Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry
Cystic fibrosis (CF) is a hereditary disease characterized by the progression of respiratory disorders, especially in adult patients. The purpose of the study was to identify volatile organic compounds (VOCs) as predictors of respiratory dysfunction, chronic respiratory infections of <i>Staphy...
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2024-09-01
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| author | Malika Mustafina Artemiy Silantyev Stanislav Krasovskiy Alexander Chernyak Zhanna Naumenko Aleksandr Suvorov Daria Gognieva Magomed Abdullaev Olga Suvorova Anna Schmidt Aida Gadzhiakhmedova Aleksandra Bykova Sergey Avdeev Vladimir Betelin Abram Syrkin Philipp Kopylov |
| author_facet | Malika Mustafina Artemiy Silantyev Stanislav Krasovskiy Alexander Chernyak Zhanna Naumenko Aleksandr Suvorov Daria Gognieva Magomed Abdullaev Olga Suvorova Anna Schmidt Aida Gadzhiakhmedova Aleksandra Bykova Sergey Avdeev Vladimir Betelin Abram Syrkin Philipp Kopylov |
| author_sort | Malika Mustafina |
| collection | DOAJ |
| description | Cystic fibrosis (CF) is a hereditary disease characterized by the progression of respiratory disorders, especially in adult patients. The purpose of the study was to identify volatile organic compounds (VOCs) as predictors of respiratory dysfunction, chronic respiratory infections of <i>Staphylococcus aureus</i>, <i>Pseudomonas aeruginosa</i>, <i>Burkholderia cepacia</i>, and VOCs associated with severe genotype and highly effective modulator treatment (HEMT). Exhaled breath samples from 102 adults with CF were analyzed using PTR-TOF-MS, obtained during a forced expiratory maneuver and normal quiet breathing. Using cross-validation and building gradient boosting classifiers (XGBoost), the importance of VOCs for functional and clinical outcomes was determined. The presence of the previously identified VOCs indole, phenol, and dimethyl sulfide were metabolic outcomes associated with impaired respiratory function. New VOCs associated with respiratory disorders were methyl acetate, carbamic acid, 1,3-Pentadiene, and 2,3-dimethyl-2-butene; VOCs associated with the above mentioned respiratory pathogens were non-differentiable nitrogen-containing organic compounds <i>m</i>/<i>z</i> = 47.041 (CH5NO)+ and <i>m</i>/<i>z</i> = 44.044 (C2H5NH+), hydrocarbons (cyclopropane, propene) and methanethiol; and VOCs associated with severe CFTR genotype were non-differentiable VOC <i>m</i>/<i>z</i> = 281.053. No significant features associated with the use of HEMT were identified. Early non-invasive determination of VOCs as biomarkers of the severity of CF and specific pathogenic respiratory flora could make it possible to prescribe adequate therapy and assess the prognosis of the disease. However, further larger standardized studies are needed for clinical use. |
| format | Article |
| id | doaj-art-03dcdeba19754121927554ec030e7c73 |
| institution | OA Journals |
| issn | 2218-273X |
| language | English |
| publishDate | 2024-09-01 |
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| series | Biomolecules |
| spelling | doaj-art-03dcdeba19754121927554ec030e7c732025-08-20T01:56:05ZengMDPI AGBiomolecules2218-273X2024-09-01149118910.3390/biom14091189Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass SpectrometryMalika Mustafina0Artemiy Silantyev1Stanislav Krasovskiy2Alexander Chernyak3Zhanna Naumenko4Aleksandr Suvorov5Daria Gognieva6Magomed Abdullaev7Olga Suvorova8Anna Schmidt9Aida Gadzhiakhmedova10Aleksandra Bykova11Sergey Avdeev12Vladimir Betelin13Abram Syrkin14Philipp Kopylov15Department of Cardiology, Functional and Ultrasound Diagnostics, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaWorld-Class Research Center “Digital Biodesign and Personalized Healthcare”, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaPulmonology Research Institute under the Federal Medical and Biological Agency of Russia, Moscow 115682, RussiaPulmonology Research Institute under the Federal Medical and Biological Agency of Russia, Moscow 115682, RussiaPulmonology Research Institute under the Federal Medical and Biological Agency of Russia, Moscow 115682, RussiaWorld-Class Research Center “Digital Biodesign and Personalized Healthcare”, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaDepartment of Cardiology, Functional and Ultrasound Diagnostics, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaResearch Institute for Systemic Analysis of the Russian Academy of Sciences, Moscow 117218, RussiaPulmonology Department, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaPulmonology Department, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaWorld-Class Research Center “Digital Biodesign and Personalized Healthcare”, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaDepartment of Cardiology, Functional and Ultrasound Diagnostics, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaPulmonology Research Institute under the Federal Medical and Biological Agency of Russia, Moscow 115682, RussiaResearch Institute for Systemic Analysis of the Russian Academy of Sciences, Moscow 117218, RussiaDepartment of Cardiology, Functional and Ultrasound Diagnostics, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaDepartment of Cardiology, Functional and Ultrasound Diagnostics, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, RussiaCystic fibrosis (CF) is a hereditary disease characterized by the progression of respiratory disorders, especially in adult patients. The purpose of the study was to identify volatile organic compounds (VOCs) as predictors of respiratory dysfunction, chronic respiratory infections of <i>Staphylococcus aureus</i>, <i>Pseudomonas aeruginosa</i>, <i>Burkholderia cepacia</i>, and VOCs associated with severe genotype and highly effective modulator treatment (HEMT). Exhaled breath samples from 102 adults with CF were analyzed using PTR-TOF-MS, obtained during a forced expiratory maneuver and normal quiet breathing. Using cross-validation and building gradient boosting classifiers (XGBoost), the importance of VOCs for functional and clinical outcomes was determined. The presence of the previously identified VOCs indole, phenol, and dimethyl sulfide were metabolic outcomes associated with impaired respiratory function. New VOCs associated with respiratory disorders were methyl acetate, carbamic acid, 1,3-Pentadiene, and 2,3-dimethyl-2-butene; VOCs associated with the above mentioned respiratory pathogens were non-differentiable nitrogen-containing organic compounds <i>m</i>/<i>z</i> = 47.041 (CH5NO)+ and <i>m</i>/<i>z</i> = 44.044 (C2H5NH+), hydrocarbons (cyclopropane, propene) and methanethiol; and VOCs associated with severe CFTR genotype were non-differentiable VOC <i>m</i>/<i>z</i> = 281.053. No significant features associated with the use of HEMT were identified. Early non-invasive determination of VOCs as biomarkers of the severity of CF and specific pathogenic respiratory flora could make it possible to prescribe adequate therapy and assess the prognosis of the disease. However, further larger standardized studies are needed for clinical use.https://www.mdpi.com/2218-273X/14/9/1189exhaled biomarkersvolatile organic compoundscystic fibrosisproton mass spectrometryrespiratory function |
| spellingShingle | Malika Mustafina Artemiy Silantyev Stanislav Krasovskiy Alexander Chernyak Zhanna Naumenko Aleksandr Suvorov Daria Gognieva Magomed Abdullaev Olga Suvorova Anna Schmidt Aida Gadzhiakhmedova Aleksandra Bykova Sergey Avdeev Vladimir Betelin Abram Syrkin Philipp Kopylov Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry Biomolecules exhaled biomarkers volatile organic compounds cystic fibrosis proton mass spectrometry respiratory function |
| title | Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry |
| title_full | Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry |
| title_fullStr | Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry |
| title_full_unstemmed | Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry |
| title_short | Identification of Exhaled Metabolites Correlated with Respiratory Function and Clinical Features in Adult Patients with Cystic Fibrosis by Real-Time Proton Mass Spectrometry |
| title_sort | identification of exhaled metabolites correlated with respiratory function and clinical features in adult patients with cystic fibrosis by real time proton mass spectrometry |
| topic | exhaled biomarkers volatile organic compounds cystic fibrosis proton mass spectrometry respiratory function |
| url | https://www.mdpi.com/2218-273X/14/9/1189 |
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