{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002539","ANALYSIS_ID":"AN004184","VERSION":"1","CREATED_ON":"April 4, 2023, 3:19 pm"},

"PROJECT":{"PROJECT_TITLE":"Microbial metabolomic responses to changes in temperature and salinity along the western Antarctic Peninsula.","PROJECT_TYPE":"Marine Metabolomics","PROJECT_SUMMARY":"Seasonal cycles within the marginal ice zones in polar regions include large shifts in temperature and salinity that strongly influence microbial abundance and physiology. However, the combined effects of concurrent temperature and salinity change on microbial community structure and biochemical composition during transitions between seawater and sea ice are not well understood. Coastal marine communities along the western Antarctic Peninsula were sampled and surface seawater was incubated at combinations of temperature and salinity mimicking the formation (cold, salty) and melting (warm, fresh) of sea ice to evaluate how these factors may shape community composition and particulate metabolite pools during seasonal transitions. Bacterial and algal community structures were tightly coupled to each other and distinct across sea-ice, seawater, and sea-ice-meltwater field samples, with unique metabolite profiles in each habitat. During short-term (approximately 10-day) incubations of seawater microbial communities under different temperature and salinity conditions, community compositions changed minimally while metabolite pools shifted greatly, strongly accumulating compatible solutes like proline and glycine betaine under cold and salty conditions. Lower salinities reduced total metabolite concentrations in particulate matter, which may indicate a release of metabolites into the labile dissolved organic matter pool. Low salinity also increased acylcarnitine concentrations in particulate matter, suggesting a potential for fatty acid degradation and reduced nutritional value at the base of the food web during freshening. Our findings have consequences for food web dynamics, microbial interactions, and carbon cycling as polar regions undergo rapid climate change.","INSTITUTE":"University of Washington, School of Oceanography","DEPARTMENT":"School of Oceanography","LABORATORY":"Young Lab","LAST_NAME":"Dawson","FIRST_NAME":"Hannah","ADDRESS":"1501 NE Boat St, Seattle, WA, 98195, USA","EMAIL":"hmdawson@uw.edu","PHONE":"5404547754","FUNDING_SOURCE":"National Science Foundation","PUBLICATIONS":"Dawson et al., in review ISME Journal 2023"},

"STUDY":{"STUDY_TITLE":"Microbial metabolomic responses to changes in temperature and salinity along the western Antarctic Peninsula.","STUDY_TYPE":"Study of particulate metabolites in phytoplankton and sea-ice algae along the Western Antarctic Peninsula","STUDY_SUMMARY":"Seasonal cycles within the marginal ice zones in polar regions include large shifts in temperature and salinity that strongly influence microbial abundance and physiology. However, the combined effects of concurrent temperature and salinity change on microbial community structure and biochemical composition during transitions between seawater and sea ice are not well understood. Coastal marine communities along the western Antarctic Peninsula were sampled and surface seawater was incubated at combinations of temperature and salinity mimicking the formation (cold, salty) and melting (warm, fresh) of sea ice to evaluate how these factors may shape community composition and particulate metabolite pools during seasonal transitions. Bacterial and algal community structures were tightly coupled to each other and distinct across sea-ice, seawater, and sea-ice-meltwater field samples, with unique metabolite profiles in each habitat. During short-term (approximately 10-day) incubations of seawater microbial communities under different temperature and salinity conditions, community compositions changed minimally while metabolite pools shifted greatly, strongly accumulating compatible solutes like proline and glycine betaine under cold and salty conditions. Lower salinities reduced total metabolite concentrations in particulate matter, which may indicate a release of metabolites into the labile dissolved organic matter pool. Low salinity also increased acylcarnitine concentrations in particulate matter, suggesting a potential for fatty acid degradation and reduced nutritional value at the base of the food web during freshening. Our findings have consequences for food web dynamics, microbial interactions, and carbon cycling as polar regions undergo rapid climate change.","INSTITUTE":"University of Washington, School of Oceanography","DEPARTMENT":"School of Oceanography","LABORATORY":"Young Lab","LAST_NAME":"Dawson","FIRST_NAME":"Hannah","ADDRESS":"1501 NE Boat St, Seattle, WA, 98195, USA","EMAIL":"hmdawson@uw.edu","PHONE":"5404547754"},

"SUBJECT":{"SUBJECT_TYPE":"Water sample"},
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"Sample ID":"Blk_FilterBlk20_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.45"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlk20_A 200821_Smp_FilterBlk20_A 200825_Smp_FilterBlk20_A 200827_Smp_FilterBlk20-neg_A"}
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{
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"Sample ID":"Blk_FilterBlk35_A",
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},
{
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"Sample ID":"Blk_FilterBlk50_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.44"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlk50_A 200821_Smp_FilterBlk50_A 200825_Smp_FilterBlk50_A 200827_Smp_FilterBlk50-neg_A"}
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{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWB2_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.96"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB2_A 200821_Smp_FilterBlkFSWB2_A 200825_Smp_FilterBlkFSWB2_A 200827_Smp_FilterBlkFSWB2-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWB2_B",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"1.055"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB2_B 200821_Smp_FilterBlkFSWB2_B 200825_Smp_FilterBlkFSWB2_B 200827_Smp_FilterBlkFSWB2-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWB2_C",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.81"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB2_C 200821_Smp_FilterBlkFSWB2_C 200825_Smp_FilterBlkFSWB2_C 200827_Smp_FilterBlkFSWB2-neg_C"}
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{
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"Sample ID":"Blk_FilterBlkFSWB3_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.775"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB3_A 200821_Smp_FilterBlkFSWB3_A 200825_Smp_FilterBlkFSWB3_A 200827_Smp_FilterBlkFSWB3-neg_A"}
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{
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"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.91"},
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{
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"Sample ID":"Blk_FilterBlkFSWB3_C",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.895"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB3_C 200821_Smp_FilterBlkFSWB3_C 200825_Smp_FilterBlkFSWB3_C 200827_Smp_FilterBlkFSWB3-neg_C"}
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{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWB5_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.975"},
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{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWB5_B",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"1.15"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB5_B 200821_Smp_FilterBlkFSWB5_B 200825_Smp_FilterBlkFSWB5_B 200827_Smp_FilterBlkFSWB5-neg_B"}
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{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWB5_C",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"1.42"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWB5_C 200821_Smp_FilterBlkFSWB5_C 200825_Smp_FilterBlkFSWB5_C 200827_Smp_FilterBlkFSWB5-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"Blk_FilterBlkFSWEvX_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"1"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_FilterBlkFSWEvX_A 200821_Smp_FilterBlkFSWEvX_A 200825_Smp_FilterBlkFSWEvX_A 200827_Smp_FilterBlkFSWEvX-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Full1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Full1 200821_Poo_TruePooAnt18_Full1 200825_Poo_TruePooAnt18_Full1 200827_Poo_TruePooAnt18_Full-neg1"}
},
{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Full2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Full2 200821_Poo_TruePooAnt18_Full2 200825_Poo_TruePooAnt18_Full2 200827_Poo_TruePooAnt18_Full-neg2"}
},
{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Full3",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Full3 200821_Poo_TruePooAnt18_Full3 200825_Poo_TruePooAnt18_Full3 200827_Poo_TruePooAnt18_Full-neg3"}
},
{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Full3a",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Full3a 200821_Poo_TruePooAnt18_Full3a"}
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{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Full4",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Full4 200821_Poo_TruePooAnt18_Full4 200825_Poo_TruePooAnt18_Full4 200827_Poo_TruePooAnt18_Full-neg4"}
},
{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Half1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Half1 200821_Poo_TruePooAnt18_Half1 200825_Poo_TruePooAnt18_Half1 200827_Poo_TruePooAnt18_Half-neg1"}
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{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Half2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Half2 200821_Poo_TruePooAnt18_Half2 200825_Poo_TruePooAnt18_Half2 200827_Poo_TruePooAnt18_Half-neg2"}
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{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Half3",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Half3 200821_Poo_TruePooAnt18_Half3 200825_Poo_TruePooAnt18_Half3 200827_Poo_TruePooAnt18_Half-neg3"}
},
{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Half3a",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Half3a 200821_Poo_TruePooAnt18_Half3a"}
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{
"Subject ID":"-",
"Sample ID":"Poo_TruePooAnt18_Half4",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Poo_TruePooAnt18_Half4 200821_Poo_TruePooAnt18_Half4 200825_Poo_TruePooAnt18_Half4 200827_Poo_TruePooAnt18_Half-neg4"}
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{
"Subject ID":"-",
"Sample ID":"Meltwater_T-S_A",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.6"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_20ppt3C_A 200821_Smp_20ppt3C_A 200825_Smp_20ppt3C_A 200827_Smp_20ppt3C-neg_A"}
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{
"Subject ID":"-",
"Sample ID":"Meltwater_T-S_B",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.62"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_20ppt3C_B 200821_Smp_20ppt3C_B 200825_Smp_20ppt3C_B 200827_Smp_20ppt3C-neg_B"}
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{
"Subject ID":"-",
"Sample ID":"Meltwater_T-S_C",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.6"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_20ppt3C_C 200821_Smp_20ppt3C_C 200825_Smp_20ppt3C_C 200827_Smp_20ppt3C-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"SW_T-S_A",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.62"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_35ppt0C_A 200821_Smp_35ppt0C_A 200825_Smp_35ppt0C_A 200827_Smp_35ppt0C-neg_A"}
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{
"Subject ID":"-",
"Sample ID":"SW_T-S_B",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.62"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_35ppt0C_B 200821_Smp_35ppt0C_B 200825_Smp_35ppt0C_B 200827_Smp_35ppt0C-neg_B"}
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{
"Subject ID":"-",
"Sample ID":"SW_T-S_C",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.78"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_35ppt0C_C 200821_Smp_35ppt0C_C 200825_Smp_35ppt0C_C 200827_Smp_35ppt0C-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_T-S_A",
"Factors":{"Sampling_Date":"11/21/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.44"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_50ppt-3C_A 200821_Smp_50ppt-3C_A 200825_Smp_50ppt-3C_A 200827_Smp_50ppt-3C-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_T-S_B",
"Factors":{"Sampling_Date":"11/21/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.58"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_50ppt-3C_B 200821_Smp_50ppt-3C_B 200825_Smp_50ppt-3C_B 200827_Smp_50ppt-3C-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_T-S_C",
"Factors":{"Sampling_Date":"11/21/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"0.5"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_50ppt-3C_C 200821_Smp_50ppt-3C_C 200825_Smp_50ppt-3C_C 200827_Smp_50ppt-3C-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"Smp_Ev15SW_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"3.6"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev15SW_A 200821_Smp_Ev15SW_A 200825_Smp_Ev15SW_A 200827_Smp_Ev15SW-neg_A"}
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{
"Subject ID":"-",
"Sample ID":"Sea ice_1_A",
"Factors":{"Sampling_Date":"11/19/2018","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.25"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev32Core_A 200821_Smp_Ev32Core_A 200825_Smp_Ev32Core_A 200827_Smp_Ev32Core-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_1_B",
"Factors":{"Sampling_Date":"11/19/2018","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.5"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev32Core_B 200821_Smp_Ev32Core_B 200825_Smp_Ev32Core_B 200827_Smp_Ev32Core-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_1_C",
"Factors":{"Sampling_Date":"11/19/2018","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.5"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev32Core_C 200821_Smp_Ev32Core_C 200825_Smp_Ev32Core_C 200827_Smp_Ev32Core-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_3",
"Factors":{"Sampling_Date":"11/14/2018","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev37Core_A 200821_Smp_Ev37Core_A 200825_Smp_Ev37Core_A 200827_Smp_Ev37Core-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Smp_Ev51Slush_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.2"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev51Slush_A 200821_Smp_Ev51Slush_A 200825_Smp_Ev51Slush_A 200827_Smp_Ev51Slush-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Smp_Ev60SW_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"3"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Ev60SW_A 200821_Smp_Ev60SW_A 200825_Smp_Ev60SW_A 200827_Smp_Ev60SW-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Sea ice_2",
"Factors":{"Sampling_Date":"11/20/2018","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"0.62"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_EvXCore_A 200821_Smp_EvXCore_A 200825_Smp_EvXCore_A 200827_Smp_EvXCore-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Smp_EvXSW_A",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"1.99"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_EvXSW_A 200821_Smp_EvXSW_A 200825_Smp_EvXSW_A 200827_Smp_EvXSW-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Meltwater_A",
"Factors":{"Sampling_Date":"11/5/2018","Latitude":"64.78","Longitude":"64.05","sample_vol_filtered_L":"0.725"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Hero1_A 200821_Smp_Hero1_A 200825_Smp_Hero1_A 200827_Smp_Hero1-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"Meltwater_B",
"Factors":{"Sampling_Date":"11/5/2018","Latitude":"64.78","Longitude":"64.05","sample_vol_filtered_L":"1.105"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Hero1_B 200821_Smp_Hero1_B 200825_Smp_Hero1_B 200827_Smp_Hero1-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"Meltwater_C",
"Factors":{"Sampling_Date":"11/5/2018","Latitude":"64.78","Longitude":"64.05","sample_vol_filtered_L":"1.02"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_Hero1_C 200821_Smp_Hero1_C 200825_Smp_Hero1_C 200827_Smp_Hero1-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"SW_08_A",
"Factors":{"Sampling_Date":"11/8/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"3.1"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB1_A 200821_Smp_StaB1_A 200825_Smp_StaB1_A 200827_Smp_StaB1-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"SW_08_B",
"Factors":{"Sampling_Date":"11/8/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"3.3"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB1_B 200821_Smp_StaB1_B 200825_Smp_StaB1_B 200827_Smp_StaB1-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"SW_08_C",
"Factors":{"Sampling_Date":"11/8/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"3"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB1_C 200821_Smp_StaB1_C 200825_Smp_StaB1_C 200827_Smp_StaB1-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"SW_08_D",
"Factors":{"Sampling_Date":"11/8/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.205"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB1.D 200821_Smp_StaB1.D 200825_Smp_StaB1.D 200827_Smp_StaB1-neg_D"}
},
{
"Subject ID":"-",
"Sample ID":"SW_08_E",
"Factors":{"Sampling_Date":"11/8/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.54"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB1_E 200821_Smp_StaB1_E 200825_Smp_StaB1_E 200827_Smp_StaB1-neg_E"}
},
{
"Subject ID":"-",
"Sample ID":"SW_12_A",
"Factors":{"Sampling_Date":"11/12/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.25"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB2_A 200821_Smp_StaB2_A 200825_Smp_StaB2_A 200827_Smp_StaB2-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"SW_12_B",
"Factors":{"Sampling_Date":"11/12/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.75"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB2_B 200821_Smp_StaB2_B 200825_Smp_StaB2_B 200827_Smp_StaB2-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"SW_12_C",
"Factors":{"Sampling_Date":"11/12/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.9"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB2_C 200821_Smp_StaB2_C 200825_Smp_StaB2_C 200827_Smp_StaB2-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"SW_15_A",
"Factors":{"Sampling_Date":"11/15/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.2"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB3_A 200821_Smp_StaB3_A 200825_Smp_StaB3_A 200827_Smp_StaB3-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"SW_15_B",
"Factors":{"Sampling_Date":"11/15/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.04"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB3_B 200821_Smp_StaB3_B 200825_Smp_StaB3_B 200827_Smp_StaB3-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"SW_15_C",
"Factors":{"Sampling_Date":"11/15/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"2.095"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB3_C 200821_Smp_StaB3_C 200825_Smp_StaB3_C 200827_Smp_StaB3-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"SW_17_A",
"Factors":{"Sampling_Date":"11/17/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.325"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB4_A 200821_Smp_StaB4_A 200825_Smp_StaB4_A 200827_Smp_StaB4-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"SW_17_B",
"Factors":{"Sampling_Date":"11/17/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.325"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB4_B 200821_Smp_StaB4_B 200825_Smp_StaB4_B 200827_Smp_StaB4-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"SW_17_C",
"Factors":{"Sampling_Date":"11/17/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.64"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB4_C 200821_Smp_StaB4_C 200825_Smp_StaB4_C 200827_Smp_StaB4-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"SW_19_A",
"Factors":{"Sampling_Date":"11/19/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.04"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB5_A 200821_Smp_StaB5_A 200825_Smp_StaB5_A 200827_Smp_StaB5-neg_A"}
},
{
"Subject ID":"-",
"Sample ID":"SW_19_B",
"Factors":{"Sampling_Date":"11/19/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.15"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB5_B 200821_Smp_StaB5_B 200825_Smp_StaB5_B 200827_Smp_StaB5-neg_B"}
},
{
"Subject ID":"-",
"Sample ID":"SW_19_C",
"Factors":{"Sampling_Date":"11/19/2018","Latitude":"64.78","Longitude":"64.07","sample_vol_filtered_L":"1.5"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Smp_StaB5_C 200821_Smp_StaB5_C 200825_Smp_StaB5_C 200827_Smp_StaB5-neg_C"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix1InH2O_1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix1InH2O_1 200821_Std_4uMStdsMix1InH2O_1 200825_Std_4uMStdsMix1InH2O_1 200827_Std_OrganicStdsInSolvent_neg1"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix1InH2O_2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix1InH2O_2 200821_Std_4uMStdsMix1InH2O_2 200825_Std_4uMStdsMix1InH2O_2 200827_Std_OrganicStdsInSolvent_neg2"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix1InMatrix_1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix1InMatrix_1 200821_Std_4uMStdsMix1InMatrix_1 200825_Std_4uMStdsMix1InMatrix_1 200827_Std_OrganicStdsInMatrix_neg1"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix1InMatrix_2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix1InMatrix_2 200821_Std_4uMStdsMix1InMatrix_2 200825_Std_4uMStdsMix1InMatrix_2 200827_Std_OrganicStdsInMatrix_neg2"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix2InH2O_1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix2InH2O_1 200821_Std_4uMStdsMix2InH2O_1 200825_Std_4uMStdsMix2InH2O_1"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix2InH2O_2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix2InH2O_2 200821_Std_4uMStdsMix2InH2O_2 200825_Std_4uMStdsMix2InH2O_2"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix2InMatrix_1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix2InMatrix_1 200821_Std_4uMStdsMix2InMatrix_1 200825_Std_4uMStdsMix2InMatrix_1"}
},
{
"Subject ID":"-",
"Sample ID":"Std_4uMStdsMix2InMatrix_2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_4uMStdsMix2InMatrix_2 200821_Std_4uMStdsMix2InMatrix_2 200825_Std_4uMStdsMix2InMatrix_2"}
},
{
"Subject ID":"-",
"Sample ID":"Std_H2OinMatrix_1",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_H2OinMatrix_1 200821_Std_H2OinMatrix_1 200825_Std_H2OinMatrix_1 200827_Std_SolventInMatrix_1"}
},
{
"Subject ID":"-",
"Sample ID":"Std_H2OinMatrix_2",
"Factors":{"Sampling_Date":"NA","Latitude":"NA","Longitude":"NA","sample_vol_filtered_L":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"200821_Std_H2OinMatrix_2 200821_Std_H2OinMatrix_2 200825_Std_H2OinMatrix_2 200827_Std_SolventInMatrix_2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples for particulate metabolites from cruise B234P were collected from Palmer Station from November 5 to November 21 2018, all at <1 m. At each sampling date, triplicate filters were collected using polycarbonate carboys. For sea-ice cores, the bottom 5-cm sections were placed in polycarbonate tubs and allowed to melt at 4°C into filtered seawater before collection. Samples (~0.2-3L) were collected into polycarbonate carboys, filtered onto 147 mm 0.2 μm PTFE filters using peristaltic pumps, polycarbonate filter holders, and Masterflex PharMed BPT tubing (Cole-Parmer). Filters were flash frozen in liquid nitrogen and stored at -80°C until extraction. Blank PTFE filters were extracted alongside samples as methodological blanks.","SAMPLE_TYPE":"Suspended Marine Particulate Matter","STORAGE_CONDITIONS":"Described in summary"},

"TREATMENT":{"TREATMENT_SUMMARY":"On 12th November 2018 (sample SW_12), additional seawater was collected for incubation experiments that simulated temperature(T)-salinity(S) conditions of sea-ice meltwater (3˚C and salinity 21, designated Meltwater_T-S), ambient seawater (0˚C and salinity 35, SW_T-S), and sea ice (3˚C and salinity 52, Sea ice_T-S) in triplicate. All other samples received no treatment and were samples of the natural marine microbial population in the surface ocean and sea ice along the western Antarctic Peninsula."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Each sample was extracted using a modified Bligh-Dyer extraction. Briefly, filters were put into 15 mL teflon centrifuge tubes containing a mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal standards were added along with ~2 mL of cold aqueous solvent (50:50 methanol:water) and ~3 mL of cold organic solvent (dichloromethane). The samples were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a -20 °C freezer repeatedly for three cycles of bead-beating and a total of 30 minutes of chilling. The organic and aqueous layers were separated by spinning samples in a centrifuge at 4,300 rpm for 2 minutes at 4 °C. The aqueous layer was removed to a new glass centrifuge tube. The remaining organic fraction was rinsed three more times with additions of 1 to 2 mL of 50:50 methanol:water. All aqueous rinses were combined for each sample and dried down under N2 gas. The remaining organic layer was transferred into a clean glass centrifuge tube and the remaining bead beating tube was rinsed two more times with cold organic solvent. The combined organic rinses were centrifuged, transferred to a new tube, and dried under N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of water. Dried organic fractions were re-dissolved in 380 µL of 1:1 water:acetonitrile. 20 µL of isotope-labeled injection standards in water were added to both fractions. Blank filters were extracted alongside samples as methodological blanks.","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Bligh-Dyer","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"See attached summary.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity I-Class","COLUMN_NAME":"Waters ACQUITY UPLC HSS CN (100 x 2.1mm,1.8um)","SOLVENT_A":"0.1% formic acid in water","SOLVENT_B":"0.1% formic acid in acetonitrile","FLOW_GRADIENT":"The column was held at 5% B for 2 minutes, ramped to 100% B over 18 minutes, held at 100% B for 2 minutes, and equilibrated at 5% B for 5 minutes (total run time is 25 minutes)","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"35"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Ingalls_Metabolomics_MS_PalmerStation.txt"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"See protocol."},

"MS_METABOLITE_DATA":{
"Units":"Estimated metabolite carbon concentration per particulate carbon (nmol C per umol C)",

"Data":[{"Metabolite":"Arachidonic acid","Meltwater_A":"0.008490873","Meltwater_B":"0.017547229","Meltwater_T-S_A":"0.029065918","Meltwater_T-S_B":"0.018143924","Sea ice_T-S_A":"0.024425846","Sea ice_T-S_B":"0.021083097","Sea ice_T-S_C":"0.026605734","SW_08_A":"0.094122313","SW_08_B":"0.103584098","SW_08_C":"0.083437104","SW_12_A":"0.057477969","SW_12_B":"0.060935451","SW_12_C":"0.057735332","SW_15_A":"0.055832378","SW_15_C":"0.059795793","SW_17_A":"0.06007091","SW_17_B":"0.048479178","SW_17_C":"0.06643018","SW_19_A":"0.050861499","SW_19_B":"0.060417989","SW_19_C":"0.066709673","SW_T-S_A":"0.051694919","SW_T-S_B":"0.084387703","SW_T-S_C":"0.053142328"},{"Metabolite":"Docosahexaenoic acid","Meltwater_A":"0.012891548","Meltwater_B":"0.014278865","Meltwater_T-S_A":"0.048601369","Meltwater_T-S_B":"0.037579857","Sea ice_T-S_A":"0.039532601","Sea ice_T-S_B":"0.033363816","Sea ice_T-S_C":"0.042643309","SW_08_A":"0.126712381","SW_08_B":"0.131718521","SW_08_C":"0.108840861","SW_12_A":"0.066202009","SW_12_B":"0.075974736","SW_12_C":"0.075422373","SW_15_A":"0.069930119","SW_15_C":"0.068611753","SW_17_A":"0.062104701","SW_17_B":"0.051639454","SW_17_C":"0.064819897","SW_19_A":"0.059878277","SW_19_B":"0.072947234","SW_19_C":"0.076288594","SW_T-S_A":"0.053043344","SW_T-S_B":"0.087725447","SW_T-S_C":"0.056357553"},{"Metabolite":"Eicosapentaenoic acid","Meltwater_A":"0.235228073","Meltwater_B":"0.235728057","Meltwater_T-S_A":"0.598641364","Meltwater_T-S_B":"0.421731737","Sea ice_T-S_A":"0.479335577","Sea ice_T-S_B":"0.386812931","Sea ice_T-S_C":"0.542318209","SW_08_A":"0.76207744","SW_08_B":"0.862549175","SW_08_C":"0.691419204","SW_12_A":"0.614074308","SW_12_B":"0.717479821","SW_12_C":"0.66661909","SW_15_A":"0.647787792","SW_15_C":"0.704483424","SW_17_A":"0.74473738","SW_17_B":"0.610847327","SW_17_C":"0.788507043","SW_19_A":"0.741287989","SW_19_B":"0.936293046","SW_19_C":"1.007821701","SW_T-S_A":"0.557870529","SW_T-S_B":"0.96679214","SW_T-S_C":"0.666015351"}],

"Metabolites":[{"Metabolite":"Arachidonic acid","mz":"303.2324","RT_minute":"6.2","Empirical_Formula":"C20H32O2","PubChem_Formula":"C20H32O2","PubChem_Code":"444899","KEGG_Code":"cpd:C00219"},{"Metabolite":"Eicosapentaenoic acid","mz":"301.2168","RT_minute":"4.7","Empirical_Formula":"C20H30O2","PubChem_Formula":"C20H30O2","PubChem_Code":"446284","KEGG_Code":"cpd:C06428"},{"Metabolite":"Docosahexaenoic acid","mz":"327.2324","RT_minute":"5.8","Empirical_Formula":"C22H32O2","PubChem_Formula":"C22H32O2","PubChem_Code":"445580","KEGG_Code":"cpd:C06429"}]
}

}