{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002945","ANALYSIS_ID":"AN004830","VERSION":"1","CREATED_ON":"August 8, 2023, 7:01 am"}, "PROJECT":{"PROJECT_TITLE":"Integrated gut metabolome and microbiome fingerprinting reveals that dysbiosis precedes allergic inflammation in IgE-mediated pediatric cow’s milk allergy","PROJECT_TYPE":"(un)targeted MS","PROJECT_SUMMARY":"Background: IgE-mediated cow’s milk allergy (IgE-CMA) is one of the first allergies to arise in early childhood and may result from exposure to various milk allergens, of which β-lactoglobulin (BLG) and casein are the most important. Understanding the underlying mechanisms behind IgE-CMA is imperative for the discovery of novel biomarkers and the design of innovative treatment and prevention strategies. Methods: We report a longitudinal in vivo murine model, in which 2 mice strains (BALB/c and C57Bl/6) were sensitized to BLG using either cholera toxin or an oil emulsion (n=6 per group). After sensitization, mice were challenged orally, their clinical signs monitored, antibody (IgE and IgG1) and cytokine levels (IL-4 and IFN-γ) measured, and fecal samples subjected to metabolomics. The results of the murine models were further supported by fecal microbiome-metabolome data from our population of IgE-CMA (n=24) and healthy (n=23) children (Trial: NCT04249973), on which polar metabolomics, lipidomics and 16S rRNA metasequencing were performed. In vitro gastrointestinal digestions and multi-omics corroborated the microbial origin of proposed metabolic changes. Results: During sensitization, we observed multiple microbially derived metabolic alterations, most importantly bile acid, energy and tryptophan metabolites, that preceded allergic inflammation. The latter was reflected in a disturbed sphingolipid metabolism. We confirmed microbial dysbiosis, and its causal effect on metabolic alterations in our patient cohort, which was accompanied by metabolic signatures of low-grade inflammation. Conclusion: Our results indicate that gut dysbiosis precedes allergic inflammation and nurtures a chronic low-grade inflammation in children on elimination diets, opening important new opportunities for future prevention and treatment strategies.","INSTITUTE":"Ghent University","DEPARTMENT":"Translational Physiology, Infectiology and Public Health","LABORATORY":"Laboratory for Integrative Metabolomics","LAST_NAME":"De Paepe","FIRST_NAME":"Ellen","ADDRESS":"Salisburylaan 133, Merelbeke, Oost-Vlaanderen, 9820, Belgium","EMAIL":"Ellen.DePaepe@UGent.be","PHONE":"0032479081098","FUNDING_SOURCE":"Fonds Wetenschappelijk Onderzoek"}, "STUDY":{"STUDY_TITLE":"Polar fecal metabolomics of a patient cohort","STUDY_SUMMARY":"This study is part of a multi-part study, including a. longitudinal polar fecal metabolomics of mice undergoing sensitization to beta-lactoglobulin b. polar fecal metabolomics of a patient cohort c. fecal lipidomics of a patient cohort d. polar urinary metabolomics of a patient cohort e. polar metabolomics of in vitro digestions This specific part is part b. polar fecal metabolomics of a patient cohort","INSTITUTE":"Ghent University","DEPARTMENT":"Department of Translational Physiology, Infectiology and Public Health","LABORATORY":"Laboratory for Integrative Metabolomics","LAST_NAME":"De Paepe","FIRST_NAME":"Ellen","ADDRESS":"Salisburylaan 133, 9820 Merelbeke, Belgium","EMAIL":"Ellen.DePaepe@UGent.be","STUDY_TYPE":"(un)targeted MS","PHONE":"0032479081098"}, "SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"< 5 years old","GENDER":"Male and female"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"-", "Sample ID":"1", "Factors":{"IgE CMA":"0","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se055","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"2", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se054","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"3", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se016","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"4", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se085","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"5", "Factors":{"IgE CMA":"0","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se051","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"6", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se032","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"7", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se041","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"8", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se045","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"9", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se044","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"10", "Factors":{"IgE CMA":"0","IgE other":"1","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se112","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"12", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se063","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"14", "Factors":{"IgE CMA":"0","IgE other":"1","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se052","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"16", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se067","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"18", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se017","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"20", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se042","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"21", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se072","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"22", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se065","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"24", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se059","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"25", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se090","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"26", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se103","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"27", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se109","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"28", "Factors":{"IgE CMA":"1","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se108","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"29", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se038","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"30", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se080","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"31", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se027","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"32", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se106","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"34", "Factors":{"IgE CMA":"0","IgE other":"1","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se011","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"35", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se020","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"36", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se012","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"37", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se091","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"38", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se107","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"39", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se056","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"40", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se110","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"41", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se025","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"42", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se058","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"43", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se068","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"44", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se014","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"45", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se082","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"49", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se071","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"50", "Factors":{"IgE CMA":"1","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se031","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"51", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se070","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"52", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se105","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"53", "Factors":{"IgE CMA":"1","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se102","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"54", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se030","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"56", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se069","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"57", "Factors":{"IgE CMA":"1","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se083","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"58", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se050","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"59", "Factors":{"IgE CMA":"1","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se039","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"60", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se096","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"64", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se084","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"65", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se018","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"68", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se094","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"70", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se037","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"72", "Factors":{"IgE CMA":"1","IgE other":"1","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se076","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"73", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se026","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"78", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se028","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"79", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se019","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"80", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se057","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"81", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se024","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"82", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se081","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"84", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se046","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"85", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se040","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"86", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se043","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"91", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se053","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"92", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se078","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"95", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se066","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"96", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se077","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"97", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se029","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"99", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se093","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"104", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se015","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"108", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se033","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"109", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se095","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"112", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se098","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"113", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se097","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"115", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"1"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se064","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"116", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se089","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"123", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"1","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se104","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"127", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se079","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"128", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se111","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"130", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"1","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se092","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"136", "Factors":{"IgE CMA":"1","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se013","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"10iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se074","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"11iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se086","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"12iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se087","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"13iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se099","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"14iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se100","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"15iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se113","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"16iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se114","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"1iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se021","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"2iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se022","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"3iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se034","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"4iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se035","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"5iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se047","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"6iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se048","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"7iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se060","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"8iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se061","Analysis type":"Polar metabolomics feces"} }, { "Subject ID":"-", "Sample ID":"9iQC", "Factors":{"IgE CMA":"0","IgE other":"0","non-IgE CMA":"0","Healthy":"0","Anaphylaxis":"0"}, "Additional sample data":{"RAW_FILE_NAME":"210601_se073","Analysis type":"Polar metabolomics feces"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Fecal samples were collected through spontaneous defecation in the diaper or using a Fecotainer® (AT Medical B.V., Enschede, The Netherlands). Samples were stored at -20 °C until pick-up (< 1 week). Following cooled transport (dry ice or icepacks), fecal samples were briefly stored at -80 °C, lyophilized, and homogenized in preparation for more long-term storage at -80 °C.","SAMPLE_TYPE":"Feces","COLLECTION_METHOD":"Spontaneous defecation","STORAGE_CONDITIONS":"-80℃"}, "TREATMENT":{"TREATMENT_SUMMARY":"No treatment was applied, patients were divided into 4 different control groups: - IgE-mediated cow''s milk allergy - other functional gastrointestinal disorder - IgE-mediated other food allergy - healthy brothers and sisters"}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"To extract the polar fecal metabolome, 200 mg of lyophilized homogenized feces was dissolved in 4 mL of ultrapure water, after the addition of 100 mL ISTD mixture (25 ng mL&1 of Dvaline- d8 and L-alanine-d3). Subsequent to 30 s of thorough vortexing, 1 mL of an ice-cold methanol and ultrapure water (80:20, v/ v) mixture was added. The supernatant of the solid-liquid extraction was collected after 1 min of vortexing and 10 min of rotation, followed by a 10-min centrifugation step (13 300 x g, at 4 %C). Next, the extract was passed over a polyamide filter (diameter of 25mm and pore size of 0.45 mm) (Machery-Nagel, Düren, Germany), diluted (1:3) with ultrapure water and transferred to a glass HPLCvial.","SAMPLEPREP_PROTOCOL_ID":"De_Paepe_et_al_2018.pdf","PROCESSING_STORAGE_CONDITIONS":"-80℃","SAMPLE_SPIKING":"Internal standard"}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um)","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% acetonitrile; 0.1% formic acid","FLOW_GRADIENT":"A gradient profile with following proportions (v/v) of solvent A was applied: 0e1.5 min at 98%, 1.5e7.0 min from 98% to 75%, 7.0e8.0 min from 75% to 40%, 8.0e12.0 min from 40% to 5%, 12.0e14.0 min at 5%, 14.0e14.1 min from 5 to 98%, followed by 4.0 min of re-equilibration.","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"45","METHODS_FILENAME":"De_Paepe_et_al_2018.pdf","INTERNAL_STANDARD":"L-alanine-d3, D-valine-d8","SAMPLE_INJECTION":"10 uL"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"De_Paepe_et_al_2018.pdf"}, "MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"MS acquisition: Xcalibur Targeted data processing: Xcalibur Untargeted data acquisition: Compound Discoverer, R studio","MS_RESULTS_FILE":"ST002945_AN004830_Results.txt UNITS:a.u. Has m/z:Neutral masses Has RT:Yes RT units:Minutes"} }