ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2024
·Vol. 416
·期 29
·6869-6877
·
IF 3.8
Cui Xiaoqing,Geng Haoyuan,Guo Huanying,Wang Lei,Zhu Zihan,Zhang Yaqi,Chen Panpan,Wang Xiao,Sun Chenglong
Berberine (BR), an alkaloid isolated from the Chinese traditional medicine Coptidis rhizoma, exhibits therapeutic effects on several diseases including bacterial infections, diabetes, and hyperlipidemia, but the oral availability is poor. In this work, we prepared the chitosan microneedle array–loaded BR (BR-CS MNAs) to transdermally deliver BR, and the spatial distribution of BR in heterogeneous skin tissues was analyzed and imaged by matrix-assisted laser desorption ionization mass spectrometry imaging (MALDI-MSI). Some endogenous phospholipids with specific spatial distribution were used to differentiate the epidermis and dermis regions of the skin. The results showed that BR was effectively delivered and could permeate to both epidermis and dermis regions of the skin. This demonstrated the feasibility of MALDI-MSI to evaluate the transdermal delivery efficiency of microneedle arrays and suggested BR could be transdermally delivered by CS MNAs. Graphical Abstract The chitosan microneedle array–loaded BR (BR-CS MNAs) was prepared and used to transdermal deliver BR. The spatial distribution of BR during the transdermal deliver process was analyzed and imaged by matrix-assisted laser desorption ionization mass spectrometry imaging (MALDI-MSI). Some endogenous phospholipids with specific spatial distribution were used to help differentiate the epidermis and dermis regions of skin
研究领域:
药学
·
生物医学工程
·
分析化学
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产品关联
DOI
PubMed
高影响因子
TALANTA
·
2024
·
IF 5.6
Xiaoming Chen,Shuo Cao,Liye Tao,Runlan Yan,Sheng Cao,Jingwen Hao,Yuelin Yi,Chunyan Luan,Jianmin Wu,Yue Gao,Xiao Liang
Lipidomics has demonstrated significant potential for disease diagnosis and prediction. The development and optimization of a robust mass spectrometry (MS) platform for lipidome analysis is critically important, as it can facilitate biomarker discovery, cohort testing, and performance evaluation in clinical lipidomics studies. In this work, we developed a high-throughput and reliable platform, termed MS Lab on a Chip ( MS LOC ), which integrates the MetArray chip, an automated lipidomics pretreatment protocol, and the reflectron matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) instrument. The MetArray chip, produced through a mass production process, exhibited exceptional stability as an MS substrate. The integration of automated lipid pretreatment and MS detection processes ensures high throughput, stability and efficiency during sample preparation. The analysis of various lipid standards and different types of biological samples enabled comprehensive investigation of lipid features and annotation using the MS LOC . Furthermore, a small cohort study, consisting of hepatocellular carcinoma (HCC) and non-HCC groups, was conducted on this platform, providing preliminary validation of its performance and suggesting that this platform offers a comprehensive protocol for clinical lipidomics testing.
研究领域:
分析化学
·
临床研究
·
质谱技术
·
组学技术
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产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2016
·
IF 4.712
Dong Zhu,Zhao Yi Miao,Rui Xiang Yang,Hong Mei Wen,Wei Li,Jun Chen,An Kang,Chen-Xiao Shan,Sheng Yu,Yue Hu
The current widely utilized polymer or C8, C18 end-capped material-based sorbents for solid-phase extraction could not capture alkaloids well only based on “like dissolves like” principle. In this paper, a layer-by-layer functionalized porous Zinc sulfide nanospheres-based solid-phase extraction (SPE) combined with liquid chromatography time-of-flight/mass spectrometry (LC-TOF/MS) and gas chromatography-mass spectrometry (GC-MS) was developed for the specific enrichment and identification of alkaloids from complex matrixes, Crinum asiaticum var. sinicum crude extracts. The functionalized porous Zinc sulfide nanospheres were prepared by the amidation reaction of poly-(acrylic acid) (PAA) homopolymer with amino groups onto the porous ZnS nanospheres. Tandem LC-TOF/MS spectrometry presented that the almost all of the twenty-three main peaks in elution fraction from the SPE could be inferred as alkaloids with ion of mass according to the nitrogen rule and hit formula with Peak View1.2@software from AB SCIEX, and seven alkaloids including two new found chemical entities were directly identified from their GC-MS spectra and retention indices. We believe that this SPE protocol can also be utilized in the future to selectively enrich alkaloids from extracts of other plant species .
研究领域:
分析化学
·
植物化学
·
药物化学
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产品关联
DOI
PubMed
高影响因子
Separations
·
2023
·Vol. 10
·期 4
·231
·
IF 2.6
Chang-Seob Seo,Hyeun-Kyoo Shin
Gongjindan (GJD) is a traditional Korean medicine consisting of four herbal medicines and two animal-derived medicines, and is taken as a tonic in Republic of Korea. In this study, the goal was to develop and validate a simultaneous analytical method to quantify eight compounds in commercially available GJD samples using high-performance liquid chromatography (HPLC), ultra-performance liquid chromatography with tandem mass spectrometry (UPLC–MS/MS), and gas chromatography with tandem mass spectrometry (GC–MS/MS) systems. In HPLC and UPLC–MS/MS, seven components (gallic acid, 5-(hydroxymethyl)furfural, morroniside, loganin, nodakenin, decursin, and decursinol angelate) were separated and quantified using a distilled water–acetonitrile mobile phase system on a Capcell Pak UG80 C18column and an Acquity UPLC BEH C18 column, respectively. Muscone was quantified using GC–MS/MS. The developed assays were validated by evaluating the linearity, limit of detection, limit of quantitation, recovery, and precision. In the regression equations of all compounds, the coefficient of determination was ≥0.9917, showing good linearity. The recovery was 93.70–108.17%, and the relative standard deviation values in the precision test were all <1.50%. Using the developed analysis methods, GJD samples were determined to contain the eight target compounds in concentrations from non-detected to 10.75 mg/g. The analytical assays developed and validated in this study can be used to obtain data for the quality control of commercially available GJDs and for the further expansion of efficacy and clinical studies.
研究领域:
中药学
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分析化学
·
药理学
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产品关联
DOI
高影响因子
INFECTION GENETICS AND EVOLUTION
·
2021
·
IF 3.342
Congshan Liu,Jianping Cao,Haobing Zhang,Jianhai Yin
RNA modifications, as one of epigenetic mechanisms, are important and conserved mechanisms for maintaining the homeostasis of organisms. Little is known about RNA modifications in Echinococcus granulosus, an obligate parasite that inhabits mammals and gives rise to a huge public health and economic impact. Here, we focused on the RNA modification characteristics of E. granulosus for the first time by using mass spectrometry (UPLC-MS/MS) to qualitatively and quantitatively analyze 47 types of RNA modifications in E. granulosus total RNA. Furthermore, the E. granulosus homologs of writer enzymes preforming RNA modifications were identified, and their gene expression pattern at different developmental stages were analyzed by bioinformatics analysis. Finally, 23 types of RNA modifications were found in E. granulosus cysts total RNA, of which m 1 A, Ψ and m 5 C are the most abundant. The homologs of writer enzymes involved in these modifications were identified in the E. granulosus genome, with the dynamic gene expression during the different parasitic developmental stages. This work confirms that E. granulosus retains the conserved RNA modification mechanism during evolution, suggesting the important role of RNA modification in regulating its development and parasitic process. Moreover, the differences of amino acid sequences of RNA modification writer enzymes between parasite and host make it possible to use these enzymes as the candidate drug targets in the follow-up in-depth researches.
研究领域:
寄生虫学
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分子生物学
·
基因组学
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DOI
PubMed
高影响因子
Foods
·
2022
·Vol. 11
·期 12
·1694
·
IF 5.561
Kai Xu,Caiyun Tian,Chengzhe Zhou,Chen Zhu,Jingjing Weng,Yun Sun,Yuling Lin,Zhongxiong Lai,Yuqiong Guo
Rougui Wuyi Rock tea (WRT) with special flavor can be affected by multiple factors that are closely related to the culturing regions of tea plants. The present research adopted non-targeted metabolomics based on liquid chromatography–mass spectrometry (LC-MS) and gas chromatography–mass spectrometry (GC-MS), aroma activity value method (OAV), and chemometrics to analyze the characteristic metabolites of three Rougui WRTs from different culturing regions. The results of sensory evaluation showed that the three Rougui Wuyi Rock teas had significantly different flavor qualities, especially in taste and aroma. Rougui (RG) had a heavy and mellow taste, while cinnamon-like odor Rougui (GPRG) and floral and fruity odor Rougui (HGRG) had a thick, sweet, and fresh taste. The cinnamon-like odor was more obvious and persistent in GPRG than in RG and HGRG. HGRG had floral and fruity characteristics such as clean and lasting, gentle, and heavy, which was more obvious than in RG and GPRG. The results of principal component analysis (PCA) showed that there were significant metabolic differences among the three Rougui WRTs. According to the projection value of variable importance (VIP) of the partial least squares discriminant analysis (PLS–DA), 24 differential non-volatile metabolites were identified. The PLSR analysis results showed that rutin, silibinin, arginine, lysine, dihydrocapsaicin, etc. may be the characteristic non-volatiles that form the different taste outlines of Rougui WRT. A total of 90 volatiles, including aldehydes, alcohols, esters, and hydrocarbons, were identified from the three flavors of Rougui WRT by using GC-MS. Based on OAV values and PLS-DA analysis, a total of 16 characteristic volatiles were identified. The PLSR analysis results showed that 1-penten-3-ol, α-pinene, 2-carene, β-Pinene, dehydrolinalool, adipaldehyde, D-limonene, saffron aldehyde, and 6-methyl-5-hepten-2-one may be the characteristic volatiles that form the different aroma profile of Rougui WRT. These results provide the theoretical basis for understanding the characteristic metabolites that contribute to the distinctive flavors of Rougui WRT.Keywords:Rougui Wuyi Rock tea;LC-MS;GC-MS;characteristic components;flavor quality
研究领域:
茶叶科学
·
代谢组学
·
食品化学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2022
·Vol. 415
·期 5
·887-897
·
IF 4.478
Ren Rongfan,Li Hongli,Jiang Qing,Wang Xing,Chen David Da Yong
Characterization of structural isomers of bioactive molecules is important for recognizing their functions, but it has been challenging due to their highly similar structures. As the main bioactive constituents of Panax ginseng , ginsenosides have different structural isomers attributed to the aglycone structure and glycosylation sites as well as stereochemistry of sugar groups attached. This work demonstrated a simple and robust in situ methylation reaction with tetramethylammonium hydroxide (TMAH) using ambient ionization source of direct analysis in real time (DART) to characterize saponin structural isomers. The DART ion source provides favorable conditions to methylate hydroxyl groups of ginsenoside instantaneously with TMAH, and it can ionize the methylated products at the same time. Methylated ginsenoside stereoisomers even with subtle structure differences generated very different mass signals from full-scan MS and tandem MS. High-resolution mass spectrometry aided the assignment of molecular structures of the various precursor and fragment ions from different ginsenosides, which provided structural information for both the aglycone skeleton and the sugar moieties in ginsenosides. The presented method was successfully used for the identification of ginsenosides in Panax ginseng , and saponin isomers were characterized without the need for chromatographic separation and/or tedious offline sample pretreatment. Graphical Abstract
研究领域:
分析化学
·
药学
·
质谱学
·
天然产物化学
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产品关联
DOI
PubMed
高影响因子
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
Analytical Methods
·
2015
·Vol. 7
·期 6
·2653-2658
·
IF 1.821
Jing Sun,Zhaoguang Yang,Hsiaowan Lee,Lin Wang
The simultaneous separation and determination of As(III), As(V), monomethylarsenic acid (MMA), dimethylarsenic acid (DMA), Cr(III), Cr(VI) and Cd(II) in water samples have been carried out by anion exchange liquid chromatography with inductively coupled plasma mass spectrometry. Ethylenediaminetetraacetic acid was used to form negatively charged complexes with Cr(III) and Cd(II). For achieving the optimum chromatographic conditions, the effects of competing ion type, mobile phase concentration and pH on speciation have been investigated. By compromising among analysis time, chromatographic resolution and sensitivity, 40 mM ammonium nitrate at pH 8.6 has been selected as the mobile phase for real sample applications. The baseline separation of all the target species has been achieved under isocratic elution conditions. Under the optimized conditions, the limit of detection was in the range of 0.07–0.12 μg L−1 for the various species. The proposed method was applied to the determination of the target species in surface water and drinking water samples. Arsenate was the dominant arsenic species in all the tested samples. Neither MMA nor DMA was detected in real water samples. The recoveries for spikes of individual species in water samples tested ranged from 88% to 116%.
研究领域:
分析化学
·
环境科学
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产品关联
DOI
高影响因子
ENERGY & FUELS
·
2022
·
IF 4.654
Shuofan Li,Ying Liu,Yahe Zhang,Jianxun Wu,Weilai Zhang,Quan Shi
Olefins are ubiquitous in processed petroleum streams undergoing thermal and catalytic cracking processes. However, the molecular characterization of olefins is often troublesome as a result of the presence of cycloalkanes or aromatic hydrocarbons, which cannot be distinguished from each other because of their identical molecular composition. This study provides a novel method to selectively characterize the molecular composition of olefins in processed petroleum streams. The olefins were selectively converted into halohydrocarbons with iodine monochloride as a reaction reagent and then subjected to high-resolution mass spectrometry analysis with positive-ion atmospheric pressure chemical ionization. The molecular composition of olefins in the coker diesel, the coker gas oil, and the pyrolysis gas oil was successfully characterized by the method, which indicates that the linear mono-olefins are often the dominant species. The derivatization also enables the identification of co-eluted individual compounds in gas chromatographic analysis. The method could be applicable to other streams from complex fossil fuels.
研究领域:
化学
·
能源科学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MASS SPECTROMETRY
·
2023
·Vol. 58
·期 11
·e4979
·
IF 2.3
Qi-Qi Zhang,Yang Liu,Shu-Ping Tan,Yan Chen,Jie Gao,Xin-Yue Liang,Wei-Qun Shi,Yong-Gang Zhao
Electrospray Ionization Mass Spectrometry (ESI-MS) technique and density functional theory (DFT) calculations were combined to study the formation of the complexes of lanthanides (Ln = La, Ce, Nd, Sm, Eu, Yb) and actinides (UO 2 2+ , Th 4+ ) with CyMe 4 -BTBP (6,6′-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzo-[1,2,4-]triazin-3-yl)-[2,2′]bipyridine) to understand the mechanisms during the extraction process. Mass spectrometry titrations showed the formation of the complexation in acetonitrile. For lanthanides, only 1:2 complexes ([Ln(L) 2 ] 3+ , [Ln(L) 2 (CH 3 CN)] 3+ ), [Ln(L) 2 (NO 3 )] 2+ ) were found at low [Ln]/[L] concentration ratios, whereas the 1:1 complexes ([Ln(L)(NO 3 ) 2 ] + ) were observed when the [Ln]/[L] concentration ratio reached 1.0. For uranyl complexes, 1:1 complex ([UO 2 L(NO 3 )] + ) was the only species within the measuring range. Th 4+ complexes had two compositions: 1:1 and 1:2, in which 1:2 species was the dominant complex. Collision-induced dissociation (CID) was employed to characterize the fragmentation process. The fragmentation process was unfolded sequentially on both sides of CyMe 4 -BTBP ligand with the loss of alkyl groups and cleavage of triazinyl rings. The CID results of CyMe 4 -BTBP complexes revealed a slight difference depending on the metal center. The DFT calculations showed that the stable complexes formed in acetonitrile solution were consistent with the ESI-MS results.
研究领域:
无机化学
·
分析化学
·
计算化学
✓ 已验证
DOI
PubMed
高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
·
2025
·
IF 7.7
Zhao Wang,Jing He,Xin Li,Jia Chen,Mingxia Sun,Hongdeng Qiu
The development of a mass spectrometry-based workflows for monoamine neurotransmitters (NTs) detection in biological samples is crucial for the accurate diagnosis of adrenal tumor. In this study, a carboxyl ionic organic crystal (CIOC) was synthesized via ion self-assembly of cationic and anionic monomers, featuring abundant carboxyl active sites for selective monoamine NTs capture. The CIOC-functionalized paper strips significantly enhance the sensitivity of direct capillary spray miniature mass spectrometry (DCS-mini MS) for monoamine NTs analysis. For biofluid analysis, the CIOC-functionalized paper strips were immersed in samples, washed with ACN to remove interferents, and analyzed by DCS-mini MS. Compared to unmodified paper strips, the CIOC-functionalized paper strips exhibited significantly enhanced sensitivity, with signal amplification factors of 7.6-fold for dopamine, 3.4-fold for norepinephrine, 4.6-fold for 5-hydroxytryptamine, and 5.6-fold for epinephrine in plasma, and corresponding increases of 10.9-fold, 4.0-fold, 6.3-fold, and 7.5-fold in urine. This is attributed to the synergistic effects of electrostatic interactions and hydrogen bonding between CIOC materials and the monoamine NTs. The method showed excellent linearity (R² > 0.9981), with LOD ranging from 0.51 to 2.11 ng mL −1 in urine and 1.53–4.51 ng mL −1 in plasma, and LOQ ranging from 1.7 to 7.01 ng mL −1 in urine and 5.1–15.03 ng mL −1 in plasma. The robustness of the method was confirmed through validation of precision (<10 % RSD) and recoveries (80.1–97.3 %). The CIOC@DCS-mini MS platform enables rapid (3 min), label-free clinical monoamine NTs monitoring, offering a precise solution for diagnosing monoamine NTs-related disorders.
研究领域:
分析化学
·
生物医学工程
·
临床检验
·
神经化学
·
质谱学
·
转化医学
·
肿瘤代谢
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）