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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Veröffentlicht in:PloS one 2017-08, Vol.12 (8), p.e0184118-e0184118
Hauptverfasser: Monasta, Lorenzo, Pierobon, Chiara, Princivalle, Andrea, Martelossi, Stefano, Marcuzzi, Annalisa, Pasini, Francesco, Perbellini, Luigi
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container_start_page e0184118
container_title PloS one
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creator Monasta, Lorenzo
Pierobon, Chiara
Princivalle, Andrea
Martelossi, Stefano
Marcuzzi, Annalisa
Pasini, Francesco
Perbellini, Luigi
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.
doi_str_mv 10.1371/journal.pone.0184118
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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 &amp; 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 &amp; 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. 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Medical Complete (Alumni)</collection><collection>Materials Science Database</collection><collection>Nursing &amp; Allied Health Database (Alumni Edition)</collection><collection>Meteorological &amp; Geoastrophysical Abstracts - Academic</collection><collection>ProQuest Engineering Collection</collection><collection>ProQuest Biological Science Collection</collection><collection>Agricultural Science Database</collection><collection>Health &amp; Medical Collection (Alumni Edition)</collection><collection>Medical Database</collection><collection>Algology Mycology and Protozoology Abstracts (Microbiology C)</collection><collection>Biological Science Database</collection><collection>Engineering Database</collection><collection>Nursing &amp; Allied Health Premium</collection><collection>Advanced Technologies &amp; Aerospace Database</collection><collection>ProQuest Advanced Technologies &amp; Aerospace Collection</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>Environmental Science Database</collection><collection>Materials Science Collection</collection><collection>Access via ProQuest (Open Access)</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>Environmental Science Collection</collection><collection>Genetics Abstracts</collection><collection>MEDLINE - 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>
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1932-6203
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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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