{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001171","ANALYSIS_ID":"AN001936","VERSION":"1","CREATED_ON":"April 17, 2019, 2:30 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics of World Trade Center Exposed New York City Firefighters","PROJECT_TYPE":"C18 Reversed-Phase Broad Spectrum Metabolomics","PROJECT_SUMMARY":"Particulate matter (PM) exposure and metabolic syndrome (MetSyn) coexist in both industrialized and developing nations. PM and MetSyn are strong risk factors for chronic obstructive pulmonary disease (COPD) and asthma. After the World Trade Center collapse in 9/11/2001, PM-exposed individuals from the Fire Department of New York City (FDNY) developed a progressively lung disease. This nested case-cohort study is composed of never smoking, WTC exposed firefighters with normal pre-9/11 lung function presenting for subspecialty pulmonary evaluation (SPE) before March 2008. Representative cohort controls with serum drawn within six months of 9/11 (n=100). FEV1 at subspecialty exam defined cases: susceptible World Trade Center Lung Injury (WTC-LI) cases (n=50) had FEV1< lower limit of normal (LLN) and resistant WTC-LI cases with FEV1 ≥107% predicted (n=50). This study will determine the metabolomics profile that differentiates firefighters with WTC-LI, firefighters resistant to WTC-LI, and similarly exposed cohort controls.","INSTITUTE":"University of North Carolina","DEPARTMENT":"Nutrition Research Institute","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"Eastern Regional Comprehensive Metabolomics Resource Core, UNC Nutrition Research Institute, 500 Laureate Way, Kannapolis, NC, 28081","EMAIL":"susan_sumner @unc.edu","PHONE":"704-250-5066"},

"STUDY":{"STUDY_TITLE":"Metabolomics of World Trade Center Exposed New York City Firefighters","STUDY_TYPE":"C18 Reversed-Phase Broad Spectrum Metabolomics","STUDY_SUMMARY":"Particulate matter (PM) exposure and metabolic syndrome (MetSyn) coexist in both industrialized and developing nations. PM and MetSyn are strong risk factors for chronic obstructive pulmonary disease (COPD) and asthma. After the World Trade Center collapse in 9/11/2001, PM-exposed individuals from the Fire Department of New York City (FDNY) developed a progressively lung disease. This nested case-cohort study is composed of never smoking, WTC exposed firefighters with normal pre-9/11 lung function presenting for subspecialty pulmonary evaluation (SPE) before March 2008. Representative cohort controls with serum drawn within six months of 9/11 (n=100). FEV1 at subspecialty exam defined cases: susceptible World Trade Center Lung Injury (WTC-LI) cases (n=50) had FEV1< lower limit of normal (LLN) and resistant WTC-LI cases with FEV1 ≥107% predicted (n=50). This study will determine the metabolomics profile that differentiates firefighters with WTC-LI, firefighters resistant to WTC-LI, and similarly exposed cohort controls.","INSTITUTE":"New York University","DEPARTMENT":"School of Medicine","LABORATORY":"Laboratory at NYU/Bellevue","LAST_NAME":"Nolan","FIRST_NAME":"Anna","ADDRESS":"Academic office 462 1st Avenue, New Bellevue 16, S 16(Office)/ N 20 (Lab) New York, NY 10016","EMAIL":"anna.nolan@nyulangone.org","PHONE":"212-263-7283","NUM_GROUPS":"3","TOTAL_SUBJECTS":"224, 200 study samples, 24 pools","NUM_MALES":"200"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"30-60","GENDER":"Male"},
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{
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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{
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{
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{
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{
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"Factors":{"Age Group":"[50-60) yrs","Group":"WTC-LI"},
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{
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"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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{
"Subject ID":"-",
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{
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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{
"Subject ID":"-",
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"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_25",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_26",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_27",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Resistant"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Resistant"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[40-50) yrs","Group":"Resistant"},
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},
{
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},
{
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{
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{
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{
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},
{
"Subject ID":"-",
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"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
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},
{
"Subject ID":"-",
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},
{
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},
{
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},
{
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},
{
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},
{
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{
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{
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},
{
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{
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{
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},
{
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
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{
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},
{
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},
{
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},
{
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},
{
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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},
{
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{
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},
{
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},
{
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{
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},
{
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[50-60) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[40-50) yrs","Group":"Resistant"},
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},
{
"Subject ID":"-",
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"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
"Sample ID":"S_76",
"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_77",
"Factors":{"Age Group":"[30-40) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_78",
"Factors":{"Age Group":"[30-40) yrs","Group":"Resistant"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_79",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_8",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_80",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_81",
"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_82",
"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_83",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
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},
{
"Subject ID":"-",
"Sample ID":"S_84",
"Factors":{"Age Group":"[60-70) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_85",
"Factors":{"Age Group":"[40-50) yrs","Group":"Resistant"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_86",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_87",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_88",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_89",
"Factors":{"Age Group":"[30-40) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_9",
"Factors":{"Age Group":"[30-40) yrs","Group":"Resistant"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_90",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_91",
"Factors":{"Age Group":"[20,30) yrs","Group":"Resistant"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_92",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_93",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_94",
"Factors":{"Age Group":"[20,30) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_95",
"Factors":{"Age Group":"[40-50) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_96",
"Factors":{"Age Group":"[30-40) yrs","Group":"Control"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_97",
"Factors":{"Age Group":"[30-40) yrs","Group":"Resistant"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_98",
"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"S_99",
"Factors":{"Age Group":"[40-50) yrs","Group":"WTC-LI"},
"Additional sample data":{"Sex":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"SP_1",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_10",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_11",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_12",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_13",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_14",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_15",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_16",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_17",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_18",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_19",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_2",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_20",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_21",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_22",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_23",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_24",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_3",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_4",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_5",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_6",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_7",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_8",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"SP_9",
"Factors":{"Age Group":"Sample pool","Group":"Sample pool"},
"Additional sample data":{"Sex":"Sample pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_1",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_10",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_11",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_12",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_13",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_14",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_15",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_16",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_17",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_18",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_19",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_2",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_20",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_21",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_22",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_23",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_24",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_3",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_4",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_5",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_6",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_7",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_8",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
},
{
"Subject ID":"-",
"Sample ID":"CP_9",
"Factors":{"Age Group":"Chear pool","Group":"Chear pool"},
"Additional sample data":{"Sex":"Chear pool"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Fasting blood drawn","SAMPLE_TYPE":"Blood (serum)","COLLECTION_LOCATION":"Bureau of Health Services (BHS) and the FDNY Headquarters, (9 Metrotech Center, Brooklyn, NY)","COLLECTION_DURATION":"6 month after 9/11/2001 and once at 2008","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"No available"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The Fire Department of New York City (FDNY) serum sampling occurred at the Bureau of Health Services (BHS) and the FDNY Headquarters (9 Metrotech Center, Brooklyn, NY). Serum processing and analysis occurred in the PI’s Laboratory at New York University /Bellevue. The specimens were stored in the New York University-The Fire Department of New York City- World Trade Center Lung Injury Biorepository (NYU-FDNY WTC) in Dr. Nolan’s laboratory. Each stored specimen was labeled with a unique code. This unique code on the sample was linked to a specific subject. Samples were stored in -80 oC and shipped to the Eastern Regional Comprehensive Metabolomics Resource Core (ERCMRC) on dry ice. Table 1 lists the sample ID and associated metadata provided. Serum samples were thawed at 4 °C overnight. All samples were vortexed via multiple tube vortex mixer for 2 min at 3000 rpm. Serum samples were centrifuged at 1000 rpm for 30 sec. A volume of 8 µL aliquot of each studied samples was transferred into a 10.0 mL tube to make the Study Pool (SP). A volume of 1500 µL of CHEAR Reference Plasma was used for the CHEAR Pool (CP). An aliquot of 50 µL serum (including experimental samples, SP, and CP) was transferred to a new, pre-labeled Lo-Bind Eppendorf tube. There were total 200 experimental samples, 24 SP samples, and 24 CP samples in this study. The samples were extracted by 400 µL methanol with 500 ng/ml tryptophan-d5 as internal standard via a multiple tube vortex mixer for 2 min at 5000 rpm. Protein precipitate was pelleted using a centrifuge operating at room temperature for 4 min at 16,000 rcf. A volume of 350 µl of the supernatant was transferred into a pre-labeled 2.0 ml Low-bind Eppendorf tube, and then dried by a SpeedVac overnight. For immediate analysis, 100 µL of water-methanol solution (95:5, v/v) was added to reconstitute the dried extracts, and the samples were thoroughly mixed on multiple tube vortex mixer for 10 min at 5000 rpm. Samples were centrifuged at 4°C for 4 min at 16,000 rcf. The supernatant was transferred to pre-labeled autosampler vials for data acquisition by LC-MS. Broad-spectrum metabolomics was conducted using a Thermo Scientific™ Vanquish™ UPHPLC - Q Exactive™ HF-X Orbitrap System. Metabolites were separated on an Acquity UPLC HSS T3 C18 (2.1 X 100 mm, 1.8 µm) operating at 50 C using a reversed phase gradient separation with Water with 0.1% Formic Acid (v/v) as mobile phase A and Methanol with 0.1% Formic Acid (v/v) as mobile phase B. A 5 µL was injected into the instrument, and MS was collected between 50-750 m/z in positive mode with the MS/MS data triggered by the Data-Dependent Acquisition.","EXTRACTION_METHOD":"Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"Water-Methanol (95:5, v/v)","SAMPLE_SPIKING":"Tryptophan-d5"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)","FLOW_GRADIENT":"Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"50","SOLVENT_A":"Water with 0.1% Formic Acid","SOLVENT_B":"Methanol with 0.1% Formic Acid","INJECTION_TEMPERATURE":"8","INTERNAL_STANDARD":"Tryptophan-d5"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","OPERATOR_NAME":"Hossein Maleki","DETECTOR_TYPE":"Orbitrap","SOFTWARE_VERSION":"Xcarlibur 4.1.31.9","ACQUISITION_DATE":"7/20/2018","DATA_FORMAT":"Profile"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"LC-MS/MS data was acquired by data dependent acquisition;Progenesis QI was used to process the raw data.","ACQUISITION_DATE":"7/20/2018","CAPILLARY_TEMPERATURE":"275 oC","CAPILLARY_VOLTAGE":"3.75 kV","COLLISION_ENERGY":"20, 30, 45","COLLISION_GAS":"N2","DRY_GAS_FLOW":"45 arbitary unit","DRY_GAS_TEMP":"325 oC","FRAGMENTATION_METHOD":"CID","GAS_PRESSURE":"45 arbitary unit","ION_SOURCE_TEMPERATURE":"325 oC","ION_SPRAY_VOLTAGE":"3.75 kV","IONIZATION":"ESI","IONIZATION_POTENTIAL":"positive","MASS_ACCURACY":"5ppm","SOURCE_TEMPERATURE":"325 oC","SPRAY_VOLTAGE":"3.75 kV","RESOLUTION_SETTING":"120000","SCAN_RANGE_MOVERZ":"70-1050 m/z","SCANNING_RANGE":"70-1050 m/z","MS_RESULTS_FILE":"ST001171_AN001936_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}