{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000877","ANALYSIS_ID":"AN001427","VERSION":"1","CREATED_ON":"October 24, 2017, 10:51 am"},

"PROJECT":{"PROJECT_TITLE":"Micronutrient deficiencies, environmental exposures and severe malaria: Risk factors for adverse neurodevelopmental outcomes in Ugandan children","PROJECT_TYPE":"NIH/NINDS R01 NS055349","PROJECT_SUMMARY":"Micronutrient deficiencies and environmental exposures have been to known to adversely impact brain and nervous system functions in adults and children worldwide. However, few studies have examined the short and long-term impact of these risk factors on neurodevelopmental outcomes in children in low-income countries, where the effects are likely to be more pronounced due to limited resources for monitoring and insufficient regulations. Biological risk factors of relevance include micronutrient deficiencies such as zinc and exposure to heavy metals such as lead and mercury. Studies have suggested an association between neurodevelopmental impairment and micronutrient deficiency as well as exposure to a number of heavy metals and environmental toxins. Moreover, findings also suggest that risk factors for adverse developmental outcomes that are independently significant may have the potential for causing cumulative increases in adverse effects. In Sub-Saharan Africa, severe malaria is a leading risk factor for long-term neurocognitive impairment in children. Zinc deficiency or exposure to heavy metals could influence risk of severe malaria, modify the risk of neurocognitive impairment in children with severe malaria, or independently affect risk of neurocognitive impairment. Untargeted analyses for potential environmental exposures or metabolomic changes in children with cerebral malaria vs. without cognitive impairment or in children with higher vs. lower cognitive scores, could also identify new risk factors for neurodevelopmental impairment in Ugandan children with cerebral malaria.In our completed study in Kampala, we assessed neurologic and developmental impairment in children with cerebral malaria [CM] or severe malarial anemia [SMA], as compared to health community children from the same extended household as the children with CM or SMA. As an extension of this study, we are interested in determining levels of micronutrients such as zinc in the population, and in addition, determining exposure levels of heavy metals (lead, mercury, copper, manganese etc.) in samples collected from children with severe malaria and community controls. The primary hypotheses of this study is that nutrient deficiencies or exposure to heavy metals influence short and long term neurocognitive outcomes in healthy community children and in children with severe malaria, and that children with cerebral malaria have specific metabolomic changes that relate to long-term neurocognitive impairment. The specific aims of our study are:Aim 1: To determine levels of zinc, heavy metals, and biomarkers associated with inflammation in children presenting with different forms of severe malaria (SM) and in healthy community children (CC). The working hypothesis of this aim is that 1) children with SM will have lower zinc levels compared to CC; 2) children with SM will present with higher toxic metal exposure and higher levels of biomarkers associated with inflammation than CC.Aim 2: To investigate how micronutrient deficiency, toxic metal exposure and inflammatory biomarkers affect short and long term neurodevelopmental outcomes and growth in children with severe malaria and community children (CC).The working hypothesis of this aim is that the lower levels of zinc, and presence of toxic metals in high concentrations will independently contribute to worsening neurodevelopmental outcomes and worsening growth over time in children with severe malaria and in community children. An alternate hypothesis is that micronutrient deficiency, toxic metal exposure and inflammatory states may interact with each other and with severe malaria to produce greater neurodevelopmental impairment, i.e., that the contribution is not independent but interactive.Aim 3: To determine whether the CSF metabolome differs according to level of neurodevelopmental impairment in children with cerebral malaria. The working hypothesis of this aim is that neurodevelopmental impairment in children with cerebral malaria is associated with changes in the CSF metabolome.","INSTITUTE":"Emory University School of Medicine","DEPARTMENT":"Division of Pulmonary, Allergy and Critical Care Medicine","LABORATORY":"Clinical Biomarkers Laboratory","LAST_NAME":"Walker","FIRST_NAME":"Douglas","ADDRESS":"615 Michael St. Ste 225, Atlanta, GA, 30322, USA","EMAIL":"douglas.walker@emory.edu","PHONE":"(404) 727 5984","FUNDING_SOURCE":"NIEHS ES026560","CONTRIBUTORS":"Chandy C. John, Indiana University School of Medicine; Dibyadyuti Datta, Indiana University; Robert Opoka, Makerere University-Mulago Hospital; Dean P. Jones, Emory University School of Medicine; Karan Uppal, Emory University School of Medicine"},

"STUDY":{"STUDY_TITLE":"Micronutrient deficiencies, environmental exposures and severe malaria: Risk factors for adverse neurodevelopmental outcomes in Ugandan children","STUDY_TYPE":"Untargeted high-resolution mass spectrometry profiling","STUDY_SUMMARY":"Micronutrient deficiencies and environmental exposures have been to known to adversely impact brain and nervous system functions in adults and children worldwide. However, few studies have examined the short and long-term impact of these risk factors on neurodevelopmental outcomes in children in low-income countries, where the effects are likely to be more pronounced due to limited resources for monitoring and insufficient regulations. Biological risk factors of relevance include micronutrient deficiencies such as zinc and exposure to heavy metals such as lead and mercury. Studies have suggested an association between neurodevelopmental impairment and micronutrient deficiency as well as exposure to a number of heavy metals and environmental toxins. Moreover, findings also suggest that risk factors for adverse developmental outcomes that are independently significant may have the potential for causing cumulative increases in adverse effects. In Sub-Saharan Africa, severe malaria is a leading risk factor for long-term neurocognitive impairment in children. Zinc deficiency or exposure to heavy metals could influence risk of severe malaria, modify the risk of neurocognitive impairment in children with severe malaria, or independently affect risk of neurocognitive impairment. Untargeted analyses for potential environmental exposures or metabolomic changes in children with cerebral malaria vs. without cognitive impairment or in children with higher vs. lower cognitive scores, could also identify new risk factors for neurodevelopmental impairment in Ugandan children with cerebral malaria.In our completed study in Kampala, we assessed neurologic and developmental impairment in children with cerebral malaria [CM] or severe malarial anemia [SMA], as compared to health community children from the same extended household as the children with CM or SMA. As an extension of this study, we are interested in determining levels of micronutrients such as zinc in the population, and in addition, determining exposure levels of heavy metals (lead, mercury, copper, manganese etc.) in samples collected from children with severe malaria and community controls. The primary hypotheses of this study is that nutrient deficiencies or exposure to heavy metals influence short and long term neurocognitive outcomes in healthy community children and in children with severe malaria, and that children with cerebral malaria have specific metabolomic changes that relate to long-term neurocognitive impairment. The specific aims of our study are:Aim 1: To determine levels of zinc, heavy metals, and biomarkers associated with inflammation in children presenting with different forms of severe malaria (SM) and in healthy community children (CC). The working hypothesis of this aim is that 1) children with SM will have lower zinc levels compared to CC; 2) children with SM will present with higher toxic metal exposure and higher levels of biomarkers associated with inflammation than CC.Aim 2: To investigate how micronutrient deficiency, toxic metal exposure and inflammatory biomarkers affect short and long term neurodevelopmental outcomes and growth in children with severe malaria and community children (CC).The working hypothesis of this aim is that the lower levels of zinc, and presence of toxic metals in high concentrations will independently contribute to worsening neurodevelopmental outcomes and worsening growth over time in children with severe malaria and in community children. An alternate hypothesis is that micronutrient deficiency, toxic metal exposure and inflammatory states may interact with each other and with severe malaria to produce greater neurodevelopmental impairment, i.e., that the contribution is not independent but interactive.Aim 3: To determine whether the CSF metabolome differs according to level of neurodevelopmental impairment in children with cerebral malaria. The working hypothesis of this aim is that neurodevelopmental impairment in children with cerebral malaria is associated with changes in the CSF metabolome.","INSTITUTE":"Emory University School of Medicine","DEPARTMENT":"Division of Pulmonary, Allergy and Critical Care Medicine","LABORATORY":"Clincal Biomarkers Laboratory","LAST_NAME":"Walker","FIRST_NAME":"Douglas","ADDRESS":"615 Michael St. Ste 225, Atlanta, GA, 30322, USA","EMAIL":"douglas.walker@emory.edu","PHONE":"(404) 727 5984","TOTAL_SUBJECTS":"141","STUDY_COMMENTS":"CSF pools from elderly individuals included for QA/QC. Study specific pools were not created due to limited sample volumes provided (<100uL)."},

"SUBJECT":{"SUBJECT_TYPE":"Cerebrospinal Fluid","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"Pediatric samples","HUMAN_TRIAL_TYPE":"Observational"},
"SUBJECT_SAMPLE_FACTORS":[
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"Subject ID":"-",
"Sample ID":"nist1",
"Factors":{"Sample Type":"NIST SRM 1950"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1473","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"q3June2014_1a",
"Factors":{"Sample Type":"Q-Std Plasma pool"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1475","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"chearplasma_1a",
"Factors":{"Sample Type":"CHEAR Plasma"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1433","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"chearplasma_1b",
"Factors":{"Sample Type":"CHEAR Plasma"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1434","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"csfpool_1a",
"Factors":{"Sample Type":"CSF Pool"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1449","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"csfpool_1b",
"Factors":{"Sample Type":"CSF Pool"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1450","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z9710-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"3","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"A","Specimen_Container_Column":"1","Specimen_Container_Position":"A, 1","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"1613975","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z6TH7-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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{
"Subject ID":"-",
"Sample ID":"C-Z6KC7-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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{
"Subject ID":"-",
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"Factors":{"Sample Type":"CSF Study Sample"},
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},
{
"Subject ID":"-",
"Sample ID":"C-Z5C40-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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},
{
"Subject ID":"-",
"Sample ID":"C-Z4VY2-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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},
{
"Subject ID":"-",
"Sample ID":"C-Z4P81-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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},
{
"Subject ID":"-",
"Sample ID":"C-Z4GT8-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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},
{
"Subject ID":"-",
"Sample ID":"C-Z37B6-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
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},
{
"Subject ID":"-",
"Sample ID":"C-Z2NR0-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"3","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"B","Specimen_Container_Column":"1","Specimen_Container_Position":"B, 1","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"7839921","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z2KL6-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"2","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"B","Specimen_Container_Column":"2","Specimen_Container_Position":"B, 2","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"8761306","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z1J67-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"3","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"B","Specimen_Container_Column":"3","Specimen_Container_Position":"B, 3","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"6676217","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z1F87-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"5","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"B","Specimen_Container_Column":"4","Specimen_Container_Position":"B, 4","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"3242377","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z0SF5-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"2","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"B","Specimen_Container_Column":"5","Specimen_Container_Position":"B, 5","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"9773367","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z0FN0-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170824","Batch":"1","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"3","Specimen_Container_Name":"John_Lab_CSF_BOX1/2","Specimen_Container_Row":"B","Specimen_Container_Column":"6","Specimen_Container_Position":"B, 6","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX1/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"6826929","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
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{
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{
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{
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{
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"Sample ID":"C-WPSW1-CF-00",
"Factors":{"Sample Type":"CSF Study Sample"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Study","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"8/21/17 15:49","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"2","Specimen_Container_Name":"John_Lab_CSF_BOX2/2","Specimen_Container_Row":"G","Specimen_Container_Column":"6","Specimen_Container_Position":"G, 6","Specimen_Container_Hierarchy":"John_Lab_CSF_BOX2/2 -> Jones_A_-80 -> R1_SH5_Jones_A_-80","Specimen_Freezer":"Jones_A_-80","Specimen_Received_Date":"8/21/17 15:49","Specimen_CHEAR_Additional_Fields_PID":"2363257","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1432","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"csfpool_4e",
"Factors":{"Sample Type":"CSF Pool"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1471","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"csfpool_4f",
"Factors":{"Sample Type":"CSF Pool"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Cerebrospinal Fluid","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1472","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"chearplasma_4c",
"Factors":{"Sample Type":"CHEAR Plasma"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1447","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"chearplasma_4d",
"Factors":{"Sample Type":"CHEAR Plasma"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1448","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"q3June2014_4b",
"Factors":{"Sample Type":"Q-Std Plasma pool"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1482","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
},
{
"Subject ID":"-",
"Sample ID":"nist2",
"Factors":{"Sample Type":"NIST SRM 1950"},
"Additional sample data":{"Date Analyzed":"170827","Batch":"4","HRM_Sample_Type":"Quality Control","Specimen_Class":"Fluid","Specimen_Type":"Plasma","Specimen_Created_On":"NA","Specimen_Comments":"NA","Specimen_Freeze.Thaw_Cycles":"NA","Specimen_Container_Name":"NA","Specimen_Container_Row":"NA","Specimen_Container_Column":"NA","Specimen_Container_Position":"NA","Specimen_Container_Hierarchy":"NA","Specimen_Freezer":"NA","Specimen_Received_Date":"NA","Specimen_CHEAR_Additional_Fields_PID":"NA","Specimen_CHEAR_Additional_Fields_Study_ID":"2016-1474","Specimen_CHEAR_Additional_Fields_Analyses":"META","Specimen_CHEAR_Additional_Fields_Lab_Hub":"Jones"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Please contact project PI, Chandy John (chjohn@iu.edu), for sample collection details.","SAMPLE_TYPE":"Cerebrospinal Fluid"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples were received frozen in aliquouts of <100uL. Freeze-thaw history for study samples prior to receipt by the Emory URR is provided in the Study Design section. Prior to analysis, samples were thawed and prepared for HRM analysis using the standard protocols described in the Sample Preparation section."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were prepared for metabolomics analysis using established methods (Johnson et al. (2010). Analyst; Go et al. (2015). Tox Sci). Prior to analysis, urine aliquots were removed from storage at -80°C and thawed on ice. Each cryotube was then vortexed briefly to ensure homogeneity, and 50 μL was transferred to a clean microfuge tube. Immediately after, the urine was treated with 100 μL of ice-cold LC-MS grade acetonitrile (Sigma Aldrich) containing 2.5 μL of internal standard solution with eight stable isotopic chemicals selected to cover a range of chemical properties. Following addition of acetonitrile, urine was equilibrated for 30 min on ice, upon which precipitated proteins were removed by centrifuge (16.1 ×g at 4°C for 10 min). The resulting supernatant (100 μL) was removed, added to a low volume autosampler vial and maintained at 4°C until analysis (<22 h).","SAMPLEPREP_PROTOCOL_ID":"HRM_SP_082016_01","SAMPLEPREP_PROTOCOL_FILENAME":"EmoryUniversity_HRM_SP_082016_01.pdf","SAMPLEPREP_PROTOCOL_COMMENTS":"Date effective: 30 July 2016","EXTRACTION_METHOD":"2:1 acetonitrile: sample followed by vortexing and centrifugation","SAMPLE_SPIKING":"2.5 uL [13C6]-D-glucose, [15N,13C5]-L-methionine, [13C5]-L-glutamic acid, [15N]-L-tyrosine, [3,3-13C2]-cystine, [trimethyl-13C3]-caffeine, [U-13C5, U-15N2]-L-glutamine, [15N]-indole"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The C18 column is operated parallel to the HILIC column for simultaneous analytical separation and column flushing through the use of a dual head HPLC pump equipped with 10-port and 6-port switching valves. During operation of the C18 method, the MS is operated in negative ion mode and 10 μL of sample is injected onto the C18 column while the HILIC column is flushing with wash solution. Flow rate is maintained at 0.4 mL/min until 1.5 min, increased to 0.5 mL/min at 2 min and held for 3 min. Solvent A is 100% LC-MS grade water, solvent B is 100% LC-MS grade acetonitrile and solvent C is 10mM ammonium acetate in LC-MS grade water. Initial mobile phase conditions are 60% A, 35% B, 5% C hold for 0.5 min, with linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3.5 min, resulting in a total analytical run time of 5 min. During the flushing phase (HILIC analytical separation), the C18 column is equilibrated with a wash solution of 0% A, 95% B, 5% C until 2.5 min, followed by an equilibration solution of 60% A, 35% B, 5% C for 2.5 min.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","COLUMN_NAME":"Thermo Higgins C18 (50 x 2.1mm, 3um) with Thermo Accucore C18 guard column","FLOW_GRADIENT":"A= water, B= acetontrile, C= 10mM ammonium acetate in water; 60% A, 35% B, 5% C hold for 0.5 min, linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3 min","FLOW_RATE":"0.4 mL/min for 1.5 min; linear increase to 0.5 mL/min at 2 min held for 3 min","COLUMN_TEMPERATURE":"60C","METHODS_FILENAME":"20160920_negC18120kres5min_ESI_HILICposwash.meth","SOLVENT_A":"LC-MS grade water","SOLVENT_B":"LC-MS grade acetonitrile","METHODS_ID":"10mM ammonium acetate in LC-MS grade water","SAMPLE_INJECTION":"10 uL","ANALYTICAL_TIME":"5 min","SAMPLE_LOOP_SIZE":"15 uL","SAMPLE_SYRINGE_SIZE":"100 uL","CHROMATOGRAPHY_COMMENTS":"Triplicate injections for each chromatography mode"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Clinical Biomarkers Laboratory","OPERATOR_NAME":"Vilinh Tran","DETECTOR_TYPE":"Obitrap","SOFTWARE_VERSION":"Xcalibur 3.0.63","ACQUISITION_DATE":"January 2015","ANALYSIS_PROTOCOL_FILE":"EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf","DATA_FORMAT":"Profile"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","CAPILLARY_TEMPERATURE":"250C","COLLISION_GAS":"N2","DRY_GAS_FLOW":"45","DRY_GAS_TEMP":"150C","MASS_ACCURACY":"< 3ppm","SPRAY_VOLTAGE":"-4000","ACTIVATION_PARAMETER":"5e5","ACTIVATION_TIME":"118ms","INTERFACE_VOLTAGE":"S-Lens RF level= 55","RESOLUTION_SETTING":"120,000","SCANNING_RANGE":"85-1275","MS_RESULTS_FILE":"ST000877_AN001427_Results.txt UNITS:Peak intensity"}

}