Inflammatory bowel disease and patterns of volatile organic compounds in the exhaled breath of children: A case-control study using Ion Molecule Reaction-Mass Spectrometry
Inflammatory bowel diseases (IBD) profoundly affect quality of life and have been gradually increasing in incidence, prevalence and severity in many areas of the world, and in children in particular. Patients with suspected IBD require careful history and clinical examination, while definitive diagn...
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description | Inflammatory bowel diseases (IBD) profoundly affect quality of life and have been gradually increasing in incidence, prevalence and severity in many areas of the world, and in children in particular. Patients with suspected IBD require careful history and clinical examination, while definitive diagnosis relies on endoscopic and histological findings. The aim of the present study was to investigate whether the alveolar air of pediatric patients with IBD presents a specific volatile organic compounds' (VOCs) pattern when compared to controls. Patients 10-17 years of age, were divided into four groups: Crohn's disease (CD), ulcerative colitis (UC), controls with gastrointestinal symptomatology, and surgical controls with no evidence of gastrointestinal problems. Alveolar breath was analyzed by ion molecule reaction mass spectrometry. Four models were built starting from 81 molecules plus the age of subjects as independent variables, adopting a penalizing LASSO logistic regression approach: 1) IBDs vs. controls, finally based on 18 VOCs plus age (sensitivity = 95%, specificity = 69%, AUC = 0.925); 2) CD vs. UC, finally based on 13 VOCs plus age (sensitivity = 94%, specificity = 76%, AUC = 0.934); 3) IBDs vs. gastroenterological controls, finally based on 15 VOCs plus age (sensitivity = 94%, specificity = 65%, AUC = 0.918); 4) IBDs vs. controls, built starting from the 21 directly or indirectly calibrated molecules only, and finally based on 12 VOCs plus age (sensitivity = 94%, specificity = 71%, AUC = 0.888). The molecules identified by the models were carefully studied in relation to the concerned outcomes. This study, with the creation of models based on VOCs profiles, precise instrumentation and advanced statistical methods, can contribute to the development of new non-invasive, fast and relatively inexpensive diagnostic tools, with high sensitivity and specificity. It also represents a crucial step towards gaining further insights on the etiology of IBD through the analysis of specific molecules which are the expression of the particular metabolism that characterizes these patients. |
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Patients with suspected IBD require careful history and clinical examination, while definitive diagnosis relies on endoscopic and histological findings. The aim of the present study was to investigate whether the alveolar air of pediatric patients with IBD presents a specific volatile organic compounds' (VOCs) pattern when compared to controls. Patients 10-17 years of age, were divided into four groups: Crohn's disease (CD), ulcerative colitis (UC), controls with gastrointestinal symptomatology, and surgical controls with no evidence of gastrointestinal problems. Alveolar breath was analyzed by ion molecule reaction mass spectrometry. Four models were built starting from 81 molecules plus the age of subjects as independent variables, adopting a penalizing LASSO logistic regression approach: 1) IBDs vs. controls, finally based on 18 VOCs plus age (sensitivity = 95%, specificity = 69%, AUC = 0.925); 2) CD vs. UC, finally based on 13 VOCs plus age (sensitivity = 94%, specificity = 76%, AUC = 0.934); 3) IBDs vs. gastroenterological controls, finally based on 15 VOCs plus age (sensitivity = 94%, specificity = 65%, AUC = 0.918); 4) IBDs vs. controls, built starting from the 21 directly or indirectly calibrated molecules only, and finally based on 12 VOCs plus age (sensitivity = 94%, specificity = 71%, AUC = 0.888). The molecules identified by the models were carefully studied in relation to the concerned outcomes. This study, with the creation of models based on VOCs profiles, precise instrumentation and advanced statistical methods, can contribute to the development of new non-invasive, fast and relatively inexpensive diagnostic tools, with high sensitivity and specificity. It also represents a crucial step towards gaining further insights on the etiology of IBD through the analysis of specific molecules which are the expression of the particular metabolism that characterizes these patients.</description><identifier>ISSN: 1932-6203</identifier><identifier>EISSN: 1932-6203</identifier><identifier>DOI: 10.1371/journal.pone.0184118</identifier><identifier>PMID: 28859138</identifier><language>eng</language><publisher>United States: Public Library of Science</publisher><subject>Adolescent ; Age ; Alveolar air ; Alveolar process ; Alveoli ; Biology and Life Sciences ; Breath Tests ; Care and treatment ; Case studies ; Child ; Children ; Childrens health ; Chromatography ; Colitis, Ulcerative - diagnosis ; Colitis, Ulcerative - metabolism ; Colitis, Ulcerative - pathology ; Comparative analysis ; Crohn Disease - diagnosis ; Crohn Disease - metabolism ; Crohn Disease - pathology ; Diagnosis ; Diagnostic software ; Diagnostic systems ; Disease control ; Endoscopes ; Endoscopy ; Etiology ; Exhalation ; Feces ; Female ; Health aspects ; Health care ; Homeostasis ; Humans ; Hydrogen ; Incidence ; Independent variables ; Inflammation ; Inflammatory bowel disease ; Inflammatory bowel diseases ; Inflammatory Bowel Diseases - diagnosis ; Inflammatory Bowel Diseases - metabolism ; Inflammatory Bowel Diseases - physiopathology ; Instrumentation ; Intestine ; Laboratories ; Lung cancer ; Male ; Mass Spectrometry ; Mass spectroscopy ; Maternal & child health ; Medicine ; Medicine and Health Sciences ; Metabolism ; Metabolites ; Molecular modelling ; Organic compounds ; Oxidative stress ; Patients ; Pediatrics ; Physical Sciences ; Physiological aspects ; Public health ; Quality of life ; Regression analysis ; Risk factors ; Scientific imaging ; Sensitivity ; Spectroscopy ; Statistical analysis ; Statistical methods ; Studies ; Surgery ; Surgical instruments ; Ulcerative colitis ; Urine ; VOCs ; Volatile organic compounds ; Volatile Organic Compounds - isolation & purification ; Volatile Organic Compounds - metabolism</subject><ispartof>PloS one, 2017-08, Vol.12 (8), p.e0184118-e0184118</ispartof><rights>COPYRIGHT 2017 Public Library of Science</rights><rights>2017 Monasta et al. This is an open access article distributed under the terms of the Creative Commons Attribution License: http://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>2017 Monasta et al 2017 Monasta et al</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c692t-9e0978c8ec1df377be210253b751e355bc544a8f8dc9f5cadaf891d0f5fb45e63</citedby><cites>FETCH-LOGICAL-c692t-9e0978c8ec1df377be210253b751e355bc544a8f8dc9f5cadaf891d0f5fb45e63</cites><orcidid>0000-0001-7774-548X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578606/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578606/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,315,729,782,786,866,887,2104,2930,23873,27931,27932,53798,53800</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/28859138$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><contributor>Vermund, Sten H</contributor><creatorcontrib>Monasta, Lorenzo</creatorcontrib><creatorcontrib>Pierobon, Chiara</creatorcontrib><creatorcontrib>Princivalle, Andrea</creatorcontrib><creatorcontrib>Martelossi, Stefano</creatorcontrib><creatorcontrib>Marcuzzi, Annalisa</creatorcontrib><creatorcontrib>Pasini, Francesco</creatorcontrib><creatorcontrib>Perbellini, Luigi</creatorcontrib><title>Inflammatory bowel disease and patterns of volatile organic compounds in the exhaled breath of children: A case-control study using Ion Molecule Reaction-Mass Spectrometry</title><title>PloS one</title><addtitle>PLoS One</addtitle><description>Inflammatory bowel diseases (IBD) profoundly affect quality of life and have been gradually increasing in incidence, prevalence and severity in many areas of the world, and in children in particular. Patients with suspected IBD require careful history and clinical examination, while definitive diagnosis relies on endoscopic and histological findings. The aim of the present study was to investigate whether the alveolar air of pediatric patients with IBD presents a specific volatile organic compounds' (VOCs) pattern when compared to controls. Patients 10-17 years of age, were divided into four groups: Crohn's disease (CD), ulcerative colitis (UC), controls with gastrointestinal symptomatology, and surgical controls with no evidence of gastrointestinal problems. Alveolar breath was analyzed by ion molecule reaction mass spectrometry. Four models were built starting from 81 molecules plus the age of subjects as independent variables, adopting a penalizing LASSO logistic regression approach: 1) IBDs vs. controls, finally based on 18 VOCs plus age (sensitivity = 95%, specificity = 69%, AUC = 0.925); 2) CD vs. UC, finally based on 13 VOCs plus age (sensitivity = 94%, specificity = 76%, AUC = 0.934); 3) IBDs vs. gastroenterological controls, finally based on 15 VOCs plus age (sensitivity = 94%, specificity = 65%, AUC = 0.918); 4) IBDs vs. controls, built starting from the 21 directly or indirectly calibrated molecules only, and finally based on 12 VOCs plus age (sensitivity = 94%, specificity = 71%, AUC = 0.888). The molecules identified by the models were carefully studied in relation to the concerned outcomes. This study, with the creation of models based on VOCs profiles, precise instrumentation and advanced statistical methods, can contribute to the development of new non-invasive, fast and relatively inexpensive diagnostic tools, with high sensitivity and specificity. It also represents a crucial step towards gaining further insights on the etiology of IBD through the analysis of specific molecules which are the expression of the particular metabolism that characterizes these patients.</description><subject>Adolescent</subject><subject>Age</subject><subject>Alveolar air</subject><subject>Alveolar process</subject><subject>Alveoli</subject><subject>Biology and Life Sciences</subject><subject>Breath Tests</subject><subject>Care and treatment</subject><subject>Case studies</subject><subject>Child</subject><subject>Children</subject><subject>Childrens health</subject><subject>Chromatography</subject><subject>Colitis, Ulcerative - diagnosis</subject><subject>Colitis, Ulcerative - metabolism</subject><subject>Colitis, Ulcerative - pathology</subject><subject>Comparative analysis</subject><subject>Crohn Disease - diagnosis</subject><subject>Crohn Disease - metabolism</subject><subject>Crohn Disease - pathology</subject><subject>Diagnosis</subject><subject>Diagnostic software</subject><subject>Diagnostic systems</subject><subject>Disease control</subject><subject>Endoscopes</subject><subject>Endoscopy</subject><subject>Etiology</subject><subject>Exhalation</subject><subject>Feces</subject><subject>Female</subject><subject>Health aspects</subject><subject>Health care</subject><subject>Homeostasis</subject><subject>Humans</subject><subject>Hydrogen</subject><subject>Incidence</subject><subject>Independent variables</subject><subject>Inflammation</subject><subject>Inflammatory bowel disease</subject><subject>Inflammatory bowel diseases</subject><subject>Inflammatory Bowel Diseases - diagnosis</subject><subject>Inflammatory Bowel Diseases - metabolism</subject><subject>Inflammatory Bowel Diseases - physiopathology</subject><subject>Instrumentation</subject><subject>Intestine</subject><subject>Laboratories</subject><subject>Lung cancer</subject><subject>Male</subject><subject>Mass Spectrometry</subject><subject>Mass spectroscopy</subject><subject>Maternal & child health</subject><subject>Medicine</subject><subject>Medicine and Health Sciences</subject><subject>Metabolism</subject><subject>Metabolites</subject><subject>Molecular modelling</subject><subject>Organic compounds</subject><subject>Oxidative stress</subject><subject>Patients</subject><subject>Pediatrics</subject><subject>Physical Sciences</subject><subject>Physiological aspects</subject><subject>Public health</subject><subject>Quality of life</subject><subject>Regression analysis</subject><subject>Risk factors</subject><subject>Scientific imaging</subject><subject>Sensitivity</subject><subject>Spectroscopy</subject><subject>Statistical analysis</subject><subject>Statistical methods</subject><subject>Studies</subject><subject>Surgery</subject><subject>Surgical instruments</subject><subject>Ulcerative colitis</subject><subject>Urine</subject><subject>VOCs</subject><subject>Volatile organic compounds</subject><subject>Volatile Organic Compounds - 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Academic</collection><collection>PubMed Central (Full Participant titles)</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>PloS one</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Monasta, Lorenzo</au><au>Pierobon, Chiara</au><au>Princivalle, Andrea</au><au>Martelossi, Stefano</au><au>Marcuzzi, Annalisa</au><au>Pasini, Francesco</au><au>Perbellini, Luigi</au><au>Vermund, Sten H</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Inflammatory bowel disease and patterns of volatile organic compounds in the exhaled breath of children: A case-control study using Ion Molecule Reaction-Mass Spectrometry</atitle><jtitle>PloS one</jtitle><addtitle>PLoS One</addtitle><date>2017-08-31</date><risdate>2017</risdate><volume>12</volume><issue>8</issue><spage>e0184118</spage><epage>e0184118</epage><pages>e0184118-e0184118</pages><issn>1932-6203</issn><eissn>1932-6203</eissn><abstract>Inflammatory bowel diseases (IBD) profoundly affect quality of life and have been gradually increasing in incidence, prevalence and severity in many areas of the world, and in children in particular. Patients with suspected IBD require careful history and clinical examination, while definitive diagnosis relies on endoscopic and histological findings. The aim of the present study was to investigate whether the alveolar air of pediatric patients with IBD presents a specific volatile organic compounds' (VOCs) pattern when compared to controls. Patients 10-17 years of age, were divided into four groups: Crohn's disease (CD), ulcerative colitis (UC), controls with gastrointestinal symptomatology, and surgical controls with no evidence of gastrointestinal problems. Alveolar breath was analyzed by ion molecule reaction mass spectrometry. Four models were built starting from 81 molecules plus the age of subjects as independent variables, adopting a penalizing LASSO logistic regression approach: 1) IBDs vs. controls, finally based on 18 VOCs plus age (sensitivity = 95%, specificity = 69%, AUC = 0.925); 2) CD vs. UC, finally based on 13 VOCs plus age (sensitivity = 94%, specificity = 76%, AUC = 0.934); 3) IBDs vs. gastroenterological controls, finally based on 15 VOCs plus age (sensitivity = 94%, specificity = 65%, AUC = 0.918); 4) IBDs vs. controls, built starting from the 21 directly or indirectly calibrated molecules only, and finally based on 12 VOCs plus age (sensitivity = 94%, specificity = 71%, AUC = 0.888). The molecules identified by the models were carefully studied in relation to the concerned outcomes. This study, with the creation of models based on VOCs profiles, precise instrumentation and advanced statistical methods, can contribute to the development of new non-invasive, fast and relatively inexpensive diagnostic tools, with high sensitivity and specificity. It also represents a crucial step towards gaining further insights on the etiology of IBD through the analysis of specific molecules which are the expression of the particular metabolism that characterizes these patients.</abstract><cop>United States</cop><pub>Public Library of Science</pub><pmid>28859138</pmid><doi>10.1371/journal.pone.0184118</doi><tpages>e0184118</tpages><orcidid>https://orcid.org/0000-0001-7774-548X</orcidid><oa>free_for_read</oa></addata></record> |
fulltext | fulltext |
identifier | ISSN: 1932-6203 |
ispartof | PloS one, 2017-08, Vol.12 (8), p.e0184118-e0184118 |
issn | 1932-6203 1932-6203 |
language | eng |
recordid | cdi_plos_journals_1934236278 |
source | MEDLINE; DOAJ Directory of Open Access Journals; Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; Public Library of Science (PLoS) Journals Open Access; PubMed Central; Free Full-Text Journals in Chemistry |
subjects | Adolescent Age Alveolar air Alveolar process Alveoli Biology and Life Sciences Breath Tests Care and treatment Case studies Child Children Childrens health Chromatography Colitis, Ulcerative - diagnosis Colitis, Ulcerative - metabolism Colitis, Ulcerative - pathology Comparative analysis Crohn Disease - diagnosis Crohn Disease - metabolism Crohn Disease - pathology Diagnosis Diagnostic software Diagnostic systems Disease control Endoscopes Endoscopy Etiology Exhalation Feces Female Health aspects Health care Homeostasis Humans Hydrogen Incidence Independent variables Inflammation Inflammatory bowel disease Inflammatory bowel diseases Inflammatory Bowel Diseases - diagnosis Inflammatory Bowel Diseases - metabolism Inflammatory Bowel Diseases - physiopathology Instrumentation Intestine Laboratories Lung cancer Male Mass Spectrometry Mass spectroscopy Maternal & child health Medicine Medicine and Health Sciences Metabolism Metabolites Molecular modelling Organic compounds Oxidative stress Patients Pediatrics Physical Sciences Physiological aspects Public health Quality of life Regression analysis Risk factors Scientific imaging Sensitivity Spectroscopy Statistical analysis Statistical methods Studies Surgery Surgical instruments Ulcerative colitis Urine VOCs Volatile organic compounds Volatile Organic Compounds - isolation & purification Volatile Organic Compounds - metabolism |
title | Inflammatory bowel disease and patterns of volatile organic compounds in the exhaled breath of children: A case-control study using Ion Molecule Reaction-Mass Spectrometry |
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