coupling a magnetic immobilized enzyme reactor with ultra-high performance liquid chromatography–quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS) for effective screening of AChE inhibitory leads. The AChE was immobilized on magnetic chitosan microbeads (AChE@MCM) to create a reusable and stable bioreactor with an impressive 80.9% activity recovery and the ability to be reused over 8 times, along with enhanced pH stability. When applied to AAL extracts, this strategy efficiently fished out five potential AChE inhibitory leads with diverse structures, directly unveiling the untapped medicinal potential of this waste resource. Our work not only provides a sustainable approach to utilizing agricultural byproducts but also validates a powerful tool for rapid bioactivity-guided screening in complex natural products.

✓ 已验证 DOI PubMed 高影响因子
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MOLECULES · 2024 ·Vol. 29 ·期 5 ·1046 · IF 4.2

Effects of Rhizopus-arrhizus-31-Assisted Pretreatment on the Extraction and Bioactivity of Total Flavonoids from Hibiscus manihot L.

Xiurong Ju,Tao Chen,Yutao Ding,Dan Yu,Jingyu Zhang,Ruyuan Zhang,Yang Zhang,Xinyu Wang,Tao Xu,Jiayou Li

TheHibiscus manihotL. (HML) Medic, an edible hibiscus of the Malvaceae family, is abundant with flavonoids. The study investigated howRhizopus-arrhizus-31-assisted pretreatment affects the extraction and bioactivity of flavonoids from HML. The fiber structure of the fermented flavonoid sample (RFF) appears looser, more porous, and more disordered than the unfermented flavonoid sample (RUF). RFF demonstrates milder conditions and yields higher extraction rates. According to the Box–Behnken response surface optimization experiment, the optimal conditions for RFF include a material–liquid ratio of 1:41 g/mL, a 2 h extraction time, a 57% ethanol concentration, and an extraction temperature of 800 °C, resulting in a 3.69% extraction yield, which is 39.25% higher than that of RUF. Additionally, RFF exhibits greater activity than RUF in the radical-scavenging system. The IC50 values for DPPH, OH, and ABTS radicals are 83.43 μg/mL and 82.62 μg/mL, 208.38 μg/mL and 175.99 μg/mL, and 108.59 μg/mL and 75.39 μg/mL for RUF and RFF, respectively. UPLC-QTOF-MS analysis of the active components in the HML flavonoid sample revealed significant differences in the chromatograms of RUF and RFF, indicating that biofermentation led to substantial changes in composition and content from HML.

研究领域: 药用植物学 · 生物技术 · 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2023 · IF 6.1

Comprehensive analysis in the nutritional composition, phenolic species and in vitro antioxidant activities of different pea cultivars

Shi-Kang Chen,Hai-Feng Lin,Xin Wang,Yi Yuan,Jun-Yi Yin,Xiao-Xiao Song

In this study, ten pea ( Pisum sativum L.) varieties were compared in their nutrient composition, phenolic compounds, antioxidant properties and their diversity were deciphered by multivariate analysis of correlation analysis and principal component analysis (PCA). The ten pea cultivars are rich in nutrients with different contents in lipid (0.57 to 3.52%), dietary fiber (11.34 to 16.13%), soluble sugar (17.53 to 23.99%), protein (19.75 to 26.48%) and starch (32.56 to 48.57%). Through the UPLC-QTOF-MS and HPLC-QQQ-MS/MS analysis, the ethanol extracts of ten peas mainly included 12 kinds of phenolic substances and showed good antioxidant activities on the 1,1-Diphenyl-2-picrylhydrazyl (DPPH) radical scavenging, ferric reducing antioxidant power (FRAP) and oxygen radical absorbance capacity (ORAC). The phenolic content and protocatechuic acid showed a positive correlation with antioxidant capacity. All results provide theoretical basis for the development and rational application of different varieties of peas and their related products.

CAS / MDL: 108-95-2
研究领域: 食品科学 · 营养学 · 农业化学 · 植物科学
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