Rapid Communications in Mass Spectrometry最新文献

{"title":"Comparing Dual Water Equilibration Methods for Hydrogen Stable Isotope Analysis of Plant Carbohydrates and Proteinaceous Animal Samples","authors":"Daniel B. Nelson,&nbsp;Ansgar Kahmen,&nbsp;Jochem Baan,&nbsp;Selina Hugger,&nbsp;Cristina Mercoli,&nbsp;Meisha Holloway-Phillips","doi":"10.1002/rcm.10091","DOIUrl":"https://doi.org/10.1002/rcm.10091","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The hydrogen stable isotope composition (<i>δ</i> ²H) of organic samples carries information about processes including hydrology, climate, ecology, and plant metabolism. Numerous methods exist to control for hydrogen in organic samples that can isotopically exchange with ambient water or vapor.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>We compared two established dual water steam equilibration approaches to control for exchangeable hydrogen in isotopic analysis: hot vacuum equilibration using the Uniprep autosampler and hot atmospheric pressure equilibration under varying equilibration temperatures and times. We evaluated how the extent of hydrogen isotope exchange and calculated exchange-corrected hydrogen stable isotope values varied among methods and sample types.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>More exchange could be achieved with atmospheric pressure methods compared to the Uniprep, and we confirmed that this was not a drying artifact. When direct comparisons were possible, atmospheric pressure methods yielded <i>δ</i> ²H values that agreed better with values from chemical derivatization, while Uniprep values agreed better with values provided for purchased reference materials based on room temperature equilibrations. Best long-term precision was achieved with fitted rather than prescribed isotope fractionation factors for equilibration.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Different equilibration methods can give reproducible yet distinct results. This is due to varying degrees to which different methods access non–carbon-bound hydrogen that is difficult to liberate from interior hydrogen bonds in complex biological structures such as cellulose or keratins. The optimal method depends on the application.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144299578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural Characterization of Pragia fontium Lipid A by MALDI Mass Spectrometry","authors":"Linda K. Nartey,&nbsp;Abanoub Mikhael,&nbsp;Hyojik Yang,&nbsp;David Šmajs,&nbsp;Robert K. Ernst,&nbsp;Helena Pětrošová,&nbsp;David R. Goodlett","doi":"10.1002/rcm.10087","DOIUrl":"https://doi.org/10.1002/rcm.10087","url":null,"abstract":"","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144273168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Direct Probe Ionisation Mass Spectrometry for Rapid and Accurate Determination of Perfluoroalkyl and Polyfluoroalkyl Substance Concentrations","authors":"Tim P. Sidnell,&nbsp;Simone C. Mathias,&nbsp;David P. Megson,&nbsp;Patrick J. Sears,&nbsp;Madeleine J. Bussemaker","doi":"10.1002/rcm.10079","DOIUrl":"https://doi.org/10.1002/rcm.10079","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Analysis of perfluoroalkyl and polyfluoroalkyl substances (PFAS) is typically achieved using chromatographic techniques, such as high-performance liquid chromatography, combined with mass spectrometry. These techniques can be complex, expensive, time consuming and can lead to inaccurate quantification due to sample container sorption and contamination by polytetrafluoroethylene (PTFE) components.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Here, we demonstrate the novel application of a Direct Probe ionisation Mass Spectrometer (DPiMS) to quantify four aqueous anionic PFAS; perfluorooctanoic acid (PFOA), perfluorooctane sulfonic acid (PFOS), perfluorononanoic acid (PFNA) and 1H,1H,2H,2H-perfluorooctanesulfonic acid (6:2 fluorotelomer surfactant). The DPiMS was operated in both Single Ion Monitoring (SIM) and broad <i>m/z</i> scan range (50–500) modes and the cleaning methodology, ionising voltage and desolvation line heating temperature were optimised.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The derived method quantified both single component and mixtures of PFAS from 0.5 nM to 200 μM (0.2 ppb to 108 ppm) without use of pre-concentration. The advantages of this technique over chromatographic techniques are; the speed of analysis (≈3.5 min per sample, including blanks/cleaning), lack of PTFE components and simplified methodology.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The DPiMS is a useful tool for the rapid screening and estimation of PFAS concentrations with results that are comparable to existing methods. It is anticipated that better sensitivity could be achieved with the use of a triple quadrupole instrument.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10079","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mass Spectrometry Imaging in Archaeobotany: An Illustration Through Analytical Characterisation of Sesame Lignans","authors":"Huanxi Li,&nbsp;Bin Han,&nbsp;Hongen Jiang,&nbsp;Bo Wang,&nbsp;Mengxuan Chen,&nbsp;Mianbo Ning,&nbsp;Yimin Yang","doi":"10.1002/rcm.10084","DOIUrl":"https://doi.org/10.1002/rcm.10084","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Morphological analysis has been frequently applied in archaeobotany. Recently, increasing studies have been conducted on the identification of biomarkers in archaeobotanical materials, which are rarely attached to morphological analysis. To improve the interpretability of biomarker analysis, the localisation of characteristic biomarkers in ancient samples is needed.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>We analysed characteristic lignans in ancient/modern sesame seeds via matrix-assisted laser desorption ionisation quadrupole time-of-flight mass spectrometry imaging (MSI), testifying the potential of MSI in a detailed discussion of ancient plant use practices.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The MSI distributions of sesamin and sesamolin shared similar traits in modern and ancient sesame seeds while their MSI signals were inhibited by lipidic substances in in situ MSI tests. Besides targeted biomarker characterisation, nontargeted MSI analysis showed potential to reveal plant material treatment process.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Botanical biomarker distribution traits were studied for the first time in archaeobotany. The MSI created a visualised colour plot with localised compound distributions, in which archaeologists can visually aid their study of plant use in antiquity. This, in some cases, provides key information for understanding the livelihoods of ancient people.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Miniature Mass Spectrometry for VOCs Analysis: Recent Developments in Instrumentation and Applications","authors":"Junhe Cao,&nbsp;Ting Jiang,&nbsp;Wei Xu","doi":"10.1002/rcm.10088","DOIUrl":"https://doi.org/10.1002/rcm.10088","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Volatile organic compounds (VOCs) are critical indicators of environmental and biological processes and their analysis is essential for various applications, including environmental monitoring, food safety and clinical diagnostics.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Traditional mass spectrometry (MS) techniques, such as gas chromatography–mass spectrometry (GC–MS), are widely regarded as gold standards for VOCs detection. However, their lack of portability and limited real-time analytical capabilities hinder their widespread use in on-site and rapid detection applications. Miniature mass spectrometry has emerged as a promising solution by integrating compact instrumentation with innovative ionization techniques, including ultraviolet-based, plasma-based and electron ionization methods.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Recent advancements in mini-MS have focused on enhancing portability, sensitivity and adaptability to complex sample matrices. These developments include the integration of novel sampling interfaces, such as membrane inlet and atmospheric pressure interfaces. Despite these advances, challenges remain in optimizing sensitivity, selectivity and compatibility with real-world samples.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This review synthesizes recent progress in the field of miniature mass spectrometry for VOCs analysis, emphasizing key technological innovations, such as ionization and sampling improvements, portable platform development. The review also explores mini-MS applications in food authenticity, clinical diagnostics, highlighting the growing potential of these technologies to revolutionize on-site, real-time VOCs detection across diverse fields.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tracing Migration Routes of Sepia esculenta in the East China Sea Using ICP-MS and ICP-OES Analysis of Cuttlebone Elemental Signatures","authors":"Fang Guo,&nbsp;Guanyu Hu,&nbsp;Zhou Fang,&nbsp;Peiwu Han,&nbsp;Long Chen,&nbsp;Bilin Liu","doi":"10.1002/rcm.10089","DOIUrl":"https://doi.org/10.1002/rcm.10089","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p><i>Sepia esculenta</i> is a commercially important cephalopod in Chinese coastal waters, exhibiting predictable offshore spawning migrations. Understanding its migratory behavior is critical for sustainable fishery management. Because the cuttlebone records environmental information during the organism's life, elemental profiling presents a promising approach to reconstructing migration routes. This study aimed to investigate spatial variations in cuttlebone elemental composition and identify geochemical markers indicative of migration patterns.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Cuttlebones of <i>S. esculenta</i> were sectioned into five spatial regions and powdered. Trace elements were quantified using inductively coupled plasma mass spectrometry (ICP-MS, iCAP Q, Thermo Fisher Scientific, USA), while major elements were measured by inductively coupled plasma optical emission spectrometry (ICP-OES, Thermo iCAP 7200 Series, Agilent Technologies, USA). Sea surface temperature (SST) data were retrieved from the Copernicus Marine Service to correlate elemental signatures with environmental conditions.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Ca was confirmed as the dominant element in all regions of the cuttlebone, with significant spatial variability observed in trace element concentrations. Na and Ba exhibited clear environmental correlations and were selected as geochemical indicators for migration inference. The elemental patterns suggest that <i>S. esculenta</i> spawns and hatches in coastal waters, migrates southward under the influence of warm currents, and returns to the central East China Sea for foraging.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This study demonstrates that multi-elemental analysis of cuttlebone, using ICP-MS and ICP-OES, can effectively reconstruct migration routes of cuttlefish. The approach provides a cost-efficient method of tracing marine animal movements and offers valuable insights into the ecological behavior and management of <i>S. esculenta</i> in the East China Sea.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development and Validation of a Liquid Chromatography High-Resolution Mass Spectrometry Method for Blood Desmopressin Quantification and Its Application in Hemophilia A Patients","authors":"Sophie Hodin,&nbsp;Jean Escal,&nbsp;Catherine Feliu,&nbsp;Adeline Pontis,&nbsp;Laurie Josset,&nbsp;Adrian Serban,&nbsp;Benoît Guillet,&nbsp;Xavier Delavenne","doi":"10.1002/rcm.10086","DOIUrl":"https://doi.org/10.1002/rcm.10086","url":null,"abstract":"<p>Desmopressin (DDAVP), which indirectly increases Coagulation Factor VIII concentrations in the blood, is a common treatment for bleeding disorders such as von Willebrand disease or hemophilia A. However, DDAVP exhibits significant variability in response due to interindividual differences in pharmacokinetics. Consequently, exploring its pharmacokinetics is of primary importance to better understand the relationship between DDAVP administration and therapeutic outcomes. To that end, the measurement of DDAVP concentration is essential. This article describes the development and validation of a liquid chromatography method coupled with high-resolution mass spectrometry detection for quantifying DDAVP in human plasma. After sample pretreatment involving protein precipitation followed by solid-phase extraction, quantification was based on the four most intense isotopes, utilizing targeted single ion monitoring, with a method range of 20–2000 pg.mL⁻¹. For the four QC levels, accuracy and precision for both inter- and intra-assay measurements were below 11.6% and 13.8%, respectively, meeting FDA recommendations. After validation, this method was applied to a cohort of 10 patients with a deficiency in Coagulation Factor VIII, who received 0.3 μg.kg⁻¹ of desmopressin acetate. The mean volume of distribution at steady state was 18.8 L (CV% 26.7), the mean clearance was 7.8 L.h⁻¹ (CV% 25.1), and the mean half-life was 1.8 h (CV% 14.7). Offering valuable insights into the pharmacokinetics of DDAVP, this method will be useful for further studies and holds promise for optimizing treatment regimens in this patient population.</p>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10086","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanisms of Anemarrhenae Rhizoma in Treating Osteoporosis in Rats: An Integrated Metabolomics and Transcriptomics Analysis","authors":"Yuxin Wen,&nbsp;Zhuang Huang,&nbsp;Xing Hong,&nbsp;Qi Jiang,&nbsp;Lintao Han,&nbsp;Qiong Wang,&nbsp;Jun Wang,&nbsp;Xiaoqiang Shang,&nbsp;Zhenwei Wu,&nbsp;Tao Huang","doi":"10.1002/rcm.10069","DOIUrl":"https://doi.org/10.1002/rcm.10069","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Objective</h3>\u0000 \u0000 <p>This study aims to investigate the therapeutic efficacy of Anemarrhenae Rhizoma (AR) in a rat osteoporosis (OP) model and elucidate its underlying regulatory network mechanisms mediating OP amelioration.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Transcriptome profiling through RNA sequencing was utilized to identify differentially expressed genes in rat femoral tissues. Serum metabolic alterations were quantitatively assessed by gas chromatography–mass spectrometry. A combined approach incorporating both transcriptomic and metabolomic datasets enabled the establishment of molecular interaction networks between metabolites and genes. Validation of crucial molecular targets was achieved via quantitative PCR and western-blotting technique, providing mechanistic insights into AR's anti-osteoporotic activity.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>AR treatment markedly alleviated ovariectomy (OVX)-induced femoral impairment, effectively suppressing bone resorption while enhancing bone formation, ultimately ameliorating OP progression. Transcriptomic and metabolomic profiling revealed that AR intervention significantly altered the expression profiles of 698 genes and 28 endogenous metabolites in OP rats. Through constructing interaction networks of differentially expressed genes and metabolites, we identified seven pivotal metabolites and six hub genes, which were found to modulate amino acid metabolism, lipid metabolism, and other bone metabolism-related pathways, forming a multi-omics regulatory axis underlying AR's therapeutic effects.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>AR exerted therapeutic effects on OP in rat models through positive regulation of femoral transcriptional profiles and endogenous metabolites.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Green Analytical Method for Differentiating Fresh and Stored Green Teas via Determining Their Tricarboxylic Acid Organic Acids","authors":"Guoliang Huang,&nbsp;Yuting Kang,&nbsp;Fang Qi,&nbsp;Yunfeng Chai,&nbsp;Hongyuan Zhang,&nbsp;Kezhi Jiang","doi":"10.1002/rcm.10092","DOIUrl":"https://doi.org/10.1002/rcm.10092","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> <b>Rationale:</b> Tea is a popular nonalcoholic beverage; nevertheless, some traders utilize stored tea as a substitute for fresh tea, a practice that has had a nasty effect on the market. Thereby, it is necessary to develop an objective method to distinguish between fresh and stored tea samples.</h3>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> <b>Methods:</b> In this work, a simple method has been developed for the determination of eight organic acids of the tricarboxylic acids (OTCAs), including citric acid, malic acid, α-ketoglutaric acid, <i>cis</i>-aconitic acid, succinic acid, malonic acid, and fumaric acid, in 38 tea samples. The extraction and pretreatment of OTCA in tea were conducted using a 0.1% formic acid solution and activated carbon.</h3>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> <b>Results:</b> The LOQ (10 S/N) of the method is between 0.47 and 0.9 ng/mL, the method RSD ≤ 10%, the surface method is stable and reliable, and the AGREEprep score, which corresponds to the method's performance, was calculated to be 0.59, indicating that the method aligns with the principles of green analytical chemistry. Then, these OTCAs in 38 tea samples were simultaneously determined by LC–MS analysis of the extract.</h3>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> <b>Conclusion:</b> It is noteworthy that distinctive differences in the concentration have been obtained for malic acid, succinic acid, and α-ketoglutaric acid in the fresh tea versus the stored tea, respectively, indicating that these OTCAs can be selected as the potential biomarkers for the differentiation of stored tea samples from fresh ones.</h3>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of Botanicals Based on Their Chemical Barcode Using Ultraperformance Liquid Chromatography–Mass Spectrometry","authors":"Akhilesh Kumar,&nbsp;Mohsin Ali,&nbsp;Avinash Kumar,&nbsp;Dipak Kumar Mishra,&nbsp;Sanjeev Kanojiya","doi":"10.1002/rcm.10081","DOIUrl":"https://doi.org/10.1002/rcm.10081","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Plants synthesize diverse secondary metabolites, often specific to particular species. These metabolites (phytochemicals) exhibit restricted distribution among certain plant families, genera, or species. Due to their species-specific characteristics, they can serve as chemical markers to identify and authenticate economically important botanicals.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Method</h3>\u0000 \u0000 <p>Ultrahigh performance liquid chromatography–mass spectrometry (UHPLC–MS) and a plant metabolome reference library were utilized to identify and authenticate botanicals based on their characteristic phytochemicals.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Result</h3>\u0000 \u0000 <p>A chemical barcode refers to a unique molecular weight sequence (e.g., M.W. 216, 392, 390, 438, 542, 368, and 495 for <i>Curcuma longa</i>) of characteristic phytochemicals of particular plant species. This study reports the utilization of a plant metabolome library, LC–MS, and MS/MS data to facilitate the identification of botanicals based on their chemical barcode. We have analyzed 20 economically important medicinal plant species (<i>A. nilotica</i>, <i>A. calamus</i>, <i>A. scholaris</i>, <i>B. monnieri</i>, <i>B. diffusa</i>, <i>C. asiatica</i>, <i>C. sativus</i>, <i>C. longa</i>, <i>F. religiosa</i>, <i>M. alba</i>, <i>M. fragrans</i>, <i>N. sativa</i>, <i>O. tenuiflorum</i>, <i>P. amarus</i>, <i>P. betel</i>, <i>P. longum</i>, <i>P. nigrum</i>, <i>P. pinnata</i>, <i>S. asoca</i>, and <i>V. negundo</i>); no false results were observed in multiple tested samples. Apart from this, barcoded metabolites were also identified to validate the results based on previously reported phytochemicals from respective plant species and their mass spectrometry data.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>This approach facilitated the successful identification of botanicals through their chemical barcode and utilized a web-based LC–MS/MS library of nontargeted plant secondary metabolites.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144244787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}