FOOD RESEARCH INTERNATIONAL
·
2022
·
IF 7.425
Qiaoyu Liu,Jianjun Lin,Wenhong Zhao,Menglin Lei,Juan Yang,Weidong Bai
Dry-cured mackerel is favored by consumers for its suitable salty flavor. Herein, the dynamic changes of volatile compounds and lipids in the mackerel, and the lipidomics based on UPLC-Orbitrap/MS technique during dry-cured processing were investigated. The results showed that endogenous lipases activities in dry-cured mackerel decreased. The dry-cured processing of mackerel had significant effects on its lipid classes and content. The contents of Arachidonic acid (C20:4n6), docosapentaenoic acid (C22:5n3), linoleic acid (LA, C18:2n6), alpha-linolenic acid (C18:3n3), eicosatrienoic acid (C20:3n3) and docosahexaenoic acid (DHA, C22:6n3) increased during dry-cured processing. A total of 38 kinds of volatile compounds were detected in the dry-cured mackerel, 12 of which were derived from fatty acid oxidation. Among 30 lipid metabolites (FC ≥ 2 and VIP > 2), phosphatidylethanolamine (PE, 19:0/22:6) accounted for the highest content, and its difference between three stages was the most obvious. Glycerophospholipid and sphingolipid metabolisms were the most important metabolic pathways involved in dry-cured processing.
研究领域:
食品科学
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生物化学
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产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2021
·
IF 4.821
Guo-Sheng Li,Min-Hua Wang,Xing Fan,Xueming Dong,Xian-Yong Wei,Bo Chen,Jiao-Fei Wang
To provide basic knowledge for coal conversion, twenty one coal-related model compounds (MCs) were analyzed using a tandem Orbitrap mass spectrometer (MS). Higher-energy collisional dissociation (HCD), a method of Orbitrap MS, unraveled the detailed fragmentation pathways and de-alkylation behaviors of the ionized MCs under collision energies from 10 to 80 eV. Chemical bond breaking, hydrogen loss, rearrangement reaction, and elimination of neutral fragments were discussed to elucidate clear fragmentation pathways. For arenes without alkyl chains, a higher energy threshold of fragmentation was observed with the increasing of aromatic ring due to a higher conjugate effect of condensed aromatic structure. The existence of alkyl chains decreased the threshold of fragmentation because of the electron-donating effect of alkyl chains. Heteroatom-containing aromatic compounds, a series of important species in coal, showed a diversified fragmentation patterns due to a low bond dissociation energy and a weak conjugate effect compared with arenes. Fragmentation pathways and de-alkylation behaviors of coal-related MCs will contribute to building monitoring methods for coal and its derivatives conversions in chemical industry.
研究领域:
化学
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能源科学
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分析化学
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产品关联
DOI
高影响因子
Foods
·
2023
·Vol. 12
·期 24
·4434
·
IF 5.2
Ya-bo Ba,Rui Li,Jia-yi Zhang,Liang Zou,Ding-Tao Wu,Yi-chen Hu
Although quinoa is nutritious, its high fat content and lipase activity make it easily oxidized during storage. Meanwhile, quinoa’s lipid composition and changes during storage are still unknown. Therefore, we stored fresh quinoa flour at low temperature and low humidity (LL), normal temperature and normal humidity (NN), and high temperature and high humidity (HH) conditions for 120 days to assess its oxidative stability and to monitor the changes in lipid composition. Herein, the contents of fatty acids, the peroxide values, the malondialdehyde values, and the lipase activity in quinoa flour during storage are determined to evaluate its oxidation stability. At LL and NN conditions, the contents of fatty acids, the peroxide values, the malondialdehyde values, and the lipase activity changed slowly. They were 3 (LL) and 5 times (NN), 2.7 (LL) and 4.7 times (NN), 1.4 (LL) and 2.3 times (NN), and 1.5 (LL) and 1.6 times (NN) the initial content at storage up to 120 d. However, with the prolongation of storage time under HH conditions, they all increased significantly to 8, 6.6, 3, and 2 times the original content. Moreover, during the storage of quinoa under LL, NN, and HH conditions for 120 days, we continuously monitored the lipid composition of quinoa grains with UPLC-Q-Exactive Orbitrap MS/MS. We identified a total of 14 subclasses of 229 lipids, including 90 significantly different lipid species. PCA and PLS-DA showed that quinoa lipids in HH conditions changed significantly with prolonged storage; among these, the TG and DG classes were the most susceptible to oxidation, which could distinguish fresh quinoa from oxidized quinoa. Simultaneously, we also found that lipase activity has a significant impact on lipid metabolism through correlation analysis, which also indicates that enzyme inactivation treatment can slow down lipid hydrolysis and oxidation during storage. To explore the mechanism of these changes, we also identified twelve important lipid metabolism pathways during quinoa storage. In conclusion, our study advances knowledge of the storage stability and lipid oxidation mechanisms of quinoa and provides a theoretical basis for setting the shelf life of quinoa.Keywords:quinoa flour;lipase;storage oxidation;lipidomics;UPLC-Q-Exactive Orbitrap Mass spectrometry
研究领域:
食品科学
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植物学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2022
·Vol. 19
·期 9
·e202200118
·
IF 2.745
Bing-Kang Sun,Rui-Yu Wang,Bei Li,Xing Fan,Yuan Zhou,Bing Gu,Yang-Yang Yan
A rapid and accurate analytical method was established to identify CREC and CSEC. Orbitrap-MS was used to detect the polypeptide of CREC and CSEC strains, and MS data were analyzed by pattern recognition analyses such as hierarchical cluster analysis (HCA), principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), and orthogonal partial least squares discriminant analysis (OPLS-DA). HCA based on the farthest distance method could well distinguish the two types of E. coli , and the cophenetic correlation coefficient of the farthest distance method was 0.901. Comparing the results of PCA, PLS-DA, and OPLS-DA, OPLS-DA exhibited the highest accuracy in predicting the CREC and CSEC strains. A total of 26 compounds were identified, and six of the compounds were the highly significant difference between the two types of strains. MS combined with pattern recognition can achieve a more comprehensive and efficient statistical analysis of complex biological samples. Graphical
研究领域:
微生物学
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分析化学
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产品关联
DOI
PubMed
高影响因子
Scientific Reports
·
2017
·Vol. 7
·期 1
·1-15
·
IF 4.259
Sun Zhi,Zuo Lihua,Sun Tongwen,Tang Jinfa,Ding Daling,Zhou Lin,Kang Jian,Zhang Xiaojian
To clarify and quantify the chemical profiling of XueBiJing injection (XBJ) rapidly, a feasible and accurate strategy was developed by applying ultra high performance liquid chromatography-Q Exactive hybrid quadrupole-orbitrap high resolution accurate mass spectrometry (UHPLC-Q-Orbitrap HRMS). A total of 162 components were characterized, including 19 phenanthrenequinones, 33 lactones, 28 flavonoids and 12 phenolic acids and 51 other compounds. Among them, 38 major compounds were unambiguously quantified by comparing with reference standards. Meanwhile, 38 representative compounds were simultaneously detected in XBJ samples by Q-Orbitrap HRMS. Satisfactory linearity and correlation coefficient were achieved with wide linear range. The precisions, repeatability, stability and recovery were meeting requirements. The validated method was successfully applied for simultaneous determination of 38 bioactive compounds in 10 batches XBJ samples. In addition, the similarity evaluation of fingerprintings was applied to assess the quality of XBJ. And the results were evaluated by multiple statistical strategies and five compounds might be the most important chemical markers for chemical quality control of XBJ. Finally, a rapid and simple UPLC-MS/MS method was developed for determination of five markers in XBJ sample. This research established a high sensitive and efficient strategy for integrating quality control, including identification and quantification of XBJ.
研究领域:
药学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHEMOSPHERE
·
2023
·
IF 8.8
Xin Huang,Xueli Ren,Zengshuai Zhang,Peng Gu,Kunlun Yang,Hengfeng Miao
Dissolved organic matter (DOM) is reported to be a precursor to disinfection by-products (DBPs), which have adverse effects on human health. Therefore, it is crucial to effectively remove DOM before water disinfection . Characteristics of DOM and DBPs formation during advanced treatment processes including coagulation, adsorption, ultraviolet (UV) irradiation, and ozone (O 3 ) oxidation in municipal secondary effluent were investigated in this research. DOM was characterized by Fourier transform infrared spectroscopy (FTIR), excitation-emission matrix fluorescence spectroscopy (EEM), and Orbitrap mass spectrometry (Orbitrap MS). Moreover, DBPs formation potential under different advanced treatment processes was also discussed. FTIR results indicated that various functional groups existing in DOM may react with the disinfectant to form toxic DBPs. EEM analysis indicated that DOM in all water samples was dominated by soluble microbial product-like (SMPs) and humic acid-like (HA) substances. The municipal secondary effluent was abundant with DOM and rich in carbon, hydrogen, oxygen, and nitrogen atoms , contained a certain dosage of phosphorus and sulfur atoms, and the highest proportion is lignin. Most of the precursors (CHO features) had positive double bond equivalent subtracted oxygen per carbon [(DBE-O)/C] and negative carbon oxidation state (Cos) in all four different advanced treatment processes. DBPs formation potential (DBPFP) of coagulation, adsorption, UV irradiation, and O 3 oxidation advanced treatment processes were 487 μg L −1 , 586 μg L −1 , 597 μg L −1 , and 308 μg L −1 , respectively. And the DBPs precursors removal efficiency of coagulation, adsorption, UV irradiation, and O 3 oxidation advanced treatment processes were 50.8%, 40.8%, 39.8%, and 69.0%, respectively. This study provides in-depth insights into the changes of DOM in municipal secondary effluent at the molecular level and the removal efficiency of DBPs precursors during coagulation, adsorption, UV irradiation, and O 3 oxidation advanced treatment processes.
研究领域:
环境科学
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公共卫生
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产品关联
DOI
PubMed
高影响因子
Scientific Reports
·
2025
·Vol. 15
·期 1
·1-19
·
IF 3.9
Shu Liangyin,Xiao Shunli,Li Kailin,Luo Huibin,Li Meng,Yang Qingrui,Gao Bowen,Li Jiaxin,Yan Fang,Cai Wei
Didymocarpus heucherifolius Hand.-Mazz. is plant of the genus Didymocarpus wall. (Gesneriaceae). Species in this genus have long been used in folk medicine to treat various illnesses, including wounds, kidney stones, inflammations, asthma, influenza, etc. However, there are few studies on chemical components. Crude plant extracts are a complex mixture of several biologically active specialized metabolites. Therefore, a rapid and accurate identification and quantification are critical in phytochemical analysis. An efficient approach based on molecular networking strategy coupled with ultra high-performance liquid chromatography coupled with Q-Exactive Orbitrap tandem mass spectrometry (UHPLC Q-Exactive Orbitrap MS) was used to analyze the chemical components systematically. The chemical was identified using retention time, accurate molecular weight, parent peaks, fragment peaks, fragmentation characteristics, comparative analysis with the literature, reference standards, and standard databases, including mzVault. A total of 108 compounds (32 phenylpropanoids, 14 phenolic acid, 6 fatty acids, 14 organic acid, 9 flavonoid, 15 amino acids, and 28 other components) were identified in the leaves and roots of D. heucherifolius in which 84 and 84 compounds were found in the leaves and roots, respectively. The results showed that 68 components were different in plant roots and leaves, and these compounds were mainly represented in organic acids. Moreover, 50 identical chemical compounds were identified in plant roots and leaves, and these compounds were mainly phenylpropanoid compounds. The UHPLC Q-Exactive Orbitrap MS method was used for the first time to accurately, quickly, and systematically identify the compounds of the roots and leaves of Didymocarpus heucherifolius Hand.-Mazz., thereby providing a theoretical basis for its quality control, in-depth research, and further development.
研究领域:
植物化学
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分析化学
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药用植物研究
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD AND DRUG ANALYSIS
·
2023
·
IF 3.6
Jingyuan Zeng,Xican Li,Rongxin Cai,Chunhou Li,Shaoman Chen
The study combined UHPLC-Q-Orbitrap-MS analysis with authentic standards, to create a novel strategy for isomers recognition and putative identification. Through the strategy, anti -Covid-19 Jinhua Qinggan Granule was found to comprise 28 isomers and 45 potential anti -Covid-19 constituents. The detection of three constituents (Danshensu, cryptotanshin, and tanshinone IIA) suggests Danshen as confidential additive. Based on this, 6 constituents are recommended as quality-marker candidates, including chlorogenic acid, acteoside, peimisine, baicalein, licoricesaponin H2, and tanshinone IIA. Obviously, the study can not only help the public to really understand the Granule’s formula and chemistry, but also facilitate its Pharmacopoeia collection in future.
研究领域:
中药化学
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分析化学
·
药学
✓ 已验证
产品关联
DOI
高影响因子
PHARMACEUTICAL BIOLOGY
·
2020
·
IF 2.971
Kaiyan Gong,Yuan Yang,Kailin Li,Lian Zhu,Xinjun Zhi,Wei Cai
Content Isochlorogenic acid A, one of the main components of Duhaldea nervosa (Wallich ex Candolle) A. Anderberg (Asteraceae), is a folk medicine used to treat a variety of diseases including fracture and rheumatoid arthritis. Despite its widespread use, the metabolism of isochlorogenic acid A in vivo has not been fully studied.Objective An analytical strategy based on UHPLC-Q-Exactive Orbitrap MS is proposed for the detection and identification of the metabolites of isochlorogenic acid A in rats.Materials and methods Six male Sprague-Dawley rats (180 ± 20 g) were randomly divided into two groups. Then, blood and tissue samples were obtained after oral administration of isochlorogenic acid A (200 mg/kg). All the samples were pre-treated by the Solid Phase Extraction (SPE) method. Next, the samples were analysed by UHPLC-Q-Exactive Orbitrap MS. Finally, the metabolites were identified based on the metabolomic workflow template.Results A total of 33 metabolites were identified in rat plasma, with 30 of them being reported for the first time. The distribution of all metabolites in tissues was first investigated, three of them were widely distributed in liver, lungs, and kidneys. The corresponding reactions including methylation, hydrolysis, sulphate conjugation, glucuronide conjugation, as well as their composite reactions, are reported in this study.Discussion and conclusions This method has wide-scale application prospects in the identification of metabolites. Considering that limited research has been conducted in this area, this study proposes metabolic pathways to further understand mechanisms of isochlorogenic acid A and the forms that are truly effective in vivo.
研究领域:
药理学
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分析化学
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代谢组学
✓ 已验证
DOI
PubMed
高影响因子
Arabian Journal of Chemistry
·
2021
·
IF 5.165
Weizhuo Tang,Shuang Li,Miaomiao Wang,Bin Wang
In this study, simultaneous optimization of ultrasound-assistant extraction (UAE) of four representative groups of Osmanthus fragrans (OF) fruit was firstly performed using the response surface methodology (RSM). Subsequently, qualitative and quantitative analysis of irioid glycosides from the optimized OF fruit extract was performed using UPLC-ESI-Orbitrap-MS/MS. A total of 13 irioid glycosides were tentatively identified, of which six compounds were identified for the first time. Finally, the anti-inflammatory activity of the optimized OF var. aurantiacus Makino (OFA) fruit extract was evaluated based on a CuSO 4 -induced zebra fish model. The biological results demonstrated that OFA fruit extract at a concentration of 5 μg/mL could significantly reduce the number of macrophages, but no significant activities were observed at high concentrations (10 and 50 μg/mL). These results suggest that OF fruit has the promise as a functional additive in food for health promotion.
研究领域:
药理学
·
分析化学
·
食品科学
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产品关联
DOI
高影响因子
JOURNAL OF SEPARATION SCIENCE
·
2024
·Vol. 47
·期 1
·2300615
·
IF 2.8
Le Yang,Ye Sun,Shuyun Wei,Hao Wen,Ruicheng Liu,Xijun Wang
Simiao pill is one of the most commonly used prescriptions in traditional Chinese medicine for the treatment of hyperuricemia and gout. However, methods based on more accurate and comprehensive qualitative and quantitative analyses of the active ingredients are not yet perfect due to limited methodology. This not only hinders the elucidation of the pharmacological mechanism of Simiao pill, but also its comprehensive clinical development and utilization. In this study, we employed ultra-high-performance liquid chromatography-Q Exactive Orbitrap-mass spectrometry technology to perform rapid analysis and identification of the chemical constituents in Simiao pill. A total of 101 chemical components were identified, including 26 alkaloids, 15 terpenoids, 11 flavonoids, eight steroids, six fatty acids, five limonoids, four saponins, five phenylpropanoids, and 21 other compounds. In addition, we established a new method by high-throughput ultra-high-performance liquid chromatography-Q Exactive Orbitrap-mass spectrometry combined with ultra-high-performance liquid chromatography-triple quadrupole-tandem mass spectrometry technology for quantification of 14 main active ingredients, such as adenosine (1), phellodendrine (2), mangnoflorine (3), β-ecdysterone (4), 25R-inokosterone (5), 25S-inokosterone (6), jatrorrhizine (7), palmatine (8), chikusetsu saponin IVa (9), limonin (10), atractylenolide III (11), atractylenolide I (12), obacunone (13), and atractylenolide II (14) in Simiao pill. This work laid a foundation for further analysis and quality control of effective components in Simiao pill.
研究领域:
中药学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2022
·
IF 5.895
Yaran Liu,Xu Qian,Jiangtao Xing,Na Li,Junlong Li,Qingyu Su,Yixin Chen,Bolin Zhang,Baoqing Zhu
This paper clarifies the contribution of lactones and volatile phenols to the aroma of nongrape wine. A target method for the simultaneous determination of these two kinds of volatiles in nongrape wines was developed using headspace-solid-phase microextraction (HS-SPME) combined with high-resolution gas chromatography-Orbitrap mass spectrometry (GC-Orbitrap-MS). A high-resolution mass spectrometry database including 12 lactones and 11 volatile phenols was established for qualitative accuracy. Different matrix-matched calibration standards should be prepared for specific samples due to the matrix effects. The method was successfully validated and applied in three nongrape wines. Hawthorn wine contained more lactones (δ/γ-hexalactone, δ/γ-nonalactone, δ/γ-decalactone, γ-undecalactone, δ/γ-dodecalactone, C10 massoia lactone, and whiskey lactone), while blueberry wine contained more volatile phenols (especially 4-vinylguaiacol and 4-ethylguiaiacol). Goji berry wines contained certain concentrations of δ-nonalactone, γ-nonalactone, δ-hexalactone, and 3-ethyl phenol. This study demonstrated that HS-SPME-GC-Orbitrap-MS can be applied for the accurate quantification of trace aroma compounds such as lactones and volatile phenols in fruit wines.
研究领域:
食品科学
·
分析化学
·
农学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）