Rapid Communications in Mass Spectrometry最新文献

{"title":"Molecular-Level Characterization of Native Lignin Oligomers From Flow-Through Solvolysis of Biomass by High-Performance Liquid Chromatography–Tandem Mass Spectrometry","authors":"Zhongyue Zhou,&nbsp;Linyu Zhu,&nbsp;Xintong Xiao,&nbsp;Cunhao Cui,&nbsp;Fei Qi","doi":"10.1002/rcm.70147","DOIUrl":"10.1002/rcm.70147","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Comprehensive characterization of lignin-derived oligomers remains a major analytical challenge because of their high structural diversity and the lack of methods capable of resolving native interunit linkages in complex biomass-derived mixtures. Molecular-level understanding of these oligomers is essential for elucidating lignin depolymerization mechanisms and guiding biomass valorization strategies.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Lignin oligomers generated from methanol-based flow-through solvolysis of birch sawdust were analyzed by high-performance liquid chromatography coupled with ultraviolet detection and tandem mass spectrometry (HPLC-UVD/MSⁿ). Chromatographic separation was performed on tandem reversed-phase C18 columns, and structural characterization was achieved using electrospray ionization Orbitrap mass spectrometry with higher-energy collisional dissociation (HCD).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Distinct chromatographic behaviors were observed for lignin-derived products with different degrees of polymerization, enabling differentiation of monomeric and oligomeric species. Tandem MS analysis of representative oligomers revealed characteristic fragmentation pathways that enabled structural elucidation of oligomers. β-O-4 linkages were identified as the predominant interunit structures, and native β-β motifs were also characterized.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Untargeted molecular-level characterization of lignin-derived products generated from methanol-based flow-through solvolysis of birch biomass provides direct insights into the composition and interunit linkages of native-like lignin oligomers. These findings reveal the structural diversity of biomass-derived oligomers and bridge the gap between model-compound studies and real biomass-derived lignin systems.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148597097","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":"Design of a New FAIMS Device With Replaceable Accessories and Analysis of the Impact of Spacing","authors":"Yi Wu,&nbsp;Yao Li,&nbsp;Yankun Shi,&nbsp;Xiaoxia Du,&nbsp;Hua Li","doi":"10.1002/rcm.70148","DOIUrl":"10.1002/rcm.70148","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The plate spacing has a significant impact on the resolution and sensitivity of High-Field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS). Theoretical and experimental analysis of this parameter is of great significance for improving the performance of FAIMS.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>A self-designed modular FAIMS device with replaceable upper and lower PCB plates was developed to provide a reliable experimental platform for investigating plate spacing as a single variable. In this device, the fixed mechanical positioning and conductive-contact connection help restore consistent electrode positioning. Theoretical analysis and SIMION simulations were first performed to predict the influence of plate spacing, followed by experimental validation. Plate spacings of 0.3, 0.4, 0.5, and 0.6 mm were set, and acetone samples were detected under the same electric field conditions.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The simulation and experimental results show that with the increase of plate spacing, the FAIMS signal intensity (peak height) increases significantly: when the plate spacing increases from 0.3 to 0.6 mm, the signal intensity of the main peak increases by approximately 100%, and that of the secondary peak increases 4.6-fold. Moreover, the relative standard deviation (RSD) of all spacings is below 5%. Increasing the plate spacing significantly improves the sensitivity of the FAIMS system while the resolution does not change significantly, and the system maintains good separation capability.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This study provides a theoretical basis and practical guidance for the optimal design of FAIMS instruments.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148597086","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":"Orbitrap HRMS-Based Comprehensive Metabolite Characterization of Duvelisib in Cross-Species Hepatocytes","authors":"Balabhau Warkad,&nbsp;Swapnil Sharma,&nbsp;Prakash Niguram,&nbsp;Amol Chhatrapati Bisen,&nbsp;Sarvesh Paliwal,&nbsp;Anand Prakash","doi":"10.1002/rcm.70141","DOIUrl":"10.1002/rcm.70141","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Duvelisib (DVB), a selective PI3K-δ/γ inhibitor approved for chronic lymphocytic leukemia, requires detailed metabolic characterization to support early drug development and selection of appropriate toxicology species. Because drug metabolism varies across species, an integrated system such as primary hepatocytes containing both Phase I and Phase II enzymes is critical for accurately defining metabolic pathways and identifying potential reactive metabolites.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>DVB metabolism was investigated using primary hepatocytes from human, monkey, dog, rat, and mouse. Incubated samples were analyzed using high-resolution mass spectrometry (HRMS) to detect and characterize metabolites. Structural elucidation was performed based on MS/MS fragmentation patterns. Mechanistic studies were conducted using a selective aldehyde oxidase (AO) inhibitor to assess the role of AO in DVB metabolism.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>DVB underwent diverse metabolic transformations, including oxidation, <i>N</i>-dealkylation, <i>N</i>-glucuronidation and glutathione (GSH) conjugation, leading to the identification of 18 putative metabolites. Thirteen metabolites, including several glucuronide and GSH conjugates were newly identified. AO-mediated oxidation on the purine ring emerged as a major pathway and was significantly reduced in the presence of an AO inhibitor, confirming its involvement. Two previously unreported GSH conjugates were also characterized, suggesting potential sites of reactive metabolite formation and associated toxicity risk. Comparative analysis revealed distinct species-dependent metabolic profiles, with both shared and species-specific metabolites identified among human, mouse, rat, dog, and monkey hepatocytes.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The present study provides a comprehensive cross-species metabolic profile of DVB, highlighting key pathways and novel metabolites, including those linked to potential toxicity. Mouse hepatocytes are recommended for future toxicological studies.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 20","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148597072","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":"High-Resolution LC–MS/MS Characterization of Budmunchiamine-Type Alkaloids in Albizia niopoides","authors":"Maria L. A. Majevski,&nbsp;Lienne D'Auria Lima,&nbsp;Adriana C. C. Reis,&nbsp;Leonan I. C. R. Santos,&nbsp;Brenno F. S. Vargas,&nbsp;Markus Kohlhoff,&nbsp;Geraldo Célio Brandão","doi":"10.1002/rcm.70142","DOIUrl":"10.1002/rcm.70142","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Budmunchiamines are macrocyclic spermine alkaloids that constitute a distinctive class of polyamine natural products predominantly found in species of the genus <i>Albizia</i>. Comprehensive characterization of these compounds remains challenging because of their structural diversity and the limited availability of reference standards. This study aimed to profile the budmunchiamine alkaloids present in the trunk bark of <i>Albizia niopoides</i> using high-resolution tandem mass spectrometry.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Alkaloids were extracted from the trunk bark of <i>A. niopoides</i> and analyzed by ultrahigh-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UHPLC–ESI–QTOF–MS) operated in positive ionization mode. Compound annotation was based on accurate mass measurements (≤ 5 ppm), chromatographic retention behavior, isotopic patterns, and diagnostic MS/MS fragmentation, supported by comparison with published data.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Twenty-six macrocyclic spermine alkaloids were detected and annotated. The MS/MS spectra consistently exhibited characteristic budmunchiamine fragment ions at <i>m/z</i> 214, 171, 169, and 129, together with diagnostic neutral losses, confirming assignment to this structural class. Six compounds were identified as the known budmunchiamines L1, L4, L5, and L6, whereas two corresponded to previously synthesized analogues (Compounds 2 and 21). The remaining 20 compounds displayed distinct precursor ions but closely related fragmentation pathways, indicating previously unreported budmunchiamine-type analogues.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>UHPLC–ESI–QTOF–MS/MS proved to be an effective strategy for the dereplication and structural annotation of macrocyclic spermine alkaloids from <i>A. niopoides</i>. The results substantially expand the known chemical diversity of budmunchiamines in this species and demonstrate the value of high-resolution tandem mass spectrometry for the characterization of structurally complex natural products.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13401227/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148583240","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":"Hybrid CFD-DSMC Simulation of Ion Transport in Photoionization Mass Spectrometry: From Atmospheric Pressure to High Vacuum","authors":"Zhiwei Wen,&nbsp;Shijun Gao,&nbsp;Jun Huang,&nbsp;Guangqi Wang,&nbsp;Yihan Tang,&nbsp;Chengyuan Liu,&nbsp;Minggao Xu,&nbsp;Hui Gao,&nbsp;Xudi Wang,&nbsp;Jiuzhong Yang,&nbsp;Yang Pan","doi":"10.1002/rcm.70138","DOIUrl":"10.1002/rcm.70138","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The ion motion within a mass spectrometer is governed by the coupling of gas dynamics and electric fields. Therefore, a comprehensive understanding of ion transport from atmospheric pressure to the high-vacuum mass analyzer is crucial.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>In this work, a hybrid computational fluid dynamics–direct simulation Monte Carlo (CFD-DSMC) strategy was employed to accurately resolve the cross-scale flow fields spanning from the continuum to the rarefied regime in the mass spectrometer. Subsequently, a multiphysics model integrating gas dynamics, electric fields, and ion trajectories was developed to achieve high-precision predictions of ion transport behavior.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>To validate the accuracy of the theoretical simulation, ion transmission efficiencies of acetone and toluene were experimentally measured using a homemade low-pressure photoionization time-of-flight mass spectrometer (LPPI-TOF-MS). The experimental results demonstrated a strong correlation with the simulation predictions, achieving a maximum Pearson correlation coefficient (<i>r</i>) of 0.96 for toluene and 0.90 for acetone in the radio-frequency-only quadrupole (RFQ) region, confirming the model's reliability.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This study provides a robust theoretical tool for elucidating ion transport mechanisms and guiding the optimization of ion optics in mass spectrometers.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148583235","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":"Mass-Spectrometry-Identified Quality Markers of Jingtong Granules Are Predicted to Engage Upregulated Neutrophil Granule Enzymes in Cervical Spondylotic Radiculopathy: An Integrative Machine-Learning and Molecular-Dynamics Study","authors":"Guangyi Yang,&nbsp;Changxiao Han,&nbsp;Hongtao Li,&nbsp;Lijie Chang,&nbsp;Wenlong Qiu,&nbsp;Jiacheng Zheng,&nbsp;Bochen Peng,&nbsp;Hanbin Liu,&nbsp;Xunlu Yin,&nbsp;Minshan Feng","doi":"10.1002/rcm.70145","DOIUrl":"10.1002/rcm.70145","url":null,"abstract":"&lt;div&gt;\u0000 \u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Rationale&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;Jingtong Granules is a clinically approved seven-herb formula for CSR, a condition in which radicular pain is sustained partly by inflammatory and immune processes, yet the immune-cellular state of CSR and the immune-level mechanism of the formula remain poorly defined.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Methods&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;Using peripheral-blood transcriptomes from GSE223227 (7 controls, 9 CSR, and 30 degenerative cervical myelopathy), we profiled nine immune lineages by signature scoring, prioritized CSR-associated features with six machine-learning methods under permutation-based specificity testing, localized signature genes on the Human Protein Atlas sorted immune-cell reference, and linked the immune program to mass-spectrometry-confirmed constituents of Jingtong Granules by network pharmacology, molecular docking, molecular dynamics, and MM-GBSA. Two-level Mendelian randomization against cervical-specific FinnGen endpoints tested genetic causal directionality.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Results&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;CSR blood showed a bidirectional immune-rebalancing pattern: reduced NK-cell activity (&lt;i&gt;p&lt;/i&gt; = 0.0164), increased M1-macrophage activity (&lt;i&gt;p&lt;/i&gt; = 0.0311), and directionally higher neutrophil and lower CD8-cytotoxic scores. The neutrophil/myeloid effector program discriminated CSR from controls (AUROC 0.79), exceeding a size-matched random-panel null, whereas a generic &lt;i&gt;NF-κB/TNF&lt;/i&gt; panel performed near chance; a composite rebalancing score reached a preliminary AUROC of 0.90 (95% CI 0.71–1.00). Network pharmacology nominated &lt;i&gt;MPO&lt;/i&gt; as a formula-associated immune target, whereas patient-upregulated, neutrophil-localized &lt;i&gt;ELANE&lt;/i&gt; and &lt;i&gt;CTSG&lt;/i&gt; were prioritized as structurally tractable granule enzymes. The validated quality markers nodakenin and paeoniflorin docked favorably to &lt;i&gt;ELANE&lt;/i&gt; and &lt;i&gt;CTSG&lt;/i&gt; and remained in their catalytic pockets during molecular dynamics, with MM-GBSA binding free energies of −16.0 to −33.5 kcal/mol. Both markers also showed favorable drug-like physicochemical profiles. Mendelian randomization gave no support for an upstream genetic-causal role of the myeloid-skewed immune state in cervical disk disorders or radiculopathy.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Conclusions&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;These exploratory, single-cohort findings characterize CSR peripheral blood as myeloid-skewed and cytotoxic-attenuated and nominate a traceable constituent-to-enzyme hypothesis in which mass-spectrometry-confirmed Jingtong Granules markers may engage patient-upregulated neutrophil granule enzymes, warranting replication and experimental validation.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148576201","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":"Compositional Profiling of Carbonaceous Deposits From Failed Automotive Spark Plugs by Pyrolysis-Gas Chromatography Mass Spectrometry","authors":"Zhongquan Li,&nbsp;Jiahui Cheng,&nbsp;Tingyuan Zheng,&nbsp;Bing Liu,&nbsp;Peijie Chen","doi":"10.1002/rcm.70140","DOIUrl":"10.1002/rcm.70140","url":null,"abstract":"&lt;div&gt;\u0000 \u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Rationale&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;Spark plug carbon deposits are closely related to ignition instability and engine malfunction. However, the detailed compositional profiles of deposits formed on failed spark plugs, especially their extractable and thermally releasable organic fractions, remain insufficiently characterized. In this study, carbonaceous deposits collected from failed spark plugs were investigated using pyrolysis-gas chromatography mass spectrometry (Py-GC–MS)-based compositional profiling.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Methods&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;Py-GC–MS was used as the core analytical method, together with scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDS) and GC–MS. The deposits showed clear heterogeneity in both morphology and composition. They mainly appeared as powder-like and block-like structures, with local fibrous features.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Results&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;SEM-EDS showed that the deposits were mainly composed of C and O, with minor amounts of Si, P, S, Ca, Fe, Ni, Cu, and Zn. Cu was locally enriched in the fibrous regions. GC–MS analysis of the solvent-extractable fraction showed that the organic components were mainly distributed in the C10-C20 and C20-C30 ranges. Small amounts of esters, alkenes, and polycyclic aromatic hydrocarbons were also detected. These results suggest that the deposits were not simply residues of unburned fuel. Py-GC–MS further indicated the presence of nonvolatile and thermally stable precursor materials. Under thermal desorption conditions, medium and high-carbon number alkanes were the major released products. Under high-temperature pyrolysis conditions, the main products were carbon dioxide, cyclic siloxanes, alkenes, and minor aromatic compounds. This suggests that the deposits contained highly transformed organic matter as well as silicon-containing components. Comparative combustion simulation experiments with gasoline and lubricating oil provided further evidence for deposit origin. Gasoline mainly produced aromatic and condensed products. Lubricating oil mainly generated cracked long-chain hydrocarbons and oxygenated degradation products.&lt;/p&gt;\u0000 &lt;/section&gt;\u0000 \u0000 &lt;section&gt;\u0000 \u0000 &lt;h3&gt; Conclusions&lt;/h3&gt;\u0000 \u0000 &lt;p&gt;Overall, spark plug carbon deposits may be formed through the combined deposition and thermal evolution of fuel combustion products, lubricant-derived degradation products, and possible gum-like intermediates under high-temperature service conditions. This study demonstrates the value of analytical pyrolysis in revealing the chemical nature of spark plug deposits and provides compositional evidence for the interpretation of their possible formati","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148547331","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":"Metabolic Profiling Using Gas Chromatography–Mass Spectrometry and Optimization of Light-Emitting Diodes for Callus Induction in Patchouli “Tapak Tuan” (Pogostemon cablin Benth.)","authors":"Essy Harnelly,&nbsp;Alya Munira,&nbsp;Ayyagari Ramlal,&nbsp;Sreeramanan Subramaniam,&nbsp;Khairan Khairan","doi":"10.1002/rcm.70137","DOIUrl":"https://doi.org/10.1002/rcm.70137","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Introduction</h3>\u0000 \u0000 <p>Patchouli is an aromatic medicinal plant. The essential oil from patchouli is widely used in the perfume and pharmaceutical industries. In vitro culture systems provide a sustainable platform for increasing biomass and secondary metabolite exploration; however, the role of light quality in regulating these responses in Tapak Tuan patchouli callus remains underexplored.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Objective</h3>\u0000 \u0000 <p>This study compared the effects of blue, red, and white light-emitting diodes (LEDs) with fluorescent light as the control on patchouli callus cultures.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>After 8 weeks, blue LEDs produced the highest callus fresh weight (7.34 ± 0.29) and promoted early organogenic responses, with shoot primordia observed in all explants, although complete plantlets were not obtained during the culture period. Red LED treatment showed the strongest qualitative flavonoid reaction based on phytochemical screening. Further GC–MS-based metabolite profiling, expressed as relative peak area (%), indicated that red LED-treated callus had the highest number of detected compounds, including several treatment-associated compounds, whereas blue LED-treated callus showed the presence of pogostone, a pharmacologically relevant metabolite. These results indicate that different light treatments, representing both spectral and PPFD differences, were associated with distinct callus growth responses and metabolite profiles in patchouli callus.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>The integration of qualitative phytochemical screening and descriptive GC–MS profiling provides preliminary insights into LED-associated variation in patchouli callus cultures and highlights the potential use of targeted lighting strategies for optimizing biomass production and metabolite profiling. Future studies using standardized PPFD, replicated GC–MS analysis, internal standards, and quantitative biochemical assays are needed to validate these findings and clarify the underlying mechanisms.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148533906","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":"From Precision Machining to Hybrid Microfabrication: A Review on Quadrupole and Ion Trap Mass Analyzer Manufacturing","authors":"Yukang Feng,&nbsp;Junpeng Zhang,&nbsp;Yingying Li,&nbsp;Lihong Liu,&nbsp;Bin He,&nbsp;Ligang Hu,&nbsp;Guibin Jiang","doi":"10.1002/rcm.70129","DOIUrl":"10.1002/rcm.70129","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>As quadrupole and ion trap mass analyzers are miniaturized toward millimeter scales, fabrication quality increasingly constrains analytical performance. Micrometer-scale deviations in electrode geometry, surface finish, and assembly alignment can introduce higher order multipole fields, thereby degrading resolution, sensitivity, and ion transmission. Conventional precision machining and sequential assembly therefore face increasing difficulty in simultaneously achieving field fidelity, geometric complexity, and scalable integration.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>This narrative review compares conventional subtractive manufacturing with four advanced routes: microelectromechanical systems (MEMS), low-temperature co-fired ceramics (LTCC), additive manufacturing (AM), and printed-circuit-board (PCB)-based architectures. A process–problem–performance framework is used to link each process to the error modes it mitigates or introduces and to the analytical performance affected.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>MEMS provides high planar registration but remains limited in forming true 3D electrode surfaces. LTCC reduces assembly burden and supports multilayer integration but is constrained by shrinkage and feature resolution. AM offers monolithic 3D freedom, although electrode-grade performance requires surface engineering, metallization, and control of dielectric and vacuum-related effects. PCB-based architectures enable rapid prototyping and field synthesis but usually lack field-critical geometric precision. Across these routes, no single technology simultaneously maximizes fabrication precision, geometric freedom, and scalable integration.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Hybrid manufacturing strategies that allocate field-critical, structural, interconnect, packaging, and calibration functions to complementary processes represent the most practical route toward reproducible next-generation quadrupole and ion trap mass analyzers. Future progress will depend on standardized comparisons of fabrication tolerance, surface quality, RF compatibility, material stability, and demonstrated analytical performance.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 18","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148534690","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":"LC–MS/MS-Based Phytochemical Characterization of Cakile maritima Methanol Extract and Its Photodynamic Anticancer Activity in Gastric Cancer Cells","authors":"Sercin Ozlem Caliskan,&nbsp;Metin Caliskan,&nbsp;Emine İncilay Torunoğlu,&nbsp;Alper Durmaz,&nbsp;Abidin Gümrükçüoğlu,&nbsp;Erdi Can Aytar","doi":"10.1002/rcm.70143","DOIUrl":"https://doi.org/10.1002/rcm.70143","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>In this study, the phytochemical composition, in vitro anticancer activity, photodynamic therapy (PDT) activity, and molecular interaction potential with carbonic anhydrase IX (CA IX) of <i>Cakile maritima</i> methanol extract were evaluated.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods and Results</h3>\u0000 \u0000 <p>LC–MS/MS analysis identified 11 compounds among 35 screened phytochemicals, with fumaric acid (13797.19 ppb), ferulic acid (771.37 ppb) and p-coumaric acid (601.95 ppb) accounting for approximately 97% of the total content. Molecular docking results demonstrated that sinapic acid (−6.13 kcal/mol) and quinic acid (−6.11 kcal/mol) exhibited the highest binding affinities toward CA IX. Cell culture studies revealed that LogIC₅₀ values differed significantly among cell lines (<i>p</i> &lt; 0.0001). PDT applied to the MKN-28 gastric cancer cell line significantly enhanced cytotoxicity compared with the control group, with the highest photodynamic efficacy observed under green-light irradiation (<i>p</i> &lt; 0.0001).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>These findings indicate that <i>C. maritima</i> methanol extract exhibits light-enhanced cytotoxicity in MKN-28 gastric cancer cells and warrant further investigation regarding its potential photosensitising properties.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 19","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148533905","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}