MetabolitesPub Date : 2025-01-14DOI: 10.3390/metabo15010048
Christian Ludwig
{"title":"MetaboLabPy-An Open-Source Software Package for Metabolomics NMR Data Processing and Metabolic Tracer Data Analysis.","authors":"Christian Ludwig","doi":"10.3390/metabo15010048","DOIUrl":"10.3390/metabo15010048","url":null,"abstract":"<p><p><b>Introduction:</b> NMR spectroscopy is a powerful technique for studying metabolism, either in metabolomics settings or through tracing with stable isotope-enriched metabolic precursors. MetaboLabPy (version 0.9.66) is a free and open-source software package used to process 1D- and 2D-NMR spectra. The software implements a complete workflow for NMR data pre-processing to prepare a series of 1D-NMR spectra for multi-variate statistical data analysis. This includes a choice of algorithms for automated phase correction, segmental alignment, spectral scaling, variance stabilisation, export to various software platforms, and analysis of metabolic tracing data. The software has an integrated help system with tutorials that demonstrate standard workflows and explain the capabilities of MetaboLabPy. <b>Materials and Methods:</b> The software is implemented in Python and uses numerous Python toolboxes, such as numpy, scipy, pandas, etc. The software is implemented in three different packages: metabolabpy, qtmetabolabpy, and metabolabpytools. The metabolabpy package contains classes to handle NMR data and all the numerical routines necessary to process and pre-process 1D NMR data and perform multiplet analysis on 2D-<sup>1</sup>H, <sup>13</sup>C HSQC NMR data. The qtmetabolabpy package contains routines related to the graphical user interface. <b>Results:</b> PySide6 is used to produce a modern and user-friendly graphical user interface. The metabolabpytools package contains routines which are not specific to just handling NMR data, for example, routines to derive isotopomer distributions from the combination of NMR multiplet and GC-MS data. A deep-learning approach for the latter is currently under development. MetaboLabPy is available via the Python Package Index or via GitHub.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767891/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-14DOI: 10.3390/metabo15010050
Blake Collie, Jacopo Troisi, Martina Lombardi, Steven Symes, Sean Richards
{"title":"The Current Applications of Metabolomics in Understanding Endometriosis: A Systematic Review.","authors":"Blake Collie, Jacopo Troisi, Martina Lombardi, Steven Symes, Sean Richards","doi":"10.3390/metabo15010050","DOIUrl":"10.3390/metabo15010050","url":null,"abstract":"<p><p>Endometriosis is a common gynecological disease that affects approximately 10-15% of reproductive-aged women worldwide. This debilitating disease has a negative impact on the quality of life of those affected. Despite this condition being very common, the pathogenesis is not well understood. Metabolomics is the study of the array of low-weight metabolites in a given sample. This emerging field of omics-based science has proved to be effective at furthering the understanding of endometriosis. In this systematic review, we seek to provide an overview of the application of metabolomics in endometriosis. We highlight the use of metabolomics in locating biomarkers for identification, understanding treatment mechanisms and symptoms, and relating external factors to endometriosis. The literature search took place in the Web of Science, Pubmed, and Google Scholar based on the keywords \"metabolomics\" AND \"endometriosis\" or \"metabolome\" AND \"endometriosis\". We found 58 articles from 2012 to 2024 that met our search criteria. Significant alterations of lipids, amino acids, as well as other compounds were present in human and animal models. Discrepancies among studies of significantly altered metabolites make it difficult to make general conclusions on the metabolic signature of endometriosis. However, several individual metabolites were elevated in multiple studies of women with endometriosis; these include 3-hydroxybutyrate, lactate, phosphatidic acids, succinate, pyruvate, tetradecenoylcarnitine, hypoxanthine, and xanthine. Accordingly, L-isoleucine and citrate were reduced in multiple studies of women with endometriosis. Including larger cohorts, standardizing testing methods, and studying the individual phenotypes of endometriosis may lead to more separable results.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767062/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-14DOI: 10.3390/metabo15010049
Alan J Sinclair, Ahmed H Abdelhafiz
{"title":"The Use of SGLT-2 Inhibitors and GLP-1RA in Frail Older People with Diabetes: A Personalised Approach Is Required.","authors":"Alan J Sinclair, Ahmed H Abdelhafiz","doi":"10.3390/metabo15010049","DOIUrl":"10.3390/metabo15010049","url":null,"abstract":"<p><p><b>Background:</b> Frailty is an increasingly recognised complication of diabetes in older people and should be taken into consideration in management plans, including the use of the new therapies of sodium glucose cotransporter-2 (SGLT-2) inhibitors and glucagon like peptide-1 receptor agonists (GLP-1RA). The frailty syndrome appears to span across a spectrum, from a sarcopenic obese phenotype at one end, characterised by obesity, insulin resistance, and prevalent cardiovascular risk factors, to an anorexic malnourished phenotype at the other end, characterised by significant weight loss, reduced insulin resistance, and less prevalent cardiovascular risk factors. Therefore, the use of the new therapies may not be suitable for every frail older individual with diabetes. <b>Objectives:</b> To review the characteristics and phenotype of frail older people with diabetes who should benefit from the use of SGLT-2 inhibitors or GLP-1RA. <b>Methods:</b> A narrative review of the studies investigating the benefits of SGLT-2 inhibitors and GLP-1RA in frail older people with diabetes. <b>Results:</b> The current evidence is indirect, and the literature suggests that the new therapies are effective in frail older people with diabetes and the benefit appears to be proportional with the severity of frailty. However, frail patients described in the literature who benefited from such therapy appeared to be either overweight or obese, and to have a higher prevalence of unfavourable metabolism and cardiovascular risk factors such as dyslipidaemia, gout, and hypertension compared to non-frail subjects. They also have a higher prevalence of established cardiovascular disease compared with non-frail individuals. In absolute terms, their higher cardiovascular baseline risk meant that they benefited the most from such therapy. The characteristics of this group of frail patients fulfil the criteria of the sarcopenic obese frailty phenotype, which is likely to benefit most from the new therapies due to the unfavourable metabolic profile of this phenotype. There is no current evidence to suggest the benefit of the new therapies in the anorexic malnourished phenotype, which is underrepresented or totally excluded from these studies, such as in patients living in care homes. This phenotype is likely to be intolerant to such therapy due to its associated risk of inducing further weight loss, dehydration, and hypotension. <b>Conclusions:</b> Clinicians should consider the early use of the new therapies in frail older people with diabetes who are either of normal weight, overweight, or obese with prevalent cardiovascular risk factors, and avoid their use in those frail subjects who ae underweight, anorexic, and malnourished.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767933/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-14DOI: 10.3390/metabo15010051
Zheyuan Ou, Xi Fu, Dan Norbäck, Ruqin Lin, Jikai Wen, Yu Sun
{"title":"MiMeJF: Application of Coupled Matrix and Tensor Factorization (CMTF) for Enhanced Microbiome-Metabolome Multi-Omic Analysis.","authors":"Zheyuan Ou, Xi Fu, Dan Norbäck, Ruqin Lin, Jikai Wen, Yu Sun","doi":"10.3390/metabo15010051","DOIUrl":"10.3390/metabo15010051","url":null,"abstract":"<p><p><b>Background/Objectives</b>: The integration of microbiome and metabolome data could unveil profound insights into biological processes. However, widely used multi-omic data analyses often employ a stepwise mining approach, failing to harness the full potential of multi-omic datasets and leading to reduced detection accuracy. Synergistic analysis incorporating microbiome/metabolome data are essential for deeper understanding. <b>Method</b>: This study introduces a Coupled Matrix and Tensor Factorization (CMTF) framework for the joint analysis of microbiome and metabolome data, overcoming these limitations. Two CMTF frameworks were developed to factorize microbial taxa, functional pathways, and metabolites into latent factors, facilitating dimension reduction and biomarker identification. Validation was conducted using three diverse microbiome/metabolome datasets, including built environments and human gut samples from inflammatory bowel disease (IBD) and COVID-19 studies. <b>Results</b>: Our results revealed biologically meaningful biomarkers, such as <i>Bacteroides vulgatus</i> and acylcarnitines associated with IBD and pyroglutamic acid and p-cresol associated with COVID-19 outcomes, which provide new avenues for research. The CMTF framework consistently outperformed traditional methods in both dimension reduction and biomarker detection, offering a robust tool for uncovering biologically relevant insights. <b>Conclusions</b>: Despite its stringent data requirements, including the reliance on stratified microbial-based pathway abundances and taxa-level contributions, this approach provides a significant step forward in multi-omics integration and analysis, with potential applications across biomedical, environmental, and agricultural research.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767930/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-13DOI: 10.3390/metabo15010046
Hong-Jun Tai, Mon-Chien Lee, Yi-Ju Hsu, Chun-Yen Kuo, Chi-Chang Huang, Ming-Fu Wang
{"title":"Correction: Tai et al. Sea Bass Essence from <i>Lates calcarifer</i> Improves Exercise Performance and Anti-Fatigue in Mice. <i>Metabolites</i> 2022, <i>12</i>, 531.","authors":"Hong-Jun Tai, Mon-Chien Lee, Yi-Ju Hsu, Chun-Yen Kuo, Chi-Chang Huang, Ming-Fu Wang","doi":"10.3390/metabo15010046","DOIUrl":"10.3390/metabo15010046","url":null,"abstract":"<p><p>First, in the original publication [...].</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767323/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143032975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Heterologous and High Production of Ergothioneine in <i>Bacillus licheniformis</i> by Using Genes from Anaerobic Bacteria.","authors":"Zhe Liu, Fengxu Xiao, Yupeng Zhang, Jiawei Lu, Youran Li, Guiyang Shi","doi":"10.3390/metabo15010045","DOIUrl":"10.3390/metabo15010045","url":null,"abstract":"<p><strong>Purpose: </strong>This study aimed to utilize genetically engineered <i>Bacillus licheniformis</i> for the production of ergothioneine (EGT). Given the value of EGT and the application of <i>Bacillus licheniformis</i> in enzyme preparation production, we cloned the key enzymes (EanA and EanB) from <i>Chlorbium limicola</i>. Through gene alignment, new ergothioneine synthase genes (EanAN and EanBN) were identified and then expressed in <i>Bacillus licheniformis</i> to construct strains. Additionally, we investigated the factors influencing the yield of EGT and made a comparison with <i>Escherichia coli</i>.</p><p><strong>Methods: </strong>The relevant genes were cloned and transferred into <i>Bacillus licheniformis</i>. Fermentation experiments were conducted under different conditions for yield analysis, and the stability of this bacterium was also evaluated simultaneously.</p><p><strong>Results: </strong>The constructed strains were capable of producing EGT. Specifically, the yield of the EanANBN strain reached (643.8 ± 135) mg/L, and its stability was suitable for continuous production.</p><p><strong>Conclusions: </strong>Genetically engineered <i>Bacillus licheniformis</i> demonstrates potential in the industrial-scale production of EGT. Compared with <i>Escherichia coli</i>, it has advantages, thus opening up new possibilities for the application and market supply of EGT.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767532/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-11DOI: 10.3390/metabo15010042
Chuan Hao Gui, Zhunan Jia, Zihao Xing, Fuchang Zhang, Fang Du, Alex Chengyao Tham, Ming Yann Lim, Yaw Khian Chong, Agnes Si Qi Chew, Khai Beng Chong
{"title":"A Study of Volatile Organic Compounds in Patients with Obstructive Sleep Apnea.","authors":"Chuan Hao Gui, Zhunan Jia, Zihao Xing, Fuchang Zhang, Fang Du, Alex Chengyao Tham, Ming Yann Lim, Yaw Khian Chong, Agnes Si Qi Chew, Khai Beng Chong","doi":"10.3390/metabo15010042","DOIUrl":"10.3390/metabo15010042","url":null,"abstract":"<p><p><b>Background</b>: Obstructive Sleep Apnea (OSA) is a prevalent sleep disorder characterized by intermittent upper airway obstruction, leading to significant health consequences. Traditional diagnostic methods, such as polysomnography, are time-consuming and resource-intensive. <b>Objectives</b>: This study explores the potential of proton-transfer-reaction mass spectrometry (PTR-MS) in identifying volatile organic compound (VOC) biomarkers for the non-invasive detection of OSA. <b>Methods</b>: Breath samples from 89 participants, including 49 OSA patients and 40 controls, were analyzed using PTR-MS. Significance analysis was performed between OSA patients and controls to identify potential biomarkers for OSA. To as-sess the differences in VOC concentrations between OSA patients and control subjects, the Wilcoxon rank-sum test was employed. partial least squares discriminant analysis (PLS-DA) analysis and heatmap plot was conducted to visualize the differentiation between OSA patients and control subjects based on their VOC profiles.In order to further investigate the correlation between identified biomarkers and the severity of OSA measured by Apnea-Hypopnea Index (AHI), regression analysis was conducted between biomarkers and AHI Index. <b>Results</b>: The results identified specific VOCs, including m045 (acetaldehyde), m095.950, and m097.071, which showed significant differences between OSA patients and controls. Advanced statistical analyses, including PLS-DA and correlation mapping, highlighted the robustness of these biomarkers, with m045 (acetaldehyde) specifically emerging as a potential biomarker associated with the AHI Index. <b>Conclusions</b>: This study underscores the potential of VOCs as biomarkers for identifying patients with severe AHI levels. The analysis of VOCs using PTR-MS presents a rapid, non-invasive, and cost-effective method that could be seamlessly integrated into clinical practice, allowing clinicians to better stratify patients based on their need for polysomnography and prioritize those requiring earlier testing. Future studies are necessary to validate these findings in larger cohorts and to explore the integration of PTR-MS with other diagnostic modalities for improved accuracy and clinical utility.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11768075/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-11DOI: 10.3390/metabo15010043
Dimitrios Tsikas
{"title":"Underlying Mechanisms of Chromatographic H/D, H/F, <i>cis/trans</i> and Isomerism Effects in GC-MS.","authors":"Dimitrios Tsikas","doi":"10.3390/metabo15010043","DOIUrl":"10.3390/metabo15010043","url":null,"abstract":"<p><p>Charge-free gaseous molecules labeled with deuterium <sup>2</sup>H (D) atoms elute earlier than their protium-analogs <sup>1</sup>H (H) from most stationary GC phases. This effect is known as the chromatographic H/D isotope effect (<i>hd</i>IE<sub>C</sub>) and can be calculated by dividing the retention times (<i>t</i><sub>R</sub>) of the protiated (<i>t</i><sub>R(H)</sub> ) to those of the deuterated (<i>t</i><sub>R(D)</sub>) analytes: <i>hd</i>IE<sub>C</sub> = <i>t</i><sub>R(H)</sub>/<i>t</i><sub>R(D)</sub>. Analytes labeled with <sup>13</sup>C, <sup>15</sup>N or <sup>18</sup>O have almost identical retention times and lack a chromatographic isotope effect. Derivatives of <i>cis-</i> and <i>trans</i>-analytes such as <i>cis-</i> and <i>trans</i>-fatty acids also differ in their retention times. Analytes that contain <i>trans</i>-C=C-double bonds elute earlier in gas chromatography-mass spectrometry (GC-MS) than their <i>cis</i>-C=C-double bonds containing congeners. The chromatographic <i>cis/trans</i>-effect (<i>ct</i>E<sub>C</sub>) can be calculated by dividing the retention times of the <i>cis</i>- by those of the <i>trans</i>-analytes: <i>ct</i>E<sub>C</sub> = <i>t</i><sub>R(c)/</sub><i>t</i><sub>R(t)</sub>. In the present work, the <i>hd</i>IE<sub>C</sub> and <i>ct</i>E<sub>C</sub> values of endogenous and exogenous substances were calculated from previously reported GC-MS analyses and found to range each between 1.0009 and 1.0400. The examination suggests that the H/D-isotope effects and the <i>cis/trans</i>-effects observed in GC-MS are based on differences in the inter-molecular interaction strengths of the analyte derivatives with the stationary phase of GC columns. The deuterium atoms, being larger than the H atoms of the analytes, attenuate the interaction of the skeleton of the molecules with the GC stationary phase. The angulation of <i>trans</i>-analytes decreases the interaction of the skeleton of the molecules with the GC stationary phase, as only parts of the molecules are close enough to the GC stationary phase to interact. Other chromatographic effects caused by hydrogen (H) and fluorine (F) atoms and by stereo-isomerism are considered to be based on a similar mechanism due to the different orientation of the side chains.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767492/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-11DOI: 10.3390/metabo15010044
Md Shaheenur Islam Sumon, Md Sakib Abrar Hossain, Haya Al-Sulaiti, Hadi M Yassine, Muhammad E H Chowdhury
{"title":"A Comprehensive Machine Learning Approach for COVID-19 Target Discovery in the Small-Molecule Metabolome.","authors":"Md Shaheenur Islam Sumon, Md Sakib Abrar Hossain, Haya Al-Sulaiti, Hadi M Yassine, Muhammad E H Chowdhury","doi":"10.3390/metabo15010044","DOIUrl":"10.3390/metabo15010044","url":null,"abstract":"<p><p><b>Background/Objectives:</b> Respiratory viruses, including Influenza, RSV, and COVID-19, cause various respiratory infections. Distinguishing these viruses relies on diagnostic methods such as PCR testing. Challenges stem from overlapping symptoms and the emergence of new strains. Advanced diagnostics are crucial for accurate detection and effective management. This study leveraged nasopharyngeal metabolome data to predict respiratory virus scenarios including control vs. RSV, control vs. Influenza A, control vs. COVID-19, control vs. all respiratory viruses, and COVID-19 vs. Influenza A/RSV. <b>Method:</b> We proposed a stacking-based ensemble technique, integrating the top three best-performing ML models from the initial results to enhance prediction accuracy by leveraging the strengths of multiple base learners. Key techniques such as feature ranking, standard scaling, and SMOTE were used to address class imbalances, thus enhancing model robustness. SHAP analysis identified crucial metabolites influencing positive predictions, thereby providing valuable insights into diagnostic markers. <b>Results:</b> Our approach not only outperformed existing methods but also revealed top dominant features for predicting COVID-19, including Lysophosphatidylcholine acyl C18:2, Kynurenine, Phenylalanine, Valine, Tyrosine, and Aspartic Acid (Asp). <b>Conclusions:</b> This study demonstrates the effectiveness of leveraging nasopharyngeal metabolome data and stacking-based ensemble techniques for predicting respiratory virus scenarios. The proposed approach enhances prediction accuracy, provides insights into key diagnostic markers, and offers a robust framework for managing respiratory infections.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767724/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MetabolitesPub Date : 2025-01-10DOI: 10.3390/metabo15010037
Kiana L Holbrook, Wen-Yee Lee
{"title":"Volatile Organic Metabolites as Potential Biomarkers for Genitourinary Cancers: Review of the Applications and Detection Methods.","authors":"Kiana L Holbrook, Wen-Yee Lee","doi":"10.3390/metabo15010037","DOIUrl":"10.3390/metabo15010037","url":null,"abstract":"<p><p>Cancer is one of the leading causes of death globally, and is ranked second in the United States. Early detection is crucial for more effective treatment and a higher chance of survival rates, reducing burdens on individuals and societies. Genitourinary cancers, in particular, face significant challenges in early detection. Finding new and cost-effective diagnostic methods is of clinical need. Metabolomic-based approaches, notably volatile organic compound (VOC) analysis, have shown promise in detecting cancer. VOCs are small organic metabolites involved in biological processes and disease development. They can be detected in urine, breath, and blood samples, making them potential candidates for sensitive and non-invasive alternatives for early cancer detection. However, developing robust VOC detection methods remains a hurdle. This review outlines the current landscape of major genitourinary cancers (kidney, prostate, bladder, and testicular), including epidemiology, risk factors, and current diagnostic tools. Furthermore, it explores the applications of using VOCs as cancer biomarkers, various analytical techniques, and comparisons of extraction and detection methods across different biospecimens. The potential use of VOCs in detection, monitoring disease progression, and treatment responses in the field of genitourinary oncology is examined.</p>","PeriodicalId":18496,"journal":{"name":"Metabolites","volume":"15 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11767221/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143033522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}