{
"METABOLOMICS WORKBENCH":{"VERSION":"1","CREATED_ON":"August 1, 2023, 1:47 pm"},

"PROJECT":{"PROJECT_TITLE":"Predator Cues Target Signaling Pathways in Toxic Algal Metabolome Protocol","PROJECT_SUMMARY":"Early detection of predators is critical to the survival of all living organisms. For phytoplankton, recognition and response to chemical cues from predators, as evidence of predation risk, is particularly crucial. The phytoplankton Alexandrium minutum upregulates its toxicity when exposed to copepodamides, a suite of compounds released by copepod predators. However, how A. minutum perceives these predatory cues and what metabolic pathways are involved in initiating toxin induction remains unknown. In this study LC/MS and NMR-based metabolomics uncovered subtle physiological responses of A. minutum to copepodamides, including dysregulation of valine biosynthesis and enhancement of butanoate metabolism and arginine biosynthesis. While we have yet to identify a chemoreceptor directly activated by copepod cues, based on the results of inhibition experiments detection of copepodamides appears to disrupt the activity of serine/threonine phosphatases leading to increased jasmonic acid biosynthesis and signaling, which leads to amplified gonyautoxin biosynthesis in A. minutum. This study is an important step toward a better understanding of chemosensory ecology of predator-prey interactions in phytoplankton.","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"Brown","FIRST_NAME":"Emily","ADDRESS":"950 Atlantic Drive, Atlanta GA 30332","EMAIL":"emily.brown@gatech.edu","PHONE":"404-894-8424"},

"STUDY":{"STUDY_TITLE":"LC-MS for Predator Cues Target Signaling Pathways in Toxic Algal Metabolome Protocol","STUDY_SUMMARY":"Metabolomics investigation of the phytoplankton Alexandrium minutum with and without copepod cues in order to explore cell signaling involved in toxin induction.","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"Brown","FIRST_NAME":"Emily","ADDRESS":"950 Atlantic Drive, Atlanta GA 30332","EMAIL":"emily.brown@gatech.edu","PHONE":"404-894-8424"},

"SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Alexandrium minutum","TAXONOMY_ID":"-"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Aq_Control_01",
"Factors":{"Factor":"no exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_Control_01"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_Control_02",
"Factors":{"Factor":"no exposure"},
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{
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"Sample ID":"Aq_Control_03",
"Factors":{"Factor":"no exposure"},
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},
{
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"Sample ID":"Aq_Control_04",
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"Sample ID":"Aq_Control_05",
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{
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"Sample ID":"Aq_Control_06",
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"Sample ID":"Aq_Control_07",
"Factors":{"Factor":"no exposure"},
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"Sample ID":"Aq_Control_08",
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{
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{
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"Factors":{"Factor":"no exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_Control_16"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_Control_17",
"Factors":{"Factor":"no exposure"},
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{
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"Factors":{"Factor":"no exposure"},
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{
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"Sample ID":"Aq_Control_20",
"Factors":{"Factor":"no exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_Control_20"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_01",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_01"}
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{
"Subject ID":"-",
"Sample ID":"Aq_COP_02",
"Factors":{"Factor":"Copepodamide exposure"},
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},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_03",
"Factors":{"Factor":"Copepodamide exposure"},
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},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_04",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_04"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_05",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_05"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_06",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_06"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_07",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_07"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_08",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_08"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_09",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_09"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_10",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_10"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_11",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_11"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_12",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_12"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_13",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_13"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_14",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_14"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_15",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_15"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_16",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_16"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_17",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_17"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_18",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_18"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_19",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_19"}
},
{
"Subject ID":"-",
"Sample ID":"Aq_COP_20",
"Factors":{"Factor":"Copepodamide exposure"},
"Additional sample data":{"RAW_FILE_NAME":"Aq_COP_20"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_SB_05",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_SB_05"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_SB_06",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_SB_06"}
},
{
"Subject ID":"-",
"Sample ID":"Quality_Control_01",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Quality_Control_01"}
},
{
"Subject ID":"-",
"Sample ID":"Quality_Control_02",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Quality_Control_02"}
},
{
"Subject ID":"-",
"Sample ID":"Quality_Control_03",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Quality_Control_03"}
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{
"Subject ID":"-",
"Sample ID":"Quality_Control_04",
"Factors":{"Factor":"QC"},
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"Subject ID":"-",
"Sample ID":"Quality_Control_05",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Quality_Control_05"}
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{
"Subject ID":"-",
"Sample ID":"Quality_Control_06",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Quality_Control_06"}
},
{
"Subject ID":"-",
"Sample ID":"Quality_Control_07",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"Quality_Control_07"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"From culture (alexandrium minutum strain CCMP 113)","SAMPLE_TYPE":"Algae"},

"TREATMENT":{"TREATMENT_SUMMARY":"Copepodamide que"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Modified Bligh Dyer"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Polar HILIC separation","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters Acquity BEH HILIC (150 x 2.1mm, 1.7um)","SOLVENT_A":"-","SOLVENT_B":"-","FLOW_GRADIENT":"-","FLOW_RATE":"-"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Orbitrap ID-X Tribrid","INSTRUMENT_TYPE":"Orbritrap/ion trap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Compound Discoverer","MS_RESULTS_FILE":"ST001882_AN003042_Results.txt UNITS:peak area Has m/z:Neutral masses Has RT:Yes RT units:Minutes"}

}