{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002355","ANALYSIS_ID":"AN003846","VERSION":"1","CREATED_ON":"November 22, 2022, 1:09 pm"},

"PROJECT":{"PROJECT_TITLE":"Stool metabolites in peanut allergy","PROJECT_SUMMARY":"Rising rates of peanut allergy motivate investigations of its development to inform prevention and therapy. Microbiota and the metabolites they produce shape food allergy risk. We performed a longitudinal, multi-center, integrative study of the gut microbiome and metabolome of 122 infants with allergy risk factors but no peanut allergy who were followed through mid childhood. 28.7% of infants developed peanut allergy by mid-childhood. Lower infant gut microbiome diversity was associated with peanut allergy development (P=0.014). Peanut allergy-bound children had different abundance trajectories of Clostridium sensu stricto 1 sp. (FDR=0.015) and Bifidobacterium sp. (FDR=0.033), with butyrate (FDR=0.045) and isovalerate (FDR=0.036) decreasing over time. Metabolites associated with peanut allergy development clustered within the histidine metabolism pathway. Positive correlations between microbiota, butyrate, and isovalerate and negative correlations with histamine marked the peanut allergy free network. The temporal dynamics of the gut microbiome and metabolome in early childhood are distinct for children who develop peanut allergy.","INSTITUTE":"Icahn School of Medicine at Mount Sinai","LAST_NAME":"Bunyavanich","FIRST_NAME":"Supinda","ADDRESS":"1 Gustave L. Levy Pl, New York, NY 10029","EMAIL":"supinda.bunyavanich@mssm.edu","PHONE":"212-241-5548"},

"STUDY":{"STUDY_TITLE":"Stool short chain fatty acid (SCFA) levels in peanut allergy","STUDY_SUMMARY":"Prior evidence supports differential levels of short chain fatty acids in the stool of human beings with allergy and murine models of allergy. Here we performed a targeted study of selected short chain fatty acid levels in stool samples collected from children with allergy risk factors. Sample processing included homogenization of stool samples, inclusion of internal standards, and derivitization for liquid chromatography tandem mass spectrometry.","INSTITUTE":"Icahn School of Medicine at Mount Sinai","LAST_NAME":"Bunyavanich","FIRST_NAME":"Supinda","ADDRESS":"1 Gustave L. Levy Pl, New York, NY 10029","EMAIL":"supinda.bunyavanich@mssm.edu","PHONE":"Stool metabolite levels in individuals with peanut allergy were measured."},

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},
{
"Subject ID":"-",
"Sample ID":"120091111",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12530"}
},
{
"Subject ID":"-",
"Sample ID":"100004422",
"Factors":{"Treatment":"control_infant"},
"Additional sample data":{"RAW_FILE_NAME":"S12531"}
},
{
"Subject ID":"-",
"Sample ID":"120091174",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12533"}
},
{
"Subject ID":"-",
"Sample ID":"120091036",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12536"}
},
{
"Subject ID":"-",
"Sample ID":"120091173",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12538"}
},
{
"Subject ID":"-",
"Sample ID":"100003162",
"Factors":{"Treatment":"control_infant"},
"Additional sample data":{"RAW_FILE_NAME":"S12539"}
},
{
"Subject ID":"-",
"Sample ID":"120091003",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12542"}
},
{
"Subject ID":"-",
"Sample ID":"120091096",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12546"}
},
{
"Subject ID":"-",
"Sample ID":"120091025",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12551"}
},
{
"Subject ID":"-",
"Sample ID":"120091052",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12557"}
},
{
"Subject ID":"-",
"Sample ID":"120091019",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12560"}
},
{
"Subject ID":"-",
"Sample ID":"120091179",
"Factors":{"Treatment":"peanut allergy_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12561"}
},
{
"Subject ID":"-",
"Sample ID":"120091121",
"Factors":{"Treatment":"control_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12565"}
},
{
"Subject ID":"-",
"Sample ID":"100002095",
"Factors":{"Treatment":"control_infant"},
"Additional sample data":{"RAW_FILE_NAME":"S12569"}
},
{
"Subject ID":"-",
"Sample ID":"120091001",
"Factors":{"Treatment":"peanut allergy_mid-childhood"},
"Additional sample data":{"RAW_FILE_NAME":"S12573"}
},
{
"Subject ID":"-",
"Sample ID":"100002101",
"Factors":{"Treatment":"control_infant"},
"Additional sample data":{"RAW_FILE_NAME":"S12576"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Participants of this study included 122 children from the multi-center NIAID Consortium for Food Allergy Research (CoFAR) Observational Study (CoFAR2) who provided stool samples at both infancy and mid-childhood (these are the factors listed in the table). The recruitment and clinical characteristics of these CoFAR2 subjects have been previously described. Briefly, 511 children were recruited at age 3 to 15 months from five US sites (New York, NY, Baltimore, MD, Little Rock, AR, Denver, CO, Durham, NC).16 The cohort was designed as a longitudinal study of infants at high risk for developing peanut allergy, and inclusion criteria included likely egg allergy, milk allergy, and/or moderate to severe atopic dermatitis with a positive egg and/or milk skin prick test at enrollment, but no known peanut allergy. 16 Clinical phenotyping of the subjects, including assessments of peanut allergy, egg allergy, milk allergy, and atopic dermatitis, were performed at 6-12 month intervals between enrollment at infancy and mid-childhood (mean age 9 years, SD 0.6 years). All subjects provided stool samples at baseline and were invited to submit a follow up sample at mid-childhood. Stool samples were collected from 492 of the children at baseline and from 122 of the children at mid-childhood. Samples were immediately stored at -80 o C upon receipt.","SAMPLE_TYPE":"Feces"},

"TREATMENT":{"TREATMENT_SUMMARY":"Children were categorized as PA if they developed peanut allergy by mid-childhood and not peanut allergic (NPA) if they did not develop peanut allergy by mid-childhood. In study design table, subjects were sampled in infancy and then again mid childhood and placed into either PA or NPA for the purpose of this study. Peanut allergy was defined based on: (1) confirmed IgE-mediated reaction (e.g. positive doctor supervised oral food challenge to peanut and sensitization to peanut), or (2) convincing IgEmediated reaction (e.g. convincing reaction and sensitization to peanut) at any visit.16 This was “alternate definition 1” of the parent CoFAR2 study16 . We used this definition rather than the main definition to avoid inclusion of less convincing peanut allergy in case ascertainment, as the main definition16 also included those with peanut sensitization but no history of reaction."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Stool samples were weighed into bead blaster tubes with zircon beads and homogenized in 100% methanol to a final concentration of 10mg/mL including deuterated SCFA internal standards Chun et al. p.22 (CDN Isotopes). 46 Control samples were created by combining sample homogenates into a 1mL of pooled sample (pooled control) or 1mL of methanol (instrument blank). A portion of the pooled control was then subjected to three successive rounds of extraction to deplete SCFAs but retain the insoluble particles to generate null matrix material. A standard curve for the cocktail of SCFAs was prepared in null matrix, and these samples were extracted side-by-side with the study samples and sequence blanks (either methanol or null matrix). The resulting SCFA extracts were then derivatized as described47 for liquid chromatography tandem mass spectrometry (LCMS) with methanol being used instead of acetonitrile. Samples were analyzed with a QExactive HF coupled to a Dionex Ultimate 3000. A Waters BEH C18 column (2.1 x 150mm, 1.7µm) was used with Buffer A as 0.1% formic acid in water, and Buffer B as 0.1%formic acid in acetonitrile. A gradient elution was used (15%B to 55%B in 9 min, 200µL/min) and the mass spectrometer was operated in negative ion mode (HESI, -3.5kV). The order of acquisition was randomized and several control blocks including blanks and external standards were interspersed throughout the run to assess instrument performance and quality control of the derivatization protocol. All analytes were corrected to their respective internal standard, and the resulting ratio was interpolated against the matrix-controlled standard curve to quantify the level of SCFA in each sample. The limit of detection was determined from null-matrix samples for each analyte, and this limit was imputed for any point falling below the limit of detection. The interpolated values were used for the downstream analyses, and the imputed ratio threshold values were used for samples below the limit of detection."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Previously derivatized short chain fatty acids were separated using RP column in a targeted method. Intrinsic background was accessed by using derivatized blanks and null matrix blanks. Analytes were detected by direct coupling to MS in a targeted PRM method.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000 RS","COLUMN_NAME":"Waters Acquity BEH C18 (150 x 2mm, 1.7um)","SOLVENT_A":"water and 0.1% formic acid","SOLVENT_B":"acetonitrile and 0.1% formic acid"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"All analytes were corrected to their respective internal standard, and the resulting ratio was interpolated against the matrix-controlled standard curve to quantify the level of SCFA in each sample. The limit of detection was determined from null-matrix samples for each analyte, and this limit was imputed for any point falling below the limit of detection. The interpolated values were used for the downstream analyses, and the imputed ratio threshold values were used for samples below the limit of detection"},

"MS_METABOLITE_DATA":{
"Units":"Absolute Intensity",

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}

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