Se pu = Chinese journal of chromatography最新文献

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[Determination of squalene and oxidized squalene in edible oil by gas chromatography-tandem mass spectrometry and evaluation of the thermal stability of squalene]. [气相色谱-串联质谱法测定食用油中角鲨烯和氧化角鲨烯及角鲨烯热稳定性评价]。
Se pu = Chinese journal of chromatography Pub Date : 2025-07-01 DOI: 10.3724/SP.J.1123.2024.05031
Geng-Peng Xiao, Dan-Dan Liao, Gui-Sheng Li, Xiang Luo, Lu Yuan
{"title":"[Determination of squalene and oxidized squalene in edible oil by gas chromatography-tandem mass spectrometry and evaluation of the thermal stability of squalene].","authors":"Geng-Peng Xiao, Dan-Dan Liao, Gui-Sheng Li, Xiang Luo, Lu Yuan","doi":"10.3724/SP.J.1123.2024.05031","DOIUrl":"10.3724/SP.J.1123.2024.05031","url":null,"abstract":"<p><p>The quality and safety of edible oils have frequently been compromised in recent years, seriously threatening consumer's legitimate rights and health. Hence, establishing methods for determining the quality of edible oils based on their endogenous components is greatly significant. Squalene is widely present in various oils; hence, studying the thermal stability of squalene in edible oils is expected to provide a new storage-management model and a method for rapidly determining oil quality. A method for determining squalene and oxidized squalene in edible oils was established based on QuEChERS-gas chromatography-tandem mass spectrometry. Edible oil samples were extracted by <i>n</i>-hexane and purified using a mixed adsorbent consisting of ethylenediamine-<i>n</i>-propyl silanized silica gel (PSA) and silica gel (CNW BOND Si). Separation was used a TG-5ms column (30 m×0.25 mm×0.25 μm) and the squalene was used as an internal standard for quantitative analysis in selective reaction monitoring (SRM) mode. The chromatography column and adsorbent were judiciously optimized. Methodological verification revealed good linear relationships for squalene and oxidized squalene in the ranges of 0.03-0.4 and 0.29-3.80 mg/L, respectively, with correlation coefficients (<i>r</i>)≥0.992 under the optimized experimental conditions. Limits of detection (LODs, <i>S/N</i>=3) of 0.4 and 4.0 mg/kg were obtained for squalene and oxidized squalene, respectively, with corresponding limits of quantification (LOQs, <i>S/N</i>=10) of 1.2 and 12 mg/kg, respectively. Spiked recovery experiments were conducted at low, medium, and high spiked levels using three different oils, the average recoveries of squalene and oxidized squalene were 81.9%‒102.5% and 89.4%‒116.1%, respectively, with relative standard deviations (RSDs, <i>n</i>=6) of 3.5%‒6.8% and 3.2%‒7.4%, respectively. The developed method has the advantages of operational simplicity, stability, reliability, low LODs, and is suitable for detecting squalene and oxidized squalene in edible oils. The developed method was used to evaluate the thermal stability of squalene in peanut oil. The results showed that when the temperature was lower than 120 ℃, squalene did not undergo the phenomenon of conversion to oxidized squalene. However, when the temperature exceeds 120 ℃, the peak area of squalene shows a cliff-like decline, and the formation of oxidized squalene can be clearly detected. This method was used to test rapeseed oil, peanut oil, soybean oil and corn oil. The results showed that squalene was detected in all samples, while oxidized squalene was not detected in any samples. This method aims to provide new ideas for the storage management and rapid quality identification of edible oil.</p>","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 7","pages":"815-822"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12231491/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144562464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Fast determination of per- and polyfluoroalkyl substances in human serum by cold-induced phase separation coupled with liquid chromatography-tandem mass spectrometry]. [冷诱导相分离-液相色谱-串联质谱法快速测定人血清中的单氟烷基和多氟烷基物质]。
Se pu = Chinese journal of chromatography Pub Date : 2025-07-01 DOI: 10.3724/SP.J.1123.2024.11028
Jian-di Wang, Yi-Wei Wang, Jia-Xin Wu, Zhi-Xiong Shi
{"title":"[Fast determination of per- and polyfluoroalkyl substances in human serum by cold-induced phase separation coupled with liquid chromatography-tandem mass spectrometry].","authors":"Jian-di Wang, Yi-Wei Wang, Jia-Xin Wu, Zhi-Xiong Shi","doi":"10.3724/SP.J.1123.2024.11028","DOIUrl":"10.3724/SP.J.1123.2024.11028","url":null,"abstract":"<p><p>Per- and polyfluoroalkyl substances (PFASs) are a large group of synthetic chemicals that have been widely used in various industrial and commercial products owing to their unique physicochemical properties. However, accumulating evidence suggests that PFASs are persistent, transmissive over long distances, bioaccumulative, and toxic; consequently, their adverse effects on ecosystems and humans is of widespread concern. Serum is the most commonly used human matrix for assessing internal exposure to environmental pollutants, and several analytical methods have been developed to measure PFASs in sera. Current methods are generally fast, convenient, and robust; however, their pretreatment steps require large amounts of organic solvents and materials, such as solid-phase extraction cartridges and/or sorbents. In this study, a novel and low-cost analytical method based on cold-induced phase separation (CIPS) strategy was developed for the simultaneous determination of 31 legacy and emerging PFASs in serum. The core mechanism and distinctive feature of CIPS involves cooling an acetonitrile-water (ACN-water) mixture at a low temperature to produce two clear-cut layers: one with a high ACN proportion (the ACN layer) and an aqueous layer (water layer). Certain chemicals are significantly enriched in the ACN layer during cooling; at the same time, impurities, especially water-soluble impurities, remain in the aqueous layer. CIPS only requires the temperature to be varied, and no external impurities are introduced during pretreatment, which dramatically reduces material costs and avoids new impurities from intervening. Our method involves the following procedure: serum was drawn accurately (0.2 mL) into a 1.5 mL Eppendorf (EP) tube, 2 ng of each isotopically labeled internal standard was added, the mixture is vortexed, and 350 µL of ACN was added, followed by vortexing and ultrasonic extraction. Subsequently, 450 µL of water is added to adjust the volume proportion of ACN to 35% (the volume percentage of ACN in the total solution). The protein at the bottom of the tube was collected following centrifugation at 15 000 r/min for 10 min, and the supernatant was transferred to a 1 mL syringe. The syringe was frozen in a -20 ℃ refrigerator for 1 h to obtain the two layers, after which the upper layer (approximately 80-100 μL) containing ACN and the target compounds was finally transferred to a glass vial for instrumental analysis. Liquid chromatography coupled with triple quadrupole mass spectrometry augmented with electrospray ionization (LC-ESI-MS/MS) was used to quantify the PFASs. The analytes were separated using a C18 column, with methanol and 2 mmol/L of ammonium formate-H<sub>2</sub>O used as mobile phases. Linearities, limits of detection (LODs) and, limits of quantification (LOQs), recoveries, precisions, and matrix effects were determined under the optimal conditions. The LODs and LOQs of PFASs in serum were 0.01-25 and 0.03-83 pg/mL, respective","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 7","pages":"756-766"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12231447/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144562466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Analysis of volatile aroma components in tobacco by gas chromatography-mass spectrometry coupled with headspace solid phase microextraction]. [顶空固相微萃取-气相色谱-质谱法分析烟草中挥发性香气成分]。
Se pu = Chinese journal of chromatography Pub Date : 2025-07-01 DOI: 10.3724/SP.J.1123.2024.10004
Xiao-Long Yao, Ya-Yun Ma, Yuan Li, Gao-Jian Shi, Qian-Wei Zhou, Yu-Hai Zhang, Ning-Jie Luo, Lin Zhang, Bin Li, Nan Deng, Ling-Jie Meng
{"title":"[Analysis of volatile aroma components in tobacco by gas chromatography-mass spectrometry coupled with headspace solid phase microextraction].","authors":"Xiao-Long Yao, Ya-Yun Ma, Yuan Li, Gao-Jian Shi, Qian-Wei Zhou, Yu-Hai Zhang, Ning-Jie Luo, Lin Zhang, Bin Li, Nan Deng, Ling-Jie Meng","doi":"10.3724/SP.J.1123.2024.10004","DOIUrl":"10.3724/SP.J.1123.2024.10004","url":null,"abstract":"<p><p>Volatile flavor compounds play vital roles when evaluating the flavor and quality of tobacco products. Pretreatment is always required owing to the wide range of flavor compounds and the complexity of the tobacco matrix. Solvent extraction (SE), steam distillation (SD), simultaneous distillation extraction (SDE), supercritical fluid extraction (SFE), and solid phase microextraction (SPME) are methods commonly used to extract and purify volatile flavor compounds. Among these methods, SPME coupled with headspace (HS) sampling has gained considerable attention in a variety of research fields because it combines sampling, extraction, concentration, and sample injection into a single procedure to deliver advantages that include convenient and simple sample preparation, small sample volumes, high sensitivities, and convenient operation.In this study, HS-SPME coupled with gas chromatography-mass spectrometry (GC-MS) was used to analyze the volatile aroma components in tobacco leaves. First, extraction efficiency was optimized by carefully evaluating multiple parameters, including types of solid phase microextraction fibers, extraction temperature, adsorption time, and desorption time. The number of chromatographic peaks, total chromatographic peak area, number of identified compounds, and internal-standard peak areas were used as indices. The optimized protocol involves incubating tobacco powder (1.0 g) under 80 ℃, extraction with an 80 μm divinylbenzene/carboxen/polydimethylsiloxane (DVB/CWR/PDMS) SPME needle for 30 min, followed by desorption from the fiber for a sufficient time (8 min). These conditions led to a 1.6% RSD for the internal-standard peak area across five replicate experiments; hence, the developed method is highly repeatable. The volatile aroma components in tobacco leaves obtained from five different production areas were analyzed using the optimized parameters. A total of 107 volatile aroma compounds were identified, among which ketones, aromatics, and heterocyclic compounds accounted for more than 70% of the total volatile aroma components (excluding neophytadiene). Tobacco leaves obtained from the Shangluo region contained the highest amount of total volatile aroma compounds, followed by leaves from Ankang, Hanzhong, Baoji, and Yan'an regions. Orthogonal partial least squares-discriminant analysis (OPLS-DA) was used to determine the main differential components from the various production regions, which identified 14 differential compounds (primarily ketones and alcohols). This study provides a theoretical basis and reference for further exploring key volatile flavor compounds in leaves sourced from different production areas, as well as for identifying flavor-indicator substances and improving the quality of tobacco leaves.</p>","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 7","pages":"793-804"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12231485/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144562462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Research progress in polyamide-amine dendrimer functionalized ionic separation media]. 聚酰胺-胺枝状大分子功能化离子分离介质的研究进展
Se pu = Chinese journal of chromatography Pub Date : 2025-07-01 DOI: 10.3724/SP.J.1123.2024.06002
Ding Zhou, Dan-Dan Guo, Yan Zhu
{"title":"[Research progress in polyamide-amine dendrimer functionalized ionic separation media].","authors":"Ding Zhou, Dan-Dan Guo, Yan Zhu","doi":"10.3724/SP.J.1123.2024.06002","DOIUrl":"10.3724/SP.J.1123.2024.06002","url":null,"abstract":"<p><p>Recent years have witnessed the gradual use of dendrimers to prepare and modify various separation materials, including adsorbents and chromatographic stationary phases. Polyamide-amine (PAMAM) has become one of the most widely used dendritic materials because it is simple to prepare, inexpensive, hypotoxic, and has excellent performance characteristics. PAMAM is advantageous as a modification material for adsorbents and chromatographic stationary phases compared to other traditional materials. Firstly, the large number of terminal groups on a PAMAM dendrimer provide abundant interaction sites on the surface of the functional matrix, which is beneficial for delivering superior adsorption capacity and separation selectivity. In addition, the hyperbranched structure of a PAMAM dendrimer facilitates higher grafting efficiency on the limited surface area of the matrix while simultaneously improving the uniformity of the functional groups grafted on the surface. Moreover, the controllable structure of PAMAM dendrimer effectively regulates the surface structure of separated materials. Moreover, the terminal amino functional groups of integer-generational PAMAM dendrimer are capable of carrying a high density of positive charges following protonation or quaternization, thereby facilitating good electrostatic interactions with negatively charged anionic substances that lead to excellent enrichment and separation effects. Based on the structural characteristics of integer generation PAMAM dendrimer and the mechanism of ionic interaction, the research progress of protonated or quaternized PAMAM dendrimer in the preparation of ionic adsorbents and ion chromatography stationary phases was summarized in this paper. Their future development potential and applications prospects are also discussed.</p>","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 7","pages":"726-733"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12231487/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144562472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Determination of perfluorinated compounds in environmental water samples by magnetic solid-phase extraction-liquid chromatography-mass spectrometry and associated risk assessment]. [磁固相萃取-液相色谱-质谱法测定环境水样中的全氟化合物及相关风险评估]。
Se pu = Chinese journal of chromatography Pub Date : 2025-06-01 DOI: 10.3724/SP.J.1123.2024.08015
Chen-Shu Gu, Zhen-Zhen Liu, Hui-Ling Jin, Xiao-Qi Liu, Mei-Yu Wang, Wei-Jie Sun, Yang-Ying Sun, Pei-Pei Qi
{"title":"[Determination of perfluorinated compounds in environmental water samples by magnetic solid-phase extraction-liquid chromatography-mass spectrometry and associated risk assessment].","authors":"Chen-Shu Gu, Zhen-Zhen Liu, Hui-Ling Jin, Xiao-Qi Liu, Mei-Yu Wang, Wei-Jie Sun, Yang-Ying Sun, Pei-Pei Qi","doi":"10.3724/SP.J.1123.2024.08015","DOIUrl":"10.3724/SP.J.1123.2024.08015","url":null,"abstract":"&lt;p&gt;&lt;p&gt;Perfluorinated compounds (PFCs) are widely used, persistent, and their presence in water is of significant concern. PFCs, particularly short-chain variants, are highly soluble and mobile in water, which enables their transport over long distances via river systems, potentially leading to extensive contamination. These compounds are resistant to degradation, which is challenging for conventional water-treatment methods that often remove PFCs ineffectively, leading to their prolonged presence in water bodies. This paper establishes a magnetic solid-phase extraction method for 11 PFCs in enriched water using magnetic polystyrene pyrrolidone (Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;-PLS) as a magnetic adsorbent. Purified lipophilic PLS magnetic beads were used as the solid-phase extractant, and their surfaces were modified using phenyl and pyrrolidone groups to facilitate the adsorption of PFCs that contain hydrophilic functional groups and hydrophobic alkyl side chains. PFCs in water were determined accurately and sensitively by liquid chromatography-tandem mass spectrometry (LC-MS/MS). The method involved accurately weighing 50 mg (±0.05 mg) of the Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;-PLS into a 500-mL beaker, adding 2 mL of methanol (for activation), placing the beaker on a magnet for 30 s, and discarding the methanol once the methanol and Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;-PLS had been completely separated. A 200-mL aliquot of an aqueous mixed PFC solution was added to the beaker, sonicated for 15 min, and then placed on a strong magnet until the Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;-PLS had completely separated at the bottom of the beaker. The upper liquid was discarded. A 4-mL acetonitrile containing 0.1% formic acid was added as the Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;-PLS eluent, ultrasonicated for 30 s, after which the beaker was placed on the magnet and the eluate collected. The sample was taken to dryness under a stream of nitrogen, the residue was redissolved in 0.5 mL of acetonitrile, ultrasonicated for 10 s, and then membrane-filtered prior to analysis by LC-MS/MS. The 11 PFCs exhibited good linear relationships ranging from 1 to100 μg/L, with correlation coefficients (&lt;i&gt;R&lt;/i&gt;&lt;sup&gt;2&lt;/sup&gt;) ranging from 0.997 6 to 0.999 9. Limits of detection and quantification (LODs and LOQs, respectively) were determined to be 0.001-0.620 ng/L and 0.002-2.065 ng/L, respectively, indicative of high sensitivity. The 11 PFCs exhibited recoveries of 60.8%-120.0% at various concentrations (0.05, 1, 10, and 50 μg/L). Relative standard deviations (RSDs) ranged from 1.0% to 20.0%, which meet the requirements for PFC analysis in water. The concentrations of the 11 PFCs at 15 sites in the Dongtiaoxi River, Hangzhou (near factories, reservoirs and residential areas) were analyzed using the developed method. A total of six PFCs, namely perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), perfluorooctane sulfonic acid (PFOS), perfluoroheptanoic acid (PFHpS), perfluorobutanesulfonate (PFBS) and pe","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 6","pages":"650-658"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12093205/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Determination of 22 organic ultraviolet absorbers in human serum by ultra performance liquid chromatography- tandem mass spectrometry]. 超高效液相色谱-串联质谱法测定人血清中22种有机紫外吸收剂
Se pu = Chinese journal of chromatography Pub Date : 2025-06-01 DOI: 10.3724/SP.J.1123.2024.10031
De-Jun Bao, Zhuang-Zhuang Feng, Xu Zhang, Qi Sun, Zhuo-Na Zhang, Xiao-Jian Hu, Ying Zhu, Xiao Lin
{"title":"[Determination of 22 organic ultraviolet absorbers in human serum by ultra performance liquid chromatography- tandem mass spectrometry].","authors":"De-Jun Bao, Zhuang-Zhuang Feng, Xu Zhang, Qi Sun, Zhuo-Na Zhang, Xiao-Jian Hu, Ying Zhu, Xiao Lin","doi":"10.3724/SP.J.1123.2024.10031","DOIUrl":"10.3724/SP.J.1123.2024.10031","url":null,"abstract":"<p><p>In this study, a method for the simultaneous determination of 22 organic ultraviolet absorbers (OUVs) in human serum was established by combining protein precipitation technology (PPT), efficiency lipid removal technology (ELR) and ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The OUVs include five benzophenone compounds, five benzotriazole compounds, two cinnamate ester compounds and their three metabolites, two salicylate compounds, two camphor derivative compounds, one triazine compound, one dibenzoylmethane compound and one amino aminobenzoic acid derivative compound. Chromatography was performed using an Acquity BEH C<sub>18</sub> column (100 mm×2.1 mm, 1.7 μm), gradient elution was carried out using methanol-water and methanol-0.1% ammonia water as the mobile phases. Compounds were detected in both positive and negative electrospray ionization (ESI<sup>+</sup>/ESI<sup>‒</sup>) modes using multiple reaction monitoring (MRM), and quantified using stable-isotope internal standards. The experimental results showed that the 22 target compounds exhibited good linear relationships within their respective linear ranges, with the correlation coefficients (<i>r</i>)≥0.999 3. The method detection limits (MDLs) ranged from 0.02 to 0.48 ng/mL, and the method quantification limits (MQLs) ranged from 0.02 to 1.60 ng/mL. At the three spiked levels of low, medium and high, the spiked recoveries of the 22 target analytes ranged from 79.9% to 136.1%, the intra-day precisions were from 1.5% to 25.4%, and the inter-day precisions were from 0.6% to 23.5%. After correction by the stable-isotope internal standard method, the matrix effects of the 22 target analytes in fetal bovine serum were 83.0%‒119.9%. The developed method was successfully used to detect 22 OUVs in 110 human serum samples. With the exception of 3-benzylidene camphor (3-BC), 2-(2<i>H</i>-benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol (UV-9), 4-methylbenzylidene camphor (4-MBC), 2,2'-dihydroxy-4-methoxybenzophenone (BP-8), and 2,4-dihydroxybenzophenone (BP-1), which were not detected, the remaining 17 substances were detected with overall detection rates of 0.9%-65.5% and the detection levels were <MQL‒11.7 ng/mL. The developed analytical method is simple, convenient, highly sensitive, and is expected to become an effective tool for quantifying 22 OUVs in human serum.</p>","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 6","pages":"620-629"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12093204/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[A review and research prospects on the application of the XCMS mass-spectrometry data-processing software in the environmental science field]. [XCMS质谱数据处理软件在环境科学领域的应用综述与研究展望]。
Se pu = Chinese journal of chromatography Pub Date : 2025-06-01 DOI: 10.3724/SP.J.1123.2025.01019
Cheng Yang, Ao Zhang, Zhan-Qi Gao, Guan-Yong Su
{"title":"[A review and research prospects on the application of the XCMS mass-spectrometry data-processing software in the environmental science field].","authors":"Cheng Yang, Ao Zhang, Zhan-Qi Gao, Guan-Yong Su","doi":"10.3724/SP.J.1123.2025.01019","DOIUrl":"10.3724/SP.J.1123.2025.01019","url":null,"abstract":"&lt;p&gt;&lt;p&gt;Biological and environmental samples are complex and contain a highly diverse range of compounds. Analyzing these samples by chromatography-high-resolution mass spectrometry generates a substantial volume of mass-spectrometry data that are composed of mass-to-charge-ratio (&lt;i&gt;m/z&lt;/i&gt;), retention-time (RT), and peak-intensity information that require considerable time and energy to process. Consequently, employing software to process mass-spectrometry data for identification and analysis purposes is imperative. Among the many mass-spectrometry data-processing options, XCMS (various forms (X) of chromatography mass spectrometry), which is highly efficient, precise, and freely accessible software for processing mass-spectrometry data, is broadly used in the environmental science field. This study aimed to explore the use of XCMS in environmental science applications by comprehensively reviewing the workflow, underlying principles, and parameter-optimization measures of XCMS. The workflow mainly includes importing, processing, and exporting data. Importing data requires the use of format conversion tools, such as MSConvert, which converts data generated by various instruments into a format acceptable by XCMS, while data processing includes peak detection, alignment, and filling. The various XCMS functions are mainly realized via its built-in algorithms, with the Matched Filter, CentWave, Obiwarp, and Peak Density algorithms most commonly used. The first two algorithms implement the peak-detection function, while the latter two implement the peak-alignment function. XCMS identifies compound peaks from mass-spectrometry data during peak-detection; it first filters for noise and corrects the baseline. An algorithm then detects peaks based on their shapes and intensities. XCMS can also de-emphasize and de-distort to filter out interfering information in each peak signal. The CentWave algorithm is particularly effective for processing high-resolution mass-spectrometry data by improving detection accuracy and recall. Peak-detection is followed by alignment. Here, XCMS uses kernel density estimations to match peaks between samples by estimating the retention-time distribution of matched peaks, which corrects for any nonlinear deviations in retention-times. This step is critical for accurately comparing samples. The peak-filling step resolves missing peaks in the data, and XCMS uses information from other samples to fill these gaps. This process enhances the integrity of the dataset and improves analysis accuracy. In terms of applications, XCMS has demonstrated significant progress for the non-targeted screening of environmental pollutants, identifying exogenous metabolic pollutant transformations, and exploring the endogenous metabolisms of biomolecules. For example, XCMS efficiently extracts the mass spectrometry of complex samples during the non-targeted screening of environmental pollutants, thereby providing a reliable database for subsequent iden","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 6","pages":"585-593"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12093214/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Applications of ordered porous materials in chromatography separation and analysis]. 有序多孔材料在色谱分离分析中的应用
Se pu = Chinese journal of chromatography Pub Date : 2025-06-01 DOI: 10.3724/SP.J.1123.2024.05032
Zhao-Xu Wang, Duan-da Wang, Shu-Tao Wang, Yong-Yang Song
{"title":"[Applications of ordered porous materials in chromatography separation and analysis].","authors":"Zhao-Xu Wang, Duan-da Wang, Shu-Tao Wang, Yong-Yang Song","doi":"10.3724/SP.J.1123.2024.05032","DOIUrl":"10.3724/SP.J.1123.2024.05032","url":null,"abstract":"<p><p>Chromatography, a highly efficient and selective separation technology, is broadly applicable and exhibits a range of developmental prospects. The stationary phase of a chromatography column is the most important component of chromatography; hence, the development of advanced stationary-phase materials that exhibit highly resolved separation performance is a continuing research hotspot in this field. In this regard, ordered porous materials (OPMs) are advantageous owing to their precisely controllable pore sizes, morphologies, and regularly arranged pore structures, which are capable of accurately sieving molecules of different sizes and shapes, and reducing disordered molecular diffusion in the flow path. Such materials overcome the limitation of separation accuracy of traditional chromatographic materials, and effectively solve the problems faced by scientific research and industry in the purification of raw materials and products. Over the past few decades, a variety of new OPMs have been developed and used as stationary-phase matrices in chromatography columns. These materials have efficiently and rapidly separated homologues, isomers, isotopes, and other substances with similar properties, and have delivered excellent chromatographic separation and analysis results. In this review, we first discuss the influence of ordered porous structures on column efficiency and resolution during chromatographic separation from a theoretical perspective, which provides a basis for the use of OPMs as stationary phases in chromatography. This review then summarizes research progress on several different OPM types for use in chromatographic separation and analysis applications, including metal organic frameworks (MOFs), covalent organic frameworks (COFs), porous organic cages (POCs), mesoporous silica materials, block copolymer (BCP) assemblies, and high internal-phase emulsion polymers (PolyHIPEs). The review concludes by discussing current challenges faced by chromatographic OPMs as well as directions for future development.</p>","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 6","pages":"594-605"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12093217/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113062","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Exposure characteristics of monohydroxypolycyclic aromatic hydrocarbons and influencing factors in urban residents]. [城市居民单羟基多环芳烃暴露特征及影响因素]。
Se pu = Chinese journal of chromatography Pub Date : 2025-06-01 DOI: 10.3724/SP.J.1123.2024.10006
Hui Fu, Yi-Fu Lu, Lin-Na Xie, Ying Zhu, Zheng Li, Xiao-Jian Hu
{"title":"[Exposure characteristics of monohydroxypolycyclic aromatic hydrocarbons and influencing factors in urban residents].","authors":"Hui Fu, Yi-Fu Lu, Lin-Na Xie, Ying Zhu, Zheng Li, Xiao-Jian Hu","doi":"10.3724/SP.J.1123.2024.10006","DOIUrl":"10.3724/SP.J.1123.2024.10006","url":null,"abstract":"&lt;p&gt;&lt;p&gt;Polycyclic aromatic hydrocarbons (PAHs) are organic pollutants that are ubiquitous in nature and in environments affected by anthropogenic activities. PAHs enter the human body through inhalation, ingestion, or skin contact, and consequently threaten human health. Urban areas are mostly affected by PAHs pollution, which is ascribable to dense population, heavy traffic, and limited air-pollutant diffusion. In this study, we assessed the current status of PAHs exposure among non-occupationally exposed urban residents using isotope dilution combined with liquid-liquid extraction-gas chromatography-high resolution dual-focus magnetic mass spectrometry (GC-HRMS). The burden of PAHs of 92 permanent residents aged 2 to 80 years in Beijing was investigated. Ten monohydroxypolycyclic aromatic hydrocarbons (OH-PAHs) were measured in urine samples, namely hydroxynaphthalene (OHNap, including 1-OHNap and 2-OHNap), hydroxyfluorene (OHFlu, including 2-OHFlu, 3-OHFlu, and 9-OHFlu), hydroxyphenanthrene (OHPhe, including 1-OHPhe, 2-OHPhe, 3-OHPhe, and 4-OHPhe), and 1-hydroxypyrene (1-OHPyr). The OH-PAH levels were corrected with urinary creatinine, with results below LODs replaced with half the value of LODs. Correlations between OH-PAHs were assessed using Spearman's rank correlation analysis (two-tailed). The nonparametric Mann-Whitney U test and the Kruskal-Wallis H test were used to compare the distribution of OH-PAH levels in different populations. The results showed that six OH-PAHs (1-OHNap, 2-OHNap, 2-OHFlu, 9-OHFlu, 1-OHPhe, and 2-OHPhe) were detected in all the urine samples. The total contents (ΣOH-PAHs) of the 10 OH-PAHs ranged from 661 to 33 782 ng/g, with an overall geometric mean (GM) of 2 775 ng/g and significant inter-individual differences. The following content-distribution trend was observed: OHNap&gt;OHFlu&gt;OHPhe&gt;1-OHPyr, with a significant negative correlation with molecular size recorded. OHNap was mainly observed, accounting for 62.2% of the total. Complex correlations were found to existed between the OH-PAHs, with 9-OHFlu exhibiting unique exposure patterns. Urinary OH-PAH levels were found to correlate with gender and age, and smoking was also observed to be a significant influencing factor. ΣOH-PAHs peaked in the youth group (0‒15 years), with a GM of 3 940 ng/g. Levels of ΣOH-PAHs were similar in the working-age group (16‒59 years, GM: 2 598 ng/g) and in the elderly group (≥60 years, GM: 2 639 ng/g). These suggest that age is a key PAH-exposure factor. Habitual smoking was found to consistently and significantly affect OH-PAH levels, with smokers generally having higher levels of OH-PAH than non-smokers. While males exhibited higher overall exposure levels than females, females exhibited significantly higher levels of 1-OHPyr than males (&lt;i&gt;p&lt;/i&gt;=0.03) when smoking was excluded, which suggests that metabolic and behavioral differences between genders impact PAHs exposure. This study revealed the exposure and distribution characteris","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 6","pages":"670-677"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12093216/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[Simultaneous determination of 10 phthalate metabolites in urine by ultra performance liquid chromatography -tandem mass spectrometry]. 超高效液相色谱-串联质谱法同时测定尿中10种邻苯二甲酸酯代谢物
Se pu = Chinese journal of chromatography Pub Date : 2025-06-01 DOI: 10.3724/SP.J.1123.2024.04002
Xiao-Ying Zhao, Hui Kang, Yan-Yan Wang, Wen-Hui Li, Ming Chen, Chan Ke, Feng Qin, Xi-Xiong Kang
{"title":"[Simultaneous determination of 10 phthalate metabolites in urine by ultra performance liquid chromatography -tandem mass spectrometry].","authors":"Xiao-Ying Zhao, Hui Kang, Yan-Yan Wang, Wen-Hui Li, Ming Chen, Chan Ke, Feng Qin, Xi-Xiong Kang","doi":"10.3724/SP.J.1123.2024.04002","DOIUrl":"10.3724/SP.J.1123.2024.04002","url":null,"abstract":"<p><p>Phthalates (PAEs) are widely employed as plasticizers in plastic products that are used in industrial, agricultural, food, medical, and other fields. PAEs are relatively weakly bonded to plastic products through non-covalent interactions. Consequently, PAEs can easily leak from the product into the environment, which exposes the public to PAEs through food intake, skin absorption from personal care products, and by inhaling air. Related studies have shown that PAEs are endocrine-disrupting substances and that long-term exposure to PAEs may result in diseases of the nervous, reproductive, cardiovascular and immune systems. In addition, excessive exposure to PAEs may trigger inflammatory responses and induce tumors. Therefore, establishing a highly sensitive assay for determining PAE levels in the human body following exposure is an important objective. PAEs generally have half-lives of less than 24 h; they are rapidly metabolized through enzymatic hydrolysis after entering the human body and excreted through urine. Therefore, most studies have focused on PAE metabolites as target compounds; hence, human body exposure to PAEs can be assessed by analyzing the types and levels of these metabolites. Herein, we established a method for simultaneously determining ten phthalate (PAE) metabolites in human urine using ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The ten PAE metabolites in urine were separated using an ACQUITY UPLC BEH Phenyl column (50 mm×2.1 mm, 1.7 μm). Gradient elution was performed using 0.1% formic acid aqueous solution and 0.1% formic acid in acetonitrile as the mobile phases, at a flow rate of 0.5 mL/min, a column temperature of 40 ℃, and a sample size of 20 μL. Data were acquired in negative-ion electrospray ionization (ESI) and multiple reaction monitoring (MRM) modes, and quantified using the isotope internal standard method. The method was found to be highly specific, with the ten PAE metabolites exhibiting good linearities in their linear ranges, with limits of detection (LODs) and quantification (LOQs) of 0.03-0.3 and 0.1-1 ng/mL, respectively. Under the four quality control (QC) levels, the intra-day and inter-day precisions of the ten PAE metabolites were all ≤8.3%, and the accuracy ranged from ‒10.5% to 7.3%. The method was used to assess the exposure levels of PAE metabolites in the urine samples of 60 volunteers, with 1‒6 kinds of PAE metabolites detected in the urine of each volunteer. This method is sensitive, accurate, simple, efficient, and suitable for the large-scale biological monitoring of PAE metabolites.</p>","PeriodicalId":101336,"journal":{"name":"Se pu = Chinese journal of chromatography","volume":"43 6","pages":"640-649"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12093213/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144113190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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