Rapid Communications in Mass Spectrometry最新文献

{"title":"Open-Source System Suitability: Mass Spectrometry Query Language Lab (MassQLab)","authors":"Heather L. Winter,&nbsp;Dylan Johnson,&nbsp;Alan K. Jarmusch","doi":"10.1002/rcm.10132","DOIUrl":"10.1002/rcm.10132","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Reproducible analytical instrumentation system performance is critical for mass spectrometry, particularly metabolomics, aptly named system suitability testing. We identified a need based on literature reports that stated only 2% of papers performed system suitability testing.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>We report MassQLab, built upon open-source, vendor-agnostic software called the mass spectrometry query language (MassQL). MassQL, implemented in MassQLab, provides freedom for researchers to choose their analyte/s, mass spectrometry system (including liquid chromatography—mass spectrometry), and metrics of performance.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>In this report, we describe the use of MassQLab, demonstrate the construction of the required MassQL query, common metrics of performance (i.e., extracted ion chromatograms), uncommon metrics (i.e., MS/MS product ion spectra), and discuss insights gained about performance—including issues requiring correction prior to sample analysis.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>MassQLab is a flexible solution for system suitability testing for mass spectrometry-based analytical measurements. Deficits in analytical performance, while unavoidable and rare, were noted prior to data collection and corrected. The open-source and adaptable nature of MassQLab will empower researchers and lead to improved implementation of system suitability testing.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10132","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144929609","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":"Integrative Analysis of Curcuma kwangsiensis Reveals Markers for Distinguishing Rhizome, Radix, and Non-Medicinal Parts via LDA-Based Classification","authors":"Qing Yang,&nbsp;Jiansang Wulu,&nbsp;Min He,&nbsp;Ming Chen,&nbsp;Zichang Liang,&nbsp;Juan Li,&nbsp;Jing Li,&nbsp;Zhifeng Zhang,&nbsp;Jianguang Zhang","doi":"10.1002/rcm.10105","DOIUrl":"10.1002/rcm.10105","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Introduction</h3>\u0000 \u0000 <p><i>Curcumae Rhizoma</i> (Ezhu) and <i>Curcumae Radix</i> (Yujin) are both derived from <i>Curcuma kwangsiensis</i> (CK), an important species in the Zingiberaceae family. They have different clinical applications in traditional Chinese medicine (TCM): The rhizome is mainly used for antitumor treatments, whereas the radix is known for antidepressant and cholagogic effects, both officially listed in the Chinese Pharmacopoeia. However, non-medicinal parts such as the aerial portions and fibrous roots are sometimes mixed in, leading to confusion in clinical formulation use.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Objective</h3>\u0000 \u0000 <p>This study aimed to analyze different parts of CK, including its rhizome (RHCK), radix (RACK), aerial parts (APCK), and fibrous root (FRCK) using inductively coupled plasma mass spectrometry (ICP-MS), ultra-high-performance liquid chromatography-quadrupole-electrostatic field Orbitrap high-resolution mass spectrometry (UPLC-Q Exactive Orbitrap-MS), and gas chromatography–mass spectrometry (GC-MS).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methodology</h3>\u0000 \u0000 <p>These mineral elements of different parts in CK were determined by using (ICP-MS). The nonvolatile metabolites were achieved by UPLC-Q Exactive Orbitrap-MS, and the volatile metabolites were identified by GC-MS. Statistical analysis, including principal component analysis (PCA) and orthogonal partial least-squares discriminate analysis (OPLS-DA) model, was used to classify different parts of CK based on mineral elements and metabolites. Furthermore, linear discriminant analysis (LDA) was utilized to effectively differentiate the different parts by analyzing the data.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>In total, 26 mineral elements, 738 nonvolatile metabolites, and 87 volatile metabolites were identified. Multivariate analysis revealed 14 mineral elements, 390 nonvolatile metabolites, and 42 volatile metabolites (VIP &gt; 1) as potential markers. A LDA model effectively distinguished the four plant parts, achieving a classification accuracy of 95%.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>These findings offer a practical strategy for accurately identifying and differentiating medicinal from non-medicinal parts of CK, reducing misidentification in TCM formulations and enhancing clinical safety.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144927509","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":"Molecular Organ Lysate Imprinting: For Precision Recognition and Analysis of Organ-Derived Proteins","authors":"Jatinderpal K. Sandhu,&nbsp;Donald J. L. Jones,&nbsp;Colleen B. Maxwell,&nbsp;Charlotte L. Gwinnell,&nbsp;Geraldine Williams,&nbsp;Thong Huy Cao,&nbsp;Paulene A. Quinn,&nbsp;Leong L. Ng","doi":"10.1002/rcm.10125","DOIUrl":"10.1002/rcm.10125","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Molecular imprinting has emerged as a promising strategy to create custom imprints for precision recognition of proteins. This study proposes using dopamine polymers as a novel approach to enhance the retrieval of proteins from human plasma. Dopamine polymers possess adhesive properties due to their ability to form hydrophobic interactions, π-π, hydrogen bonding and van der Waals forces with various substrates; in this study, we have leveraged these adhesive properties to capture and retrieve proteins from complex biological samples.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>We imprinted proteins derived from mouse heart lysate and evaluated the performance of the resulting molecularly imprinted polymer for retrieval of the human protein cardiovascular disease plasma samples.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Our results demonstrated the retrieval of troponin T, fatty acid–binding protein, creatine kinase, lactate dehydrogenase, and myosin-binding protein C. This novel application of dopamine polymers in protein enrichment and analysis facilitates the discovery of novel biomarkers from complex matrices, such as plasma, and promotes deeper insights into complex biological processes.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This method, characterized by high specificity and stability, offers a new approach for the detection of low abundant proteins and provides a scientific basis for the future development of new diagnostic tools and personalized medical strategies.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10125","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144910037","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":"Stable Nitrogen Isotope Analysis of Amino Acids by Orbitrap Mass Spectrometry: Application for Extraterrestrial Samples","authors":"O. M. McIntosh,&nbsp;A. A. Baczynski,&nbsp;M. Matney,&nbsp;H. L. McLain,&nbsp;K. K. Farnsworth,&nbsp;J. P. Dworkin,&nbsp;D. P. Glavin,&nbsp;J. E. Elsila,&nbsp;H. Xie,&nbsp;K. H. Freeman","doi":"10.1002/rcm.10127","DOIUrl":"10.1002/rcm.10127","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Background</h3>\u0000 \u0000 <p>Obtaining isotopic data on soluble organic compounds, such as amino acids, in extraterrestrial samples is crucial for understanding their origins, prebiotic chemistry, and potential contamination. Conventional GC-IRMS requires grams of material to measure isotopic compositions, limiting the analysis of low-concentration organics in meteorites and other astromaterials. We present an Orbitrap-based method optimized for nitrogen isotopic analysis of amino acids.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>This method determines δ¹⁵N values for picomole quantities (&lt; 150 pmol) with 3‰–8‰ precision and accuracy within 2‰ compared with elemental analysis. Our approach was validated using amino acid enantiomer standards and a CM2 Murchison meteorite sample. The Murchison results demonstrate that comparable precision can be achieved on analytes extracted from a total sample size representing less than 7% of the mass previously required for CSIA analysis of the same meteorite.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Significance</h3>\u0000 \u0000 <p>These results highlight the potential of Orbitrap mass spectrometry for δ¹⁵N measurements with less material and lower analyte concentrations. This technique improves our ability to trace the origins and synthetic pathways of amino acids, providing valuable insights into prebiotic chemistry and possible abiotic mechanisms for organic compound formation in primitive solar system materials. Nitrogen isotopes serve as a powerful tool for distinguishing biological from non-biological sources, aiding in the identification of contamination in meteoritic samples and improving the reliability of analyses involving rare extraterrestrial materials.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10127","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897824","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":"Identification of In Vivo Components in Shiduqing Capsule Using High-Resolution Mass Spectrometry and Network Pharmacology-Based Analysis of Its Therapeutic Mechanisms Against Eczema","authors":"Shuang Li,&nbsp;Zhiyan Liu,&nbsp;Ping Sun,&nbsp;Ayiguzhali Yusun,&nbsp;Mo Sun,&nbsp;Chun Bao,&nbsp;Chenning Zhang","doi":"10.1002/rcm.10128","DOIUrl":"10.1002/rcm.10128","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Shiduqing Capsule, a clinically widely used Chinese patent medicine, is indicated for skin itching, dryness, and desquamation caused by blood deficiency with wind-dryness syndrome. However, the tissue distribution characteristics of its active components in vivo and its pharmacological mechanisms in treating eczema remain unclear. This study aims to identify the bioactive components of Shiduqing Capsule, characterize their in vivo tissue distribution patterns, and subsequently elucidate the underlying therapeutic mechanisms against eczema based on these findings.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>This study employed high-resolution mass spectrometry (HRMS) coupled with the Global Natural Products Social Molecular Networking (GNPS) platform to comprehensively identify the chemical constituents of Shiduqing Capsule in vivo, while simultaneously characterizing their tissue-specific distribution profiles. Furthermore, network pharmacology approaches were utilized to systematically investigate the therapeutic mechanisms underlying Shiduqing Capsule's efficacy against eczema.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Through systematic chemical composition analysis, 51 blood-absorbed components were identified in Shiduqing Capsule using advanced analytical techniques. Further GNPS-assisted mass spectrometry analysis revealed its predominant composition of flavonoids, lipids, terpenoids, and phenylpropanoids. Network pharmacology investigation demonstrated that the capsule's anti-eczema effects are mediated through critical pathways including TNF signaling and Th17 cell differentiation.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>This study systematically analyzed the in vivo components of Shiduqing Capsule and their tissue distribution characteristics, while elucidating the underlying mechanisms of its therapeutic effects against eczema.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144905569","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":"An Innovative Inter-Spectral Distance-Based Approach to Analyzing MALDI-TOF Mass Spectra of Closely Related Microbial Species","authors":"Xutao Hu,&nbsp;Wen Liu,&nbsp;Xiaopeng Xing","doi":"10.1002/rcm.10121","DOIUrl":"10.1002/rcm.10121","url":null,"abstract":"<div>\u0000 \u0000 <p><b>Rationale:</b> Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a highly efficient technique for microbial identification; however, the accuracy has always been a problem when identifying closely related microbial species. Improving spectral data identification algorithms is one of the key approaches to enhancing the discriminatory power and reliability of identification for the closely related species.</p>\u0000 <p><b>Methods:</b> This study develops a dimensionality reduction method based on inter-spectral distance computation for the analysis of MALDI-TOF MS data. The method comprises four steps: average spectrum construction, peak matching, distance calculation, and spectral vectorization. We applied this method, along with the conventional principal component analysis (PCA) method, to a MALDI-TOF MS dataset of closely related microbial species. Binary classification experiments were conducted to compare the classification performance of the two methods, and multiclass classification experiments were conducted to evaluate the feasibility of the proposed approach for database construction.</p>\u0000 <p><b>Results:</b> A systematic evaluation of the newly proposed distance-based method was conducted using MALDI-TOF mass spectral data from five pairs of closely related microbial species. The results indicated that this method effectively extracted spectral features and enabled accurate classification. It outperformed the conventional PCA method, and even other more sophisticated methods like LDA and t-SNE, in terms of both clustering performance and identification accuracy.</p>\u0000 <p><b>Conclusions:</b> The findings suggest that the newly proposed distance-based dimensionality reduction algorithm (DbDRA) largely enhances the reliability of identifying closely related microbial species, highlighting its potential applicability in microbial identification using MALDI-TOF mass spectroscopy.</p>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144894456","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":"Assessment of Nitrosamine Impurities in Lurasidone Hydrochloride Using APCI-LC–MS/MS in MRM Mode for Regulatory Compliance and Stability Evaluation","authors":"Anant D. Yadav,&nbsp;Ashish C. Alaspure,&nbsp;Pinal S. Bhavsar,&nbsp;Sandesh R. Lodha,&nbsp;Anil H. Gore","doi":"10.1002/rcm.10126","DOIUrl":"10.1002/rcm.10126","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Nitrosamine impurities, such as N-nitroso diethylamine (NDEA), N-nitroso dimethylamine (NDMA), and 1-nitroso piperazine (1-NP), have raised serious health concerns due to their carcinogenic and mutagenic properties. The pharmaceutical industry faces increasing regulatory pressure to monitor these compounds at trace levels. This study addresses the need for a robust analytical method to ensure the safety of lurasidone hydrochloride (LUR), an antipsychotic drug.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>A sensitive and specific LC–MS/MS method was developed using atmospheric pressure chemical ionization (APCI) in positive mode and operated in multiple reaction monitoring (MRM). Chromatographic separation was performed on a Sapphirus C18 HP-classic column under gradient elution, with 0.1% formic acid in water and methanol as the mobile phase. Detection was carried out using an Agilent 6470B triple-quadrupole mass spectrometer.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The method demonstrated excellent linearity (regression coefficient &gt; 0.999) across a range extending to 200% of the specified limit. Limits of detection and quantitation were suitable for trace-level analysis. Accuracy was confirmed through recovery studies, with results ranging between 80 and 120%. The method met ICH Q2 (R2) validation criteria, ensuring reliability for regulatory use.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The developed APCI-LC–MS/MS method provides accurate and reproducible quantification of NDEA, NDMA, and 1-NP in lurasidone hydrochloride. Its sensitivity and compliance with regulatory standards make it suitable for routine quality control and stability testing of nitrosamine impurities in lurasidone hydrochloride drug substance.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 23","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144894455","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":"Synthesis and In Vitro Metabolic Profiling of the Selective Androgen Receptor Modulator (SARM) LY305","authors":"Giorgi Kobidze,&nbsp;Tristan Möller,&nbsp;Hui-Chung Wen,&nbsp;Francesco Paolo Busardò,&nbsp;Mario Thevis","doi":"10.1002/rcm.10124","DOIUrl":"10.1002/rcm.10124","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>2-Chloro-4-[[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile (LY305) is a transdermal selective androgen receptor modulator (SARM) that has been under development as a potential therapeutic for conditions involving muscle wasting, osteoporosis, or hypogonadism. Due to its proven anabolic effects, its potential (and illicit) use in sport must be taken into consideration, necessitating information on its biotransformation for the implementation of adequate target analytes into routine doping control analytical procedures. In this study, the synthesis of LY305 and in vitro-derived metabolites of the SARM are described.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>LY305 was synthesized by a Buchwald–Hartwig amination using 2-chloro-4-iodo-3-methylbenzonitrile and (1<i>R</i>,2<i>R</i>)-2-amino-1-methyl-cyclopentanol. The in vitro metabolism experiments were conducted using human liver microsomes (HLM) and the S9 fraction to allow for studying phase-I and phase-II biotransformations. For the detection and separation of LY305 and its metabolites, liquid chromatography–high-resolution tandem mass spectrometry was used.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Overall, 18 metabolites were detected, nine of which were identified as phase-I metabolites and an additional nine were attributed to phase-II conjugates. Metabolic reactions were as follows: hydroxylation, dehydrogenation, oxidation, oxidation and hydroxylation, <i>O-</i>glucuronidation, hydroxylation with subsequent glucuronidation, and bis-hydroxylation with subsequent glucuronidation.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The transdermal SARM LY305 was successfully synthesized and subjected to in vitro metabolic studies, yielding chromatographic and mass spectral data that support improving comprehensive anti-doping tests. To the best of our knowledge, no published experimental data exist that report on the in vitro metabolic profile of LY305, a substance that might undergo further (pre)clinical evaluation.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 22","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10124","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843669","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":"Zinc/Silver-Based Hydrogen Sulfide Trapping as an Alternative to Cadmium for Sulfur Stable Isotope Analysis","authors":"David Ure,&nbsp;Karlynne R. Dominato,&nbsp;Meagan L. Beaton,&nbsp;Scott O. C. Mundle","doi":"10.1002/rcm.10120","DOIUrl":"10.1002/rcm.10120","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Hydrogen sulfide (H₂S) sulfur stable isotope ratio (δ³⁴S) analyses use cadmium (Cd) or zinc (Zn) solutions; however, Cd is toxic, and Zn does not display an obvious change in color at low molar H₂S inputs. This study (i) developed a non-toxic, colorimetric mixed zinc/silver (Zn/Ag)-based method and (ii) evaluated the minimum H₂S input required for analysis.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Gaseous H₂S was trapped using the Cd- and Zn/Ag-based methods and converted to solid silver sulfide (Ag₂S). δ³⁴S stable isotope analysis was completed using elemental analysis–isotope ratio mass spectrometry (EA-IRMS).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>H₂S, from 8.4 × 10⁻⁶ mol up to 1.0 × 10⁻⁴ mol, was trapped using the Cd- and Zn/Ag-based methods. The Zn/Ag-based method retained stable δ³⁴S values at lower molar inputs than the Cd-based method. Environmental sampling had a usable detection range of approximately 4.1 × 10⁻⁴–7.8 × 10⁻¹ mol/m³ (~10–19 000 ppm). The mean δ³⁴S difference between methods was −0.1‰, ranging from −3.0‰ to +3.1‰, with 23 out of 27 samples falling within ±1.2‰.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The Zn/Ag-based method produced δ³⁴S values comparable with the Cd-based method and maintained accuracy with lower molar inputs of H₂S. The minimum molar input for analysis is ~8.4 × 10⁻⁶ mol. The Zn/Ag method is safer for human health and the environment, and a suitable alternative to Cd for H₂S trapping and subsequent δ³⁴S determination by IRMS.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 22","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10120","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843655","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":"Simulation and Development of an Ion Funnel for Miniature Mass Spectrometers","authors":"Zhongyao Zhang,&nbsp;Baoqiang Li,&nbsp;Lin Zhang,&nbsp;Cuiping Li","doi":"10.1002/rcm.10123","DOIUrl":"10.1002/rcm.10123","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Miniature mass spectrometers are increasingly used in portable and on-site analysis due to their compact size and light weight. However, miniaturization, higher operating gas pressure, and complex airflow movement have significantly reduced ion transmission efficiency. Conventional ion guide devices are unsuitable under these conditions, severely limiting the performance and practicality of such spectrometers. Thus, developing a novel ion guiding device to improve ion transmission and detection performance is urgently needed.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>We designed a miniature ion funnel with isobaric, tapered, and widened exit electrodes. Using SIMION and AXSIM software, we systematically studied the impact of radio frequency (RF) and direct current (DC) voltages, radial displacement, ion kinetic energy, mass-to-charge ratios, and gas pressure on ion transmission. Additionally, computational fluid dynamics simulations with Virtual Device software visualized temperature, velocity, and pressure fields in subvacuum regions.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Based on simulation results, we precisely manufactured the ion funnel, measuring 6.2 × 3.4 × 3.2 cm³ and weighing 51.4 g. Tested on a continuous atmospheric pressure interface (CAPI) miniature mass spectrometer at 5.34 Torr, the new ion funnel showed a 44.3% increase in intensity compared to the previous version, validating its effectiveness.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The proposed ion funnel enables efficient ion focusing and transfer, overcoming miniaturization-related limitations. It enhances the detection performance of miniature mass spectrometers, offering a practical solution with important implications for the development of portable analytical instruments.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 22","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832418","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}