CHROMATOGRAPHIA
·
2019
·Vol. 83
·期 1
·87-93
·
IF 1.552
Cui Peng,Fang Hong-Xia,Qian Chen,Cheng Man-Huan
In this study, based on depolymerization solution of commercially available sodium lignosulfonate under mild conditions, an efficient method for the chromatographic separation of lignosulfonate depolymerization products was firstly established. The self-built database contains 18 lignin-based standards and the information on their names, formulas, structures, retention times, fragments, and corresponding MS E data was developed. By searching the online spectral data in a novel informatics database, a total of nine aromatic lignin depolymerization products were identified automatically. Thus, a fast standard protocol for detection and identification of real lignin degradation products was preliminary built.
研究领域:
分析化学
·
林产化学
·
环境科学
✓ 已验证
DOI
高影响因子
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE
·
2024
·
IF 2.6
Li Ya,Liang Jianfeng,Liang Lili
Pile fermentation plays a crucial role in the formation of the unique flavor of Liupao tea, which can effectively reduce the bitterness of the tea and promote the formation of red tea soup. In this study, the non-volatiles changes of Liupao tea during pile fermentation processing were fully analyzed by UPLC-QTOF-MS/MS. A total of 271 metabolites with significant differences were identified in Liupao tea during pile fermentation( P < 0.01, VIP > 1), and their trends were grouped into 10 subclasses by K-means analysis. Three differential metabolites Choline Alfoscerate, N1-Methyl-4-pyridone-5-carboxamide, and 2-Aminovalienone were shared among the three different pile fermentation periods. The results provided valuable information for understanding the dynamic changes of non-volatile substances during the pile fermentation process of Liupao tea.
研究领域:
食品科学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xiao Shan,Lin Li,Yu Liu,Ziwei Wang,Binbin Wei,Zhongbo Zhang
Almonds are a commonly consumed nut. They possess significantof nutritional and health benefitsand are commonly processed by roasting. This study aimed to investigatthe effects of roasting on the compound composition and antioxidant activity of almonds. Metabolomics analysis, performed via UPLC-QTOF/MS, and fatty acid analysis, conducted via GC–MS, employed, and the results demonstrated a significant increase in antioxidant activity of post-roasting and in vitro digestion, ranging from 1.16 to 3.44 times. Untargeted metabolomics identified a total of 172 compounds, with notable differences observed in organic oxides, fatty acids, and their derivatives. Correlation analysis identified fatty acids as the primary influencers of changes in antioxidant activity following roasting. Taken together, these findings suggest that roasting enhances the antioxidant activity of almonds, primarily due to alterations in fatty acid analogs, thereby providing valuable insights into optimizing almond consumption for health benefits.
研究领域:
食品科学
·
营养学
·
分析化学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2016
·
IF 3.449
Lu Zhang,Zong-cai Tu,Xing Xie,Yu Lu,Zhen-xing Wang,Hui Wang,Xiao-mei Sha
This research aimed to compare the antihyperglycemic and antioxidant abilities, and to characterize the bioactive constituents of two Acer palmatum cultivars, Acer palmatum ‘ Atropurpureum ’ (APA) and Acer palmatum Thunb (APT). Dry materials were respectively extracted with 70% and 90% methanol, followed by sequentially fractionation with ethyl acetate and n -butanol. The phytochemical profile of selected fraction was determined by using UPLC-QTOF-MS/MS. APT is a better source of natural antioxidants and α- glucosidase inhibitors than APA due to its higher total phenolic content (TPC), and stronger antioxidant and α- glucosidase inhibitory activities. The highest total phenolic and total flavonoid content were found in the ethyl acetate fraction (EAF) of 90% methanol extract of APT (468.49 mg GAE/g Extract) and 70% methanol extract of APA (142.60 mg QuE/g Extract), respectively. The EAF of 70% methanol extract of APT gave the strongest DPPH· scavenging ability, ABTS + · scavenging ability and α- glucosidase inhibitory, with the IC 50 values of 7.06, 4.18 and 1.99 μg/mL, respectively. The latter two were much higher than that of individual positive control. HPLC analysis revealed similar phytochemical profiles of all EAFs. Twenty-five compounds, including 3 organic acids, 5 phenolic acids, 8 tannins, 7 flavonoids and 2 proanthocyanidins, were identified or tentatively identified from APT, with tannins and flavonoid glucosides as the major active compounds. The results indicated a strong potential of Acer palmatum as a natural source of excellent antioxidants and antihyperglycemic compounds in the prevention and treatment of type II diabetes and its complication.
研究领域:
植物学
·
药理学
·
代谢疾病研究
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF FOOD SCIENCES AND NUTRITION
·
2019
·
IF 2.792
Jin Li,Jian Zeng,Jinming Peng,Yangyang Jia,Chun-Mei Li
A-type epigallocatechin-3-gallate (EGCG) and epicatechin-3-O-gallate (ECG) dimers have multiply biological activities. In this study, the pharmacokinetics of them were investigated in mice after a single dose intravenous administration, and the metabolites in mice plasma and urine were investigated by ultra-performance liquid chromatography-Quadrupole-time of flight mass spectrometer (UPLC-QTOF-MS). Our results showed that the half-life (t1/2) of A-type EGCG and ECG dimers were 116.37 min and 33.04 min, respectively, and the maximal concentration in plasma was 32.81 μg/mL and 55.59 μg/mL, respectively. It was found that two dimers were firstly experienced by quinone methide (QM) fission to form the EGCG and ECG analogue, and the phase II metabolites were generated subsequently. The main metabolites in plasma and urine were glucuronidation and sulphation derivatives. In addition, small molecule weight of phenolic acids were detected in urine.
研究领域:
药理学
·
分析化学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD BIOCHEMISTRY
·
2025
·Vol. 2025
·期 1
·8616106
·
IF 4.2
Chen Chen,Zengrong Ye,Jianan Li,Na Liu,Bo Wang,Guoying Zhou
Rheum tanguticum petiole juice, widely consumed in Tibet as both a vegetable and an herb, exhibits varying chemical compositions depending on the production methods. This study aims to identify the bioactive components in raw juice using ultra-performance liquid chromatography–quadrupole time-of-flight tandem mass spectrometry (UPLC–QTOF–MS–MS) and analyze their antidiabetic properties through network pharmacology. In addition, the effects of the three types of membrane clarification were evaluated. A total of 36 compounds were identified, and a components–targets–pathways–disease network was constructed for diabetes treatment. Among the membranes tested, the 0.2 μm microfiltration membrane exhibited the highest permeate flux and retained significant amounts of total flavonoids, phenolics, and proanthocyanidins, making it the optimal choice for juice clarification. These findings lay the groundwork for the industrial processing and utilization of R . tanguticum petiole juice in China.
研究领域:
植物化学
·
分析化学
·
药理学
·
食品科学
·
膜技术
·
糖尿病研究
✓ 已验证
产品关联
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2024
·
IF 4.9
Weihang Lu,Tao Chen,Cheng Shen,Denglang Zou,Juyuan Luo,Shuo Wang,Zhibo Song,Jing Jia,Yulin Li
In the present study, an efficient strategy has been established for rapid screening of potential α-glucosidase inhibitors from the waste leaves of Rheum tanguticum by activity-oriented extraction and enrichment optimization, UPLC-QTOF-MS/MS, molecular docking, and in vitro validation. With α-glucosidase inhibitory activity as the evaluation index, the extraction process was optimized by response surface methodology and the enrichment process by macroporous resins was optimized by adsorption and desorption experiments. The active flavonoids yield was 8.85 mg/g under the optimized extraction conditions. After AB-8 macroporous resins enrichment, the active flavonoids purity increased from 2.89 % to 47.6 %, a 17-fold increase, while the IC 50 of α-glucosidase reduced from 13.97 mg/mL to 412 μg/mL, a 33.9-fold reduction. Thirty-six flavonoids in the active flavonoids fraction were identified by UPLC-QTOF-MS/MS. Molecular docking screening, in vitro activity assay and multispectral approaches verification confirmed the potential of six flavonoids as novel α-glucosidase inhibitors.
研究领域:
药理学
·
分析化学
·
分子生物学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Yuan Pan,Hui-Wen Gu,Yi Lv,Xiao-Li Yin,Ying Chen,Wanjun Long,Haiyan Fu,Yuanbin She
Identifying geographical origins of red wines made in specific regions is of significance since the false claim of geographical origins has been frequently exposed in China's wine industry. In this work, an untargeted metabolomic approach based on UPLC-QTOF-MS was established to discriminate geographical origins of Chinese red wines. The principal component analysis (PCA) showed significant differences between wine samples from three famous geographical origins in China. The metabolites contributing to the differentiation were screened by orthogonal partial least squares-discriminant analysis (OPLS-DA) with pairwise modeling. 40 and 46 differential metabolites in positive and negative ionization modes were putatively identified as chemical markers. Furthermore, heatmap visualization and OPLS-DA models were constructed based on these identified markers and external verification wine samples from different regions were successfully discriminated, with recognition rate up to 96.7%. This study indicated that UPLC-QTOF-MS-based untargeted metabolomics has great potential for the geographical origin traceability of Chinese red wines.
研究领域:
食品科学
·
分析化学
·
代谢组学
·
葡萄酒科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2023
·
IF 8.1
Ziwei Wang,Lin Zhou,Wenqian Hao,Yu Liu,Xia Xiao,Xiao Shan,Chenning Zhang,Binbin Wei
P. pseudocerasus and P. tomentosa are the two native Chinese cherry species of high economic and ornamental worths. Little is known about the metabolic information of P. pseudocerasus and P. tomentosa . Effective means are lacking for distinguishing these two similar species. In this study, the differences in total phenolic content (TPC), total flavonoid content (TFC), and in vitro antioxidant activities in 21 batches of two species of cherries were compared. A comparative UPLC-QTOF/MS-based metabolomics coupled with three machine learning algorithms was established for differentiating the cherry species. The results demonstrated that P. tomentosa had higher TPC and TFC with average content differences of 12.07 times and 39.30 times, respectively, and depicted better antioxidant activity. Total of 104 differential compounds were identified by UPLC-QTOF/MS metabolomics. The major differential compounds were flavonoids, organooxygen compounds, and cinnamic acids and derivatives. Correlation analysis revealed differences in flavonoids content such as procyanidin B1 or isomer and (Epi)catechin. They could be responsible for differences in antioxidant activities between the two species. Among three machine learning algorithms, the prediction accuracy of support vector machine (SVM) was 85.7%, and those of random forest (RF) and back propagation neural network (BPNN) were 100%. BPNN exhibited better classification performance and higher prediction rate for all testing set samples than those of RF. The study herein found that P. tomentosa had higher nutritional value and biological functions, and thus considered for usage in health products. Machine models based on untargeted metabolomics can be effective tools for distinguishing these two species.
研究领域:
植物科学
·
代谢组学
·
植物化学
·
机器学习
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2020
·
IF 4.006
Xianrui Liang,Yan Jiang,Zili Guo,Sheng Fang
Trapa quadrispinosa , commonly known as water caltrop, has long been consumed as a food in Asian countries and its pericarp is discarded as waste after the fruit is harvested. In this study, a reliable method was established using UPLC-QTOF-MS/MS to identify the main compounds in Trapa quadrispinosa pericarps (TQP). The UPLC parameters including column, mobile phase, and temperature were optimized. The extraction parameters including solvents, temperatures and solid-to-liquid ratios were also optimized. A total of 35 compounds were tentatively assigned. The QTOF-MS/MS fragmentation pathways of these compounds were proposed. The most abundant compound (1,2,3,6-tetra-O-galloyl- β - d -glucose) was further purified by a semi-preparative HPLC and confirmed by 1 H- and 13 C-NMR. Hydrolyzable tannins (gallotannins and ellagitannins) consisting of almost 90% polyphenols were obtained from the TQP extracts. Three of the main hydrolyzable tannins were 1,2,3,6-tetra-O-galloyl- β - d -glucose, tri-O-galloyl-hexahydroxydiphenoyl- d -glucose, and tri-O-galloyl- d -glucose. The TQP extracts exhibited better antioxidant activity in the DPPH assay than that of the ascorbic acid standard. This study provides valuable information for the utilization of TQP as an alternative source of plant-derived antioxidants.
研究领域:
分析化学
·
植物化学
·
食品科学
·
药理学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2016
·
IF 2.687
Yuxin Li,Yan Hong,Yanquan Han,Yongzhong Wang,Lunzhu Xia
Ginger ( Zingiber officinale Rosc.) is a common dietary adjunct that contributes to the taste and flavor of foods, and is also an important Traditional Chinese medicine (TCM). Different processing methods can produce different processed gingers with dissimilar chemical constituents and pharmacological activities. In this study, an ultra-performance liquid chromatography/quadrupole-time-of-flight mass spectrometry (UPLC/QTOF-MS) was applied to identify the complicated components from fresh, dried, stir-frying and carbonized ginger extracts. All of the 27 compounds were identified from four kinds of ginger samples (fresh, dried, stir-frying and carbonized ginger). Five main constituents (zingerone, 6-gingerol, 8-gingerol, 6-shogaol and 10-gingerol) in these four kinds of ginger sample extracts were simultaneously determined by UPLC-PDA. Meanwhile, the antioxidant effect of fresh, dried, stir-frying and carbonized gingers were evaluated by three assays (2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis(3-ethylbenzthiazolinesulfonic acid) diammonium salt (ABTS), and ferric reducing antioxidant power (FRAP)). The results demonstrated that antioxidant activity of dried ginger was the highest, for its phenolic contents are 5.2-, 1.1- and 2.4-fold higher than that of fresh, stir-frying and carbonized ginger, respectively, the antioxidant activities’ results indicated a similar tendency with phenolic contents: dried ginger > stir-frying ginger > fresh ginger > carbonized ginger. The processing contributed to the decreased concentration of gingerols and the increased levels of shogaols, which reducing the antioxidant effects in pace with processing. This study elucidated the relationship of the heating process with the constituents and antioxidant activity, and provided a guide for choosing different kinds of ginger samples on clinical application.
研究领域:
食品科学
·
中药学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
·
2017
·Vol. 32
·期 3
·262-268
·
IF 1.998
Xiafen Xu,Xinhui Li,Xianrui Liang
Rationale Metabolites of isoflavones have attracted much attention in recent years due to their potential bioactivities. However, the complex constituents of the metabolic system and the low level of metabolites make them difficult to analyze. A mass spectrometry (MS) method was applied in our identification of metabolites and study of their fragmentation pathways due to the advantages of rapidity, sensitivity, and low level of sample consumption. Methods Three isoflavone glycosides and their metabolites were identified using ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/QTOF-MS). These metabolites were obtained by anaerobically incubating three isoflavone glycosides with human intestinal flora. The characteristic fragments of isoflavone glycosides and their metabolites were used for the identification work. Results Two metabolites from ononin, three metabolites from irilone-4′- O -β-D-glucoside, and five metabolites from sissotrin were identified respectively by the retention time (RT), accurate mass, and mass spectral fragmentation patterns. The losses of the glucosyl group, CO from the [M+H] + ion were observed for all the three isoflavone glycosides. The characteristic retro-Diels-Alder (RDA) fragmentation patterns were used to differentiate the compounds. The metabolic pathways of the three isoflavone glycosides were proposed according to the identified chemical structures of the metabolites. Conclusions A selective, sensitive and rapid method was established for detecting and identifying three isoflavone glycosides and their metabolites using UPLC/QTOF-MS. The established method can be used for further rapid structural identification studies of metabolites and natural products. Furthermore, the proposed metabolic pathways will be helpful for understanding the in vivo metabolic process of isoflavone.
研究领域:
分析化学
·
药理学
·
营养学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）