Rapid Communications in Mass Spectrometry最新文献

{"title":"Onsite Analysis of Complex Samples Using Miniature Mass Spectrometry With Direct Sampling and Ionization","authors":"Yiming Zou,&nbsp;Xuan Liu,&nbsp;Linzhi Du,&nbsp;Jiafan Yang,&nbsp;Zhishuang Liu,&nbsp;Zicheng Yuan,&nbsp;Lina Liu,&nbsp;Bicheng Yang,&nbsp;Zhe Shao,&nbsp;Igor A. Popov,&nbsp;Bin Hu","doi":"10.1002/rcm.10056","DOIUrl":"https://doi.org/10.1002/rcm.10056","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Miniature mass spectrometry (mini-MS) is a powerful method for onsite analysis of complex. The onsite sampling/ionization approach is critical in rapid screening of complex samples by mini-MS in field environments. Therefore, new development of direct ionization/sampling method coupled with mini-MS is needed for direct sample analysis.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>A direct sampling/ionization kit using wooden tip or plant tissue was developed to couple with mini-MS for onsite analysis of complex samples. Targeted analytes were detected and identified by mini-MS/MS.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Various raw samples including powders, liquid, and viscous samples were directly sampled and ionized using wooden tip. Direct pesticide detection in juice was used to further evaluate the analytical performances of the newly developed wooden tip kit, obtaining excellent sensitivity, reproducibility, and quantitation capacity for direct sample analysis. Furthermore, direct tissue analysis was also successful demonstrated by direct ionization, showing a fast, simple, and efficient method for onsite analysis of biological tissue.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Overall, our data showed that this direct sampling/ionization method using wooden tip or plant tissue coupled with mini-MS approach is simple, fast, and sensitive method for onsite direct analysis of raw samples in field environments.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 16","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925918","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":"Revisiting In-Gas Transformations of Quinate Conjugates Through the LC-qTOF-MS and Molecular Networking Topology","authors":"Nakisani Babra Moyo,&nbsp;Ntakadzeni Edwin Madala","doi":"10.1002/rcm.10068","DOIUrl":"https://doi.org/10.1002/rcm.10068","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The emergence of computational metabolomics tools such as molecular networking and machine learning–based platforms like SIRIUS has significantly advanced MS-based metabolomics studies. These tools enable rapid metabolite identification by deciphering complex fragmentation patterns and chemical transformations occurring during mass spectrometry analysis.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>In this study, methanolic extracts of <i>Viscum combreticola</i>, a plant recently shown to contain a rich composition of cinnamic acid–quinates conjugates, were analyzed using the LC-qTOF-MS in combination with a molecular networking approach to explore the chemical complexity of quinate conjugates.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Findings of this study through molecular networking topology revealed that quinic acid undergoes a series of in-gas chemical transformations, including dehydration (–H₂O) and decarboxylation (–CO₂). These transformations yield unique product ions, some of which are associated with other organic acids, such as isocitric acid. By employing the MS² search option on the GNPS2 platform, molecules exhibiting these product ions were readily identified in this study. Therefore, highlighting the potential of this function in GNPS2 for tracing unique fragmentation patterns synonymous with certain molecules that can be used to confirm their identity visually.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>The MS² search function can aid in the discovery of new compounds containing the diagnostic ions of interest that could otherwise be easily missed with manual annotation. This study presents a potential validation approach of looking at multiple product ions to confirm the identity of a molecule, particularly in the presence of other compounds with similar fragmentation pathways or shared fragment ions.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 16","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10068","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925919","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":"Multi-Plug Filtration Purification Combined With Gas Chromatography–Tandem Mass Spectrometry for the Detection of 107 Pesticides in Livestock and Poultry Meat","authors":"Xuwei Guo,&nbsp;Youzhi Su,&nbsp;Jun Liu,&nbsp;Hongqin Lei,&nbsp;Fang Li,&nbsp;Yanmei Li","doi":"10.1002/rcm.10062","DOIUrl":"https://doi.org/10.1002/rcm.10062","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>With the global rise in foodborne diseases, excessive pesticide residues in livestock and poultry meat have emerged as a critical food safety issue. China is a large consumer of livestock and poultry meat, and the traditional national method standard can only detect a few or one type of pesticide in these meats. Establishing a method for the simultaneous detection of multiple types of pesticides in these meats can effectively protect people's health and safety.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>The extraction process was done using acetonitrile direct extraction, followed by clean-up through multi-plug filtration. Separation was achieved using gas chromatography on an HP-5MS capillary column with a programmed temperature gradient, and detection was performed via mass spectrometry in multiple reaction monitoring modes.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The linear ranges of 107 analytes exhibited strong correlation coefficients, all exceeding 0.9901, with limits of quantification spanning from 1.0 to 15.2 μg/kg. The average recoveries, inter-day relative standard deviations (inter-day RSDs), and intra-day relative standard deviations (intra-day RSDs) of the 94 analytes ranged from 70.2% to 120.0%, 4.0% to 16.0%, and 4.5% to 16.8%, respectively, at the three different spiked levels.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>A multi-plug filtration purification combined with gas chromatography-tandem mass spectrometry method was successfully applied to the detection of 107 pesticide residues in livestock and poultry meat, which is simple, reliable, and reproducible. It provides a comprehensive solution for the detection of pesticide residues in livestock and poultry meat.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 16","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925917","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":"Optimization of MALDI Matrices and Their Preparation for the MALDI-TOF MS Analysis of Oligonucleotides","authors":"Susanne Dietrich,&nbsp;Anja Dollinger,&nbsp;Andreas Wieser,&nbsp;Christoph Haisch","doi":"10.1002/rcm.10061","DOIUrl":"https://doi.org/10.1002/rcm.10061","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The reproducibility of the analysis of oligonucleotides using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) remains a significant challenge. This is mainly attributed to factors such as the choice and application of the matrix, as well as the inhomogeneity of the sample spots. Although previous studies have explored various parameters, such as ionic and sugar-based matrices, and different spotting methods, none have comprehensively integrated these factors into a unified approach.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Various matrices for the analysis of oligonucleotides and the effects of diverse variables, including different matrices, solvent compositions, additives, and application techniques, on the analytical performance of these matrices were investigated. Mass spectrometry analysis was conducted by a MALDI-TOF MS in linear negative mode.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Our research systematically evaluates the combined effects of diverse variables to enhance the analytical performance of MALDI-TOF MS in oligonucleotide analysis. We focused on the standard deviation of mass-to-charge ratios and the signal-to-noise (S/N) ratios. Out of 48 samples, only 19 met the S/N criteria, which is that the signals must be detectable over the whole mass range of interest (4–10 kDa).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The ionic matrix 6-aza-2-thiothymine (ATT) with 1-methylimidazole resulted consistently in a reduced standard deviation and achieved high mass precisions. Additionally, we observed that the S/N ratios and mass precision of 3-hydroxypicolinic acid (3-HPA) varied significantly depending on the solvent composition and the presence of additives.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 15","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10061","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143919453","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":"Integrating Intestinal Biotransformation and Gut Microbiota to Uncover the Influence of Tongfu Xiexia Decoction in Rats With Constipation","authors":"Yu-Han Piao,&nbsp;Jing Luo,&nbsp;Tao Ren,&nbsp;Ao Wang,&nbsp;Yu-Yun Li,&nbsp;Li-Jia Pan,&nbsp;Xin-Ze Li,&nbsp;Fang-Tong Li,&nbsp;Yu-Wen Bao,&nbsp;Fei Zheng,&nbsp;Hao Yue","doi":"10.1002/rcm.10065","DOIUrl":"https://doi.org/10.1002/rcm.10065","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Tongfu Xiexia Decoction (TFXXD), a traditional Chinese medicine formula, comprises six herbs: semen raphani, Rehmannia glutinosa, rhubarb, <i>Magnolia officinalis</i>, trifoliate orange, and mirabilite. The aim of this study was to investigate the effects of TFXXD on its biotransformation and microbial abundance in the gut of constipated rats.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) was used to analyze the biotransformation of TFXXD in the colonic contents, and 16S rRNA sequencing was used to assess the structure and diversity of the gut microbiota across various rat groups.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>We identified and analyzed 25 biotransformations of TFXXD in the colonic contents, which undergo various reactions such as deglycosylation, ring opening, and hydration in intestinal bacteria, with 14 originating from trifoliate orange, six from rhubarb, three from Rehmannia glutinosa, one from Semen raphani, and one from <i>M. officinalis</i>. 16S rRNA analysis revealed that TFXXD significantly enhanced the relative abundance of beneficial bacteria, such as <i>Lactobacillus</i> and <i>Bacteroides</i> while significantly reducing <i>Oscillospira</i> abundance. Moreover, TFXXD considerably affected the carbohydrate and amino acid metabolism. Correlation analyses revealed a significant negative correlation between <i>Bacteroides</i> and ACH (Acetylcholine), NO (nitric oxide), D-Lac (D-Lactate), IL-6 (Interleukin-6), TNF-α (tumor necrosis factor-α), and IL-1β (Interleukin-1β) and a significant positive correlation between <i>Bacteroides</i>, hesperetin, and rhein.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>In conclusion, our findings indicate that TFXXD can modulate the structure and diversity of the gut microbiota and enhance the metabolic balance in constipated rats.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 15","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143914260","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 Aerobic Salivary Microorganisms in Patients With Oral Squamous Cell Carcinoma Using MALDI-TOF MS: Preliminary Findings From a Pilot Study","authors":"Milena da Silva Moreira,&nbsp;Giovanna Schmitz,&nbsp;Mariana de Sá Alves,&nbsp;Maria Anita Mendes,&nbsp;Mônica Ghislaine Oliveira Alves,&nbsp;Levy Anderson César Alves,&nbsp;Meriellen Dias,&nbsp;Celso Muller Bandeira,&nbsp;Gabrielle Luana Jimenez Teodoro Nepomuceno,&nbsp;Herculano da Silva Martinho,&nbsp;Janete Dias Almeida","doi":"10.1002/rcm.10063","DOIUrl":"https://doi.org/10.1002/rcm.10063","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Oral squamous cell carcinoma (OSCC) is a multifactorial disease, and emerging evidence links the oral microbiome to its development. Rapid, noninvasive identification of salivary microorganisms may offer novel diagnostic and prognostic insights into oral cancer.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Salivary microbiota from OSCC patients and healthy individuals were analyzed using MALDI Biotyper. Saliva samples were cultured, and microbial identification was performed based on protein spectral profiles using an UltrafleXtreme MALDI-TOF mass spectrometer.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Thirteen OSCC patients (mean age 55 ± 11 years; 69% male) and nineteen healthy controls (mean age 55 ± 10 years; 79% male) were analyzed. Distinct microbial profiles were observed in OSCC patients, including pathogenic species previously associated with carcinogenesis, suggesting potential biomarkers for oral cancer.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The MALDI Biotyper is an effective, noninvasive tool for identifying salivary microbiota. Its application may support early diagnosis and prognosis of OSCC, reinforcing the significance of the oral microbiome in cancer etiology.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 15","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10063","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905096","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":"Determination of Mineral Element Concentrations in Plasma Samples and Their Correlation to HIV/AIDS","authors":"Long-Hua Zhou,&nbsp;Chang-Hua Feng,&nbsp;Xin-Chen Lin,&nbsp;Wei-Hua Huang,&nbsp;Yue Wu,&nbsp;Yong-Jiu Jin,&nbsp;Yang-Yun Zheng,&nbsp;Shuang-Li Guo,&nbsp;Xiang Xia,&nbsp;Wei-Hua Wang,&nbsp;Xiao-Tong Qi,&nbsp;Hui Li","doi":"10.1002/rcm.10060","DOIUrl":"https://doi.org/10.1002/rcm.10060","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The main purpose of this study was to contribute to the development of new strategies for prevention and management, ultimately improving the diagnosis, treatment, and overall well-being of affected individuals and communities.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Plasma samples were collected from 120 HIV-positive individuals and 120 healthy controls. The concentrations of the elements were determined by ICP-MS and ICP-OES. Statistical analysis was performed with the Kolmogorov–Smirnov normality test, the Mann–Whitney <i>U</i> test and the Spearman's rank correlation test.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The study found that HIV/AIDS patients had lower concentrations of Na, Mg, Ca, Fe, Zn, Se, Rb, and Sr compared to the healthy group (<i>p</i> = 0.000 &lt; 0.05). The concentration of I was also lower in HIV/AIDS patients (<i>p</i> = 0.025 &lt; 0.05). However, there was no significant difference in Cu concentrations between the two groups (<i>p</i> = 0.810 &gt; 0.05). HIV/AIDS patients had higher concentrations of Ba (<i>p</i> = 0.000 &lt; 0.05). Significant positive correlations were observed between several element pairs in HIV/AIDS patients, including Na-Ca, Na-Se, Mg-Ca, Mg-Zn, Mg-Sr, Ca-Zn, Ca-Se, Ca-Sr, Fe-Rb, and Sr-Ba at level 0.01, and Na-Zn, Mg-Rb, Mg-Ba, Ca-Ba, and Fe-I at level 0.05. Negative correlations were found between Na-I, Ca-I, Fe-Cu, and Cu-Rb concentrations in HIV/AIDS patients.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>In summary, by identifying and addressing imbalances or deficiencies in mineral elements, healthcare providers can optimize patient care and support better health outcomes. This research may lead to the development of interventions targeting mineral imbalances and optimizing immune function in individuals with HIV/AIDS.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 15","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904932","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":"Electron Transfer Dissociation and Synchrotron UV Photodissociation of Trapped Sodiated Ions Produced From Polyacrylates by Electrospray Ionization.","authors":"Inès Aloui, Véronique Legros, Cédric Przybylski, Matthieu Bourderioux, Alexandre Giuliani, William Buchmann","doi":"10.1002/rcm.10059","DOIUrl":"https://doi.org/10.1002/rcm.10059","url":null,"abstract":"<p><strong>Rationale: </strong>Poly (acrylates)s can be distinguished from one another by the nature of their side chains. From model poly (acrylates)s, the purpose of this work was to evaluate the contribution of alternative activation techniques to the collisional activation, based on ion-ion and ion-photon interactions.</p><p><strong>Methods: </strong>Sodiated poly (acrylate)s produced by electrospray were isolated in an ion trap and then submitted to interactions with fluoranthene anions (by electron transfer dissociation) or with UV photons (from a synchrotron UV source, 16 eV) to induce gas-phase decomposition. The resulting fragmentation pathways were investigated and compared with collision-induced dissociation (CID). Ion mobility spectrometry was coupled to UV photoactivation for some isobaric species.</p><p><strong>Results: </strong>Electron capture from fluoranthene anions or electron loss under synchrotron UV irradiation induced dissociation that differs from CID. A coupling of ion mobility with UV photoactivation allowed the fragmentation of two isobaric species separately.</p><p><strong>Conclusions: </strong>The decomposition products (ETD, UV-PD) stand out from those coming from classical low-energy CID by inducing specific side-chain fragmentations. These particular fragmentations make them easy to identify.</p>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":" ","pages":"e10059"},"PeriodicalIF":1.8,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143954712","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":"Exploring the Bioactive Constituents and Therapeutic Mechanisms of Sanhuang Xiexin Decoction in Hypercholesterolemia Treatment Using UHPLC-Q-Orbitrap-MS/MS Integrated With Metabolomics and Network Pharmacology","authors":"Yatong Zhu,&nbsp;Xinlei Yang,&nbsp;Furong Wang,&nbsp;Mengting Zhao,&nbsp;Junli Hong,&nbsp;Jun Zhang,&nbsp;Lin Wang","doi":"10.1002/rcm.10035","DOIUrl":"https://doi.org/10.1002/rcm.10035","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rational</h3>\u0000 \u0000 <p>Sanhuang Xiexin Decoction (SHD), a traditional Chinese medicine, has been used widely in East Asian Countries for hundreds of years and recent studies have implied its lipid-lowering and cardiovascular protective effects. However, the active components and potential mechanism of SHD in treating hypercholesterolemia (HC) remain unclear.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>UHPLC-Q-Orbitrap-MS/MS was used to annotate the components in SHD, and then, the efficacy of SHD in alleviating HC was demonstrated <i>in vitro</i> and <i>in vivo</i>. Subsequently, metabolomics by UHPLC-Q-Orbitrap-MS/MS was employed to identify discriminative metabolites and metabolic pathways involved in SHD against HC. Network pharmacology was applied to explore the potential bioactive components. Then, the integrated approach was proposed to elucidate the possible targets and mechanisms. Finally, molecular docking was operated to validate the potential targets and bioactive components.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>A total of 180 chemical components were identified in SHD, and 18 prototype components were confirmed <i>in vivo</i>. Metabolomics study revealed 12 metabolites, and five metabolic pathways were associated with the efficacy of SHD. Network pharmacology analysis further identified 18 active compounds and 107 targets. Finally, the integrated approach suggested that SHD exerts its protective effects against HC by modulating purine and glycerophospholipid metabolism through the regulation of key targets, including phosphodiesterase 5 (PDE5), acetylcholinesterase (ACHE), phospholipase A2 group VII (PLA2G7), and xanthine dehydrogenase (XDH).</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>SHD exerts its therapeutic effects on HC through multiple targets and multiple mechanisms. This study lays the groundwork for the clinical application of SHD in the treatment of HC and paves the way for further exploration of its underlying mechanisms.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 15","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904873","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":"Carbon and Nitrogen Isotope Composition of Australasian Hair and Fingernails in a Global Context","authors":"Michael I. Bird,&nbsp;Maria Box,&nbsp;Rainy Comley,&nbsp;Matthew Leavesley,&nbsp;Naomi O'Dea,&nbsp;Christopher M. Wurster","doi":"10.1002/rcm.10058","DOIUrl":"https://doi.org/10.1002/rcm.10058","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The stable carbon (<i>δ</i>¹³C) and nitrogen (<i>δ</i>¹⁵N) isotope composition of human bone and tissues encodes dietary information that in some circumstances can be attributed to geographical location. While there is a global dataset amounting to &gt; 4000 samples, limited data are available for the Australasian region.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>One hundred and seven nail/hair samples were detergent and solvent pretreated and analysed for <i>δ</i>¹³C and <i>δ</i>¹⁵N composition, sourced from individuals normally residing in southern Australia (temperate), northern Australia (seasonal tropical) and urban Papua New Guinea (tropical). Isotope values for nails were converted to hair keratin equivalent values using accepted fractionation factors. The results were compared with each other, and with the global datasets available from Europe, Asia, Africa and the Americas.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The southern Australian and Papua New Guinean data exhibit a similar mean and range to each other for both <i>δ</i>¹³C and <i>δ</i>¹⁵N values, comparable to results for some regions of Europe and Asia. The northern Australian data extends to higher <i>δ</i>¹³C values than the other groups due to a greater component of carbon in the diet ultimately from a C₄ source. Vegetarians exhibit a similar range to the omnivores in <i>δ</i>¹³C but tend to lower <i>δ</i>¹⁵N values.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Global supply chains and industrial fertilizer use have reduced the range <i>δ</i>¹³C and nitrogen <i>δ</i>¹⁵N values in the samples in this study, as has been the case globally. The range of values observed reflects the ability of consumers to access local produce from supermarkets or local markets. The Australasian data tend to lower <i>δ</i>¹³C values than the global average, indicating a dominance of carbon assimilated by C₃ photosynthesis in the diet. While similar to some European and Asian populations, <i>δ</i>¹³C values are lower than from regions with a high reliance on carbon assimilated by C₄ photosynthesis, including the Americas and parts of Africa.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 15","pages":""},"PeriodicalIF":1.8,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.10058","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143897220","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}