TALANTA
·
2020
·
IF 5.339
Zhang-Na Qin,Qiong-Wei Yu,Ping Zhou,Yu-Qi Feng
Bioactive polyamines play important roles in many biological processes such as gene expression, cell growth, protein synthesis , and signal transduction . Accurate determination of polyamines is helpful for studying their biological functions. Herein, a C 60 -based chemical labeling strategy was proposed for the determination of polyamines (putrescine, cadaverine , spermidine , and spermine) in biological samples using matrix-assisted laser desorption/ionization mass spectrometry (MALDI MS). An N-hydroxysuccinimide ester functionalized C 60 (NHS–C 60 ) was used as a labeling reagent and the m/z of the labeled polyamines reached up to more than 900 Da, which avoided matrix interferences in the low m/z region. In addition, as NHS–C 60 derivatives, mono- and bis-substituted polyamines were produced simultaneously, which benefited the qualitative analysis of polyamines. The analytical method was validated using NHS–C 60 labeled polyamines in cells and mice feces samples. Good linearities were obtained with correlation coefficients ranging from 0.9786 to 0.9982. The limits of quantification were in the range of 0.68–1.48 pmol. Good reproducibility and reliability of our proposed method were confirmed by intra- and inter-day precisions ranged from 2.8 to 16.6%, and the recoveries ranged between 81.8 and 119.9%. Finally, the proposed method was applied to determine polyamines in cells and mice feces. Three polyamines were detected in the cells, and the contents of cadaverine and spermidine in the feces of high-fat diet mice were found to be significantly lower than those in the normal diet mice. The results show that the proposed NHS–C 60 labeling coupled with MALDI MS strategy is suitable for the determination of polyamines in biological samples.
研究领域:
分析化学
·
生物化学
·
医学
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产品关联
DOI
PubMed
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2021
·
IF 5.645
Caihong Li,Yan Zhao,Wenjing Li,Rongrong Xing,Jing Lu,Rongxia Liu
Euodiae Fructus (EF, the fruit of Tetradium ruticarpum ) belongs to the family Rutaceae which has a complex genetic background, making classification a challenge. In order to classify the three closely related cultivars (small flower EF, medium flower EF, and big flower EF) and simplify the identification procedure in the future, an approach integrating ultra-high performance liquid chromatography-ultraviolet spectrum-hybrid quadrupole-Orbitrap high resolution mass spectrometry (UHPLC-UV-Q-Orbitrap HRMS) with machine learning algorithms was developed. Orthogonal partial least squares-discriminant analysis (OPLS-DA) and random forest (RF) were used to assort the processed EF products and select the chemical markers to differentiate among the three EF cultivars, respectively. Then the thresholds of classification were determined using the eXtreme Gradient Boosting (XGboost) model based on the quantitative data of chemical markers by the UHPLC-Q-Orbitrap HRMS. The results demonstrated that the approach successfully discriminated among three closely related cultivars of EF, and five chemical markers (neochlorogenic acid, (+)-catechin, chlorogenic acid, dehydroevodiamine, and limonin) were selected. Thresholds were obtained to classify the three cultivars. If the content of neochlorogenic acid was greater than 7.52 mg/g, the sample belonged to small flower EF, otherwise, it belonged to medium flower EF or big flower EF. Furthermore, if the content of dehydroevodiamine was greater than 3.84 mg/g, the sample was medium flower EF, otherwise, it was big flower EF. In general, this research provides a novel strategy for the discrimination of Euodiae Fructus cultivars to avoid misapplication and possible side effects.
研究领域:
药学
·
分析化学
·
植物学
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产品关联
DOI
高影响因子
FOOD CONTROL
·
2021
·
IF 5.548
Hui-Wen Gu,Xiao-Li Yin,Tian-Qin Peng,Yuan Pan,Hui-Na Cui,Zhi-Quan Li,Weiqing Sun,Baomiao Ding,Xian-Chun Hu,Zi-Hong Zhang,Zhi Liu
Identifying the geographical origins of green teas produced in specific regions is of significance since the geographical origin of tea influences its quality and price greatly. In this work, a novel two-dimensional (2D) fingerprints acquired by high-performance liquid chromatography-diode array detector (HPLC-DAD) was firstly proposed to identify geographical origins of Chinese green teas. A total number of 62 chemical components were extracted from 2D HPLC-DAD fingerprints of 78 tea samples by multivariate curve resolution-alternating least squares (MCR-ALS) algorithm. Afterward, principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) were used to classify tea samples based on the extracted components. Inspection of PCA score plots of two scaling types (UV and Par) showed that tea samples from two different geographical origins have an obvious clustering tendency. As for the OPLS-DA analysis, the Q 2 cum of two types-scaling OPLS-DA models are greater than 0.75, and the total recognition rates for test set are 92.86%. What's more, according to p value of t -test, VIP values, V-plot and S-plot, 17 characteristic components were screened and identified as chemical markers to distinguish between Zhejiang teas and Shandong teas. This work indicated that the proposed strategy is suitable for identifying geographical origins of Chinese green teas.
研究领域:
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
TALANTA
·
2025
·
IF 6.1
Chen Zeng,Jianxiong Chen,Chengbiao Zhu,Zhenwei Wei
Capturing and analyzing low-abundance, short-lived, and unstable radical intermediates during electrochemical (EC) reactions is important for understanding EC reaction mechanisms. Herein, we developed a chemical labeling strategy for rapid screening and highly sensitive analysis of EC radical intermediates by mass spectrometry (MS). Taking 5,5-dimethyl-1-pyrroline N-oxide (DMPO) labeling reagent as an example, DMPO can react with radical intermediates to form stable labeling products with characteristic fragmentation daughter ions or neutral loss in tandem MS, so the labeled intermediates can be screened by precursor ions scan or neutral loss scan. Further combined with our recently established floating electrochemical electrospray mass spectrometry platform (FE-ESI-MS), we realized online confirmation and in-depth analysis of radical intermediates, and accelerated the study of EC reaction mechanisms. We established the strategy based on the labeling analysis of radical intermediates produced by EC oxidation of acetaminophen and a mixed EC reaction system containing 10 substrates, and further studied the radical-radical cross coupling mechanism of sodium p -toluenesulfinate and 2-methyl-2H-indazole. The labeled products not only improved the MS response by more than 10 times, but also exhibited typical fragmentation behavior, which contributed to the rapid screening of radical intermediates. This chemical labeling strategy will increase the capability of MS for finding important EC intermediates in untargeted analysis and further investigating low abundant and short-lived EC intermediates in the future.
研究领域:
分析化学
·
电化学
·
质谱学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Huijuan Gao,Qian Wang,Qiangli Qi,Wenjing He,Wen Li
Hops , extensively cultivated in China for their food and medicinal applications, currently lack well-defined chemical markers to evaluate variations in their quality. The study aimed to explore variations in the quality of Chinese hops by the chemical characteristics of hops, employing UPLC-Q-TOF/MS, integrated with chemical fingerprinting and chemometrics. The results indicated that Chinese hops are abundant in polyphenols and bitter acids. The integration of UPLC-Q-TOF/MS, Chemical fingerprinting, and chemometrics revealed to be an accurate and effective approach for assessing the quality of Chinese hops. In this study, ten important chemical markers were found to be useful in differentiating various hop varieties. Moreover, the support vector machine showed a prediction accuracy of 92.3077% in identifying Chinese hop varieties. The strategy of the study lays the groundwork for classifying Chinese hop varieties and serves as a prerequisite for future quality control studies, particularly focusing on chemical compositions.
研究领域:
植物化学
·
分析化学
·
药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Food Bioscience
·
2025
·
IF 5.9
Xiaohua Nie,Miaomiao Tang,Xiaoyu Zhou,Mengqing Chen,Liyu Hua,Yuanchao Lu,Ningxiang Yu,Xianghe Meng
Idesia Polycarpa ( I. Polycarp a) is a newcomer of edible oil crops in China, with rich oil in ripe fruits. Phenolic compounds in six I.polycarpa oil (whole fruit oil from Leibo, LWFO; pulp oil from Leibo, LPO; seed oil from Leibo, LSO; whole fruit oil from Puan, PWFO; pulp oil from Puan, PPO; and seed oil from Puan, PSO) were analyzed using untargeted metabolomics, and their roles in antioxidant activity were also investigated. Thirty-one phenolic compounds were tentatively identified in I. Polycarpa oils, primarily belonging to salicinoid analogues and p -coumaroyl derivatives; and their contents varied greatly from trace to 85.84 mg/kg oil (idescarpin in LSO). Multivariate analyses clearly differentiated the oils of I.Polycarpa fruit in according to fruit parts and geographical origins, with twelve phenolics as the discrimative markers. Furthermore, phenolic extracts from the oils, especially LSO and PPO, exerted strong scavenging activity toward DPPH and ABTS radicals. Eight phenolics such as dimethyl coniferin, 2-hydroxyphenol-1-O- β -D-glucopyranosyl-(6->1)- α -L-rhamnopyranoside, 1-O-(2-hydroxyethyl)-4-O- p -coumaroyl-glucopyranose, tanegoside A, 1-O-(2-hydroxyphenyl)-4-O- p -coumaroyl- β -D-glucopyranose, mono-O-acetylated p -coumaroyl idesin, and p -coumaroyl salicortin were the crucial compounds that played important roles in antioxidant potential. Overall, the findings suggested these phenolics as chemical markers for the differentiation and functional evaluation of I. Polycarpa oils.
研究领域:
植物学
·
食品科学
·
代谢组学
✓ 已验证
产品关联
DOI
高影响因子
ORGANIC & BIOMOLECULAR CHEMISTRY
·
2024
·
IF 2.9
Ting Jiang,Qian Zhou,Kang-Kang Yu,Shan-Yong Chen,Kun Li
N
6
-Methyladenosine (6mA) is a well-known prokaryotic DNA modification that has been shown to play epigenetic roles in eukaryotic DNA. Accurate detection and quantification of 6mA are prerequisites for molecular understanding of the impact of 6mA modification on DNA. However, the existing methods have several problems, such as high false-positive rate, time-consuming and complex operating procedures. Chemical sensors for the selective detection of 6mA modification are rarely reported in the literature. Fluorinated phenylboronic acid combined with 19F NMR analysis is an effective method for determining DNA or RNA modification. In this study, we presented a simple and fast chemical method for labelling the 6th imino group of 6mA using a boric-acid-derived probe. Besides, the trifluoromethyl group of trifluoromethyl phenylboronic acid (2a) could detect 6mA modification through 19F NMR. Combined with this sensor system, 6mA modification could be detected well and quickly in 6 types of deoxynucleoside mixtures and DNA samples. Taken together, the method developed in the current study has potential for specific detection of 6mA in biological samples.
研究领域:
生物化学
·
分子生物学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2019
·Vol. 411
·期 8
·1623-1632
·
IF 3.286
Yu Lei,Cai Wen-Jing,Ye Tiantian,Feng Yu-Qi
Brassinosteroids (BRs) are endogenous plant growth-promoting hormones affecting growth and development during the entire life cycle of plants. Naturally occurring BRs can be classified into C 27 -, C 28 -, or C 29 -BRs based on the nature of the alkyl groups occupying the C-24 position in the side chain of the 5a-cholestane carbon skeleton. However, while C 27 -BRs exhibit similar bioactivities to C 28 - and C 29 -BRs, the biosynthetic pathways of C 27 -BRs in plants have not yet been clearly characterized. In addition to a lack of biochemical and enzymatic evidence regarding the biosynthetic pathways of C 27 -BRs, even most of the intermediate compounds on their pathways have not been explored and identified due to the lower endogenous levels of C 27 -BRs. Therefore, the development of highly sensitive analytical methods is essential for studying the biosynthetic pathways and physiological functions of C 27 -BRs. Accordingly, this study establishes qualitative and quantitative methods for identifying and detecting C 27 -, C 28 -, and C 29 -BRs using a newly synthesized boronic acid reagent denoted as 2-methyl-4-phenylaminomethylphenylboronic acid (2-methyl-4-PAMBA) in conjunction with liquid chromatography-mass spectrometry (LC-MS). Labeling with 2-methyl-4-PAMBA provides derivatives with excellent stability, and the detection sensitivities of BRs, particularly for C 27 -BRs, are dramatically improved. The limits of detection (with a signal-to-noise ratio of 3) for six BRs, including 2 C 27 -BRs (28-norCS and 28-norBL), 3 C 28 -BRs (CS, BL, and TY), and a single C 29 -BR (28-homoBL), are found to be 0.10–1.68 pg/mL after labeling with 2-methyl-4-PAMBA. Finally, the proposed analytical method is successfully applied for the detection of endogenous BRs in small mass samples of Oryza sativa seedlings, Rape flowers, Arabidopsis shoots, and Arabidopsis flowers. In addition, a method for profiling potential BRs in plants is also developed using LC-MS in multiple reaction monitoring scan mode assisted by 2-methyl-4-PAMBA and 2-methyl-4-PAMBA- d 5 labeling. The developed method is able to identify 10 potential BRs in a Rape flower extract. The proposed quantitative and qualitative methods established by 2-methyl-4-PAMBA labeling are helpful for facilitating an understanding of the physiological functions and biosynthetic pathways of BRs, particularly for C 27 -BRs.
Graphical abstract
研究领域:
植物学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Pharmacology
·
2017
·
IF 4.4
Guo Sheng,Duan Jin-Ao,Li Yiqun,Wang Ruiqing,Yan Hui,Qian Dawei,Tang Yuping,Su Shulan
The Ziziphus species are considered to be the medicine and food dual purposes plants. Among them, the seed of Ziziphus jujuba var. spinosa (ZS) has traditionally been used as an ethnomedicine in Asian countries for thousands years. Owing to the significant benefits for human health, the demand for ZS increased year by year, and the wild resources have become increasingly scarce, which resulted in a shortage of market supply for ZS and product adulteration by substituting ZS with the seeds of Z. mauritiana Lam. (ZM). However, whether the bioactivity of ZM is similar to ZS has not been fully confirmed till now. Thus, to provide potential information for evaluating the similarity of the health promoting activities between these two Ziziphus seeds, their chemical profiles, including triterpenoids, flavonoids, nucleosides, free amino acids and fatty acids were compared using high-performance liquid chromatography coupled with evaporative light scattering detection (HPLC-ELSD), ultra-high performance liquid chromatography coupled with triple-quadrupole mass spectrometry (UHPLC-TQ MS), and gas chromatography coupled with mass spectrometry (GC-MS) methods. Furthermore, a more holistic investigation was performed with multivariate principle component analysis and orthogonal projections to latent structures-discriminant analysis analyses to explore the relative variability between the seeds of two species. The results showed that a significant difference exists between ZS and ZM, and ZS was more rich in saponins, polyunsaturated fatty acids and some amino acids, whereas ZM was particularly rich in saturated fatty acids and flavonoids. The above results suggested the bioactivities of ZM for human health may not be similar to ZS owing to their difference in chemical profiles. These results would also be helpful for distinguishing the ZM from ZS with the chemical markers obtained from the study, and set a scientific foundation for establishing the quality control method of ZS.
研究领域:
植物学
·
药理学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2021
·
IF 6.986
Fei-Long Liu,Tian-Tian Ye,Jiang-Hui Ding,Xiao-Ming Yin,Xiao-Ke Yang,Wei-Hua Huang,Bi-Feng Yuan,Yu-Qi Feng
Polar phosphorylated metabolites are involved in a variety of biological processes and play vital roles in energetic metabolism, cofactor regeneration, and nucleic acid synthesis. However, it is often challenging to interrogate polar phosphorylated metabolites and compounds from biological samples. Liquid chromatography–mass spectrometry (LC/MS) now plays a central role in metabolomic studies. However, LC/MS-based approaches have been hampered by the issues of the low ionization efficiencies, low in vivo concentrations, and less chemical stability of polar phosphorylated metabolites. In this work, we synthesized paired reagents of light and heavy isotopomers, 2-(diazomethyl)phenyl)(9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone (DMPI) and d3-(2-(diazomethyl)phenyl)(9-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone (d3-DMPI). The paired reagents of DMPI and d3-DMPI carry diazo groups that can efficiently and selectively react with the phosphate group on polar phosphorylated metabolites under mild conditions. As a proof of concept, we found that the transfer of the indole heterocycle group from DMPI/d3-DMPI to ribonucleotides led to the significant increase of ionization efficiencies of ribonucleotides during LC/MS analysis. The detection sensitivities of these ribonucleotides increased by 25–1137-fold upon DMPI tagging with the limits of detection (LODs) being between 7 and 150 amol. With the developed method, we achieved the determination of all the 12 ribonucleotides from a single mammalian cell and from a single stamen of Arabidopsis thaliana. The method provides a valuable tool to investigate the dynamic changes of polar phosphorylated metabolites in a single cell under particular conditions.
研究领域:
分析化学
·
生物化学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2018
·
IF 5.123
Jun Ding,Hua-Ming Xiao,Simin Liu,Chang Wang,Xin Liu,Yu-Qi Feng
Although several methods have realized the analysis of low molecular weight (LMW) compounds using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) by overcoming the problem of interference with MS signals in the low mass region derived from conventional organic matrices, this emerging field still requires strategies to address the issue of analyzing complex samples containing LMW components in addition to the LMW compounds of interest, and solve the problem of lack of universality. The present study proposes an integrated strategy that combines chemical labeling with the supramolecular chemistry of cucurbit [ n ]uril (CB [ n ]) for the MALDI MS analysis of LMW compounds in complex samples. In this strategy, the target LMW compounds are first labeled by introducing a series of bifunctional reagents that selectively react with the target analytes and also form stable inclusion complexes with CB [ n ]. Then, the labeled products act as guest molecules that readily and selectively form stable inclusion complexes with CB [ n ]. This strategy relocates the MS signals of the LMW compounds of interest from the low mass region suffering high interference to the high mass region where interference with low mass components is absent. Experimental results demonstrate that a wide range of LMW compounds, including carboxylic acids , aldehydes, amines, thiol, and cis -diols, can be successfully detected using the proposed strategy, and the limits of detection were in the range of 0.01–1.76 nmol/mL. In addition, the high selectivity of the labeling reagents for the target analytes in conjunction with the high selectivity of the binding between the labeled products and CB [ n ] ensures an absence of signal interference with the non-targeted LMW components of complex samples. Finally, the feasibility of the proposed strategy for complex sample analysis is demonstrated by the accurate and rapid quantitative analysis of aldehydes in saliva and herbal medicines. As such, this work not only provides an alternative method for the detection of various LMW compounds using MALDI MS, but also can be applied to the selective and high-throughput analysis of LMW analytes in complex samples.
研究领域:
分析化学
·
生物化学
✓ 已验证
DOI
高影响因子
FOOD CHEMISTRY
·
2020
·
IF 6.306
Xu Yu,Li Yu,Fei Ma,Peiwu Li
In the present work, a rapid, accurate and cost-effective method has been developed for the simultaneous quantification of phenolic compounds in oil using mixed-mode solid-phase extraction (SPE) coupled with chemical labeling UHPLC-MS/MS. Mix-mode SPE weak cation cartridges were selected to enrich and purify phenolic compounds in oil, and hydroxyl moiety was dansylation as stable-isotope internal standard. The major parameters that affected the extraction and chemical labeling efficiency were investigated, and the method was fully validated. The limit of quantifications and the limit of detections were 0.002 µg kg −1 ~ 0.10 µg kg −1 and 0.006 µg kg −1 ~ 0.30 µg kg −1 , respectively. The recoveries were 61.2% ~ 129.3% with intra-day and inter-day precision less than 12%. The results for 38 rapeseed oils revealed that 14 phenolic compounds, including canolol, phenolic acids, phenolic alcohols, tyrosol and vanillin from trace levels to relatively high content.
研究领域:
分析化学
·
食品科学
✓ 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）