Summary of Study ST002539
This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001635. The data can be accessed directly via it's Project DOI: 10.21228/M8C42F This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.
| Study ID | ST002539 |
| 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 |
| hmdawson@uw.edu | |
| Phone | 5404547754 |
| Submit Date | 2023-03-27 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzXML |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-05-25 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR001635 |
| Project DOI: | doi: 10.21228/M8C42F |
| 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 |
Subject:
| Subject ID: | SU002639 |
| Subject Type: | Water sample |
Factors:
Subject type: Water sample; Subject species: - (Factor headings shown in green)
| mb_sample_id | local_sample_id | Sampling_Date |
|---|---|---|
| SA255475 | SW_12_C | 11/12/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.9 |
| SA255476 | SW_12_A | 11/12/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.25 |
| SA255477 | SW_12_B | 11/12/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.75 |
| SA255478 | Sea ice_3 | 11/14/2018 | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255479 | SW_15_B | 11/15/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.04 |
| SA255480 | SW_15_C | 11/15/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.095 |
| SA255481 | SW_15_A | 11/15/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.2 |
| SA255482 | SW_17_A | 11/17/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.325 |
| SA255483 | SW_17_B | 11/17/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.325 |
| SA255484 | SW_17_C | 11/17/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.64 |
| SA255485 | SW_19_A | 11/19/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.04 |
| SA255486 | SW_19_B | 11/19/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.15 |
| SA255487 | SW_19_C | 11/19/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:1.5 |
| SA255488 | Sea ice_1_A | 11/19/2018 | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.25 |
| SA255489 | Sea ice_1_B | 11/19/2018 | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.5 |
| SA255490 | Sea ice_1_C | 11/19/2018 | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.5 |
| SA255491 | Meltwater_T-S_A | 11/20/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.6 |
| SA255492 | Meltwater_T-S_C | 11/20/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.6 |
| SA255493 | SW_T-S_B | 11/20/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.62 |
| SA255494 | SW_T-S_A | 11/20/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.62 |
| SA255495 | Meltwater_T-S_B | 11/20/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.62 |
| SA255496 | SW_T-S_C | 11/20/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.78 |
| SA255497 | Sea ice_2 | 11/20/2018 | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.62 |
| SA255498 | Sea ice_T-S_A | 11/21/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.44 |
| SA255499 | Sea ice_T-S_C | 11/21/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.5 |
| SA255500 | Sea ice_T-S_B | 11/21/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:0.58 |
| SA255501 | Meltwater_A | 11/5/2018 | Latitude:64.78 | Longitude:64.05 | sample_vol_filtered_L:0.725 |
| SA255502 | Meltwater_C | 11/5/2018 | Latitude:64.78 | Longitude:64.05 | sample_vol_filtered_L:1.02 |
| SA255503 | Meltwater_B | 11/5/2018 | Latitude:64.78 | Longitude:64.05 | sample_vol_filtered_L:1.105 |
| SA255504 | SW_08_D | 11/8/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.205 |
| SA255505 | SW_08_E | 11/8/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:2.54 |
| SA255506 | SW_08_C | 11/8/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:3 |
| SA255507 | SW_08_A | 11/8/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:3.1 |
| SA255508 | SW_08_B | 11/8/2018 | Latitude:64.78 | Longitude:64.07 | sample_vol_filtered_L:3.3 |
| SA255509 | Smp_Ev51Slush_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.2 |
| SA255510 | Blk_FilterBlk50_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.44 |
| SA255511 | Blk_FilterBlk20_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.45 |
| SA255512 | Blk_FilterBlk35_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.46 |
| SA255513 | Blk_FilterBlkFSWB3_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.775 |
| SA255514 | Blk_FilterBlkFSWB2_C | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.81 |
| SA255515 | Blk_FilterBlkFSWB3_C | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.895 |
| SA255516 | Blk_FilterBlkFSWB3_B | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.91 |
| SA255517 | Blk_FilterBlkFSWB2_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.96 |
| SA255518 | Blk_FilterBlkFSWB5_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:0.975 |
| SA255519 | Blk_FilterBlkFSWEvX_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:1 |
| SA255520 | Blk_FilterBlkFSWB2_B | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:1.055 |
| SA255521 | Blk_FilterBlkFSWB5_B | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:1.15 |
| SA255522 | Blk_FilterBlkFSWB5_C | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:1.42 |
| SA255523 | Smp_EvXSW_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:1.99 |
| SA255524 | Smp_Ev60SW_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:3 |
| SA255525 | Smp_Ev15SW_A | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:3.6 |
| SA255526 | Std_4uMStdsMix2InH2O_1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255527 | Std_4uMStdsMix1InMatrix_1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255528 | Std_4uMStdsMix1InMatrix_2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255529 | Std_4uMStdsMix2InMatrix_1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255530 | Std_H2OinMatrix_2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255531 | Poo_TruePooAnt18_Full2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255532 | Std_H2OinMatrix_1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255533 | Std_4uMStdsMix2InMatrix_2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255534 | Std_4uMStdsMix1InH2O_2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255535 | Std_4uMStdsMix2InH2O_2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255536 | Poo_TruePooAnt18_Full3a | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255537 | Poo_TruePooAnt18_Full3 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255538 | Poo_TruePooAnt18_Half2 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255539 | Poo_TruePooAnt18_Full1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255540 | Poo_TruePooAnt18_Half3 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255541 | Poo_TruePooAnt18_Full4 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255542 | Poo_TruePooAnt18_Half1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255543 | Poo_TruePooAnt18_Half4 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255544 | Poo_TruePooAnt18_Half3a | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| SA255545 | Std_4uMStdsMix1InH2O_1 | NA | Latitude:NA | Longitude:NA | sample_vol_filtered_L:NA |
| Showing results 1 to 71 of 71 |
Collection:
| Collection ID: | CO002632 |
| 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 ID: | TR002651 |
| 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. |
Sample Preparation:
| Sampleprep ID: | SP002645 |
| 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℃ |
Combined analysis:
| Analysis ID | AN004181 | AN004182 | AN004183 | AN004184 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | HILIC | HILIC | Reversed phase | Reversed phase |
| Chromatography system | Waters Acquity I-Class | Waters Acquity I-Class | Waters Acquity I-Class | Waters Acquity I-Class |
| Column | SeQuant ZIC- pHILIC (150 x 2.1mm,5um) | SeQuant ZIC- pHILIC (150 x 2.1mm,5um) | Waters ACQUITY UPLC CSH C18 (150 x 2.1mm,1.7um) | Waters ACQUITY UPLC HSS CN (100 x 2.1mm,1.8um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive HF hybrid Orbitrap | Thermo Q Exactive HF hybrid Orbitrap | Thermo Q Exactive HF hybrid Orbitrap | Thermo Q Exactive HF hybrid Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | Estimated metabolite carbon concentration (nmol C per L) | Estimated metabolite carbon concentration (nmol C per L) | Estimated metabolite carbon concentration per particulate carbon (nmol C per umol C) | Estimated metabolite carbon concentration (nmol C per L) |
Chromatography:
| Chromatography ID: | CH003098 |
| Chromatography Summary: | See attached summary. |
| Instrument Name: | Waters Acquity I-Class |
| Column Name: | SeQuant ZIC- pHILIC (150 x 2.1mm,5um) |
| Column Temperature: | 30 |
| Flow Gradient: | 100% B for 2 minutes, ramped to 64% A over 18 minutes, ramped up to 100% A over 1 minute, held at 100% A for 7 minutes, and equilibrated at 100% B for 22 minutes (total time is 50 minutes) |
| Flow Rate: | 0.15 mL/min |
| Solvent A: | 10mM ammonium carbonate;85% water/15% acetonitrile |
| Solvent B: | 10mM ammonium carbonate;85% acetonitrile/15% water |
| Chromatography Type: | HILIC |
| Chromatography ID: | CH003099 |
| Chromatography Summary: | See attached summary. |
| Instrument Name: | Waters Acquity I-Class |
| Column Name: | Waters ACQUITY UPLC CSH C18 (150 x 2.1mm,1.7um) |
| Column Temperature: | 65 |
| Flow Gradient: | Initial conditions were 90% A and 10% B. The column was ramped to 80% B over 33 minutes, ramped up to 90% B over 12 minutes, held at 90% B for 1 minute, and equilibrated to 90%A and 10% B for 6 minutes (total time is 52 minutes). |
| Flow Rate: | 0.45 mL/min |
| Solvent A: | 10mM ammonium formate; 60% acetonitrile/40% water; 0.1% formic acid |
| Solvent B: | 10mM ammonium formate; 90% isopropyl alcohol/10% acetonitrile; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003100 |
| Chromatography Summary: | See attached summary. |
| Instrument Name: | Waters Acquity I-Class |
| Column Name: | Waters ACQUITY UPLC HSS CN (100 x 2.1mm,1.8um) |
| Column Temperature: | 35 |
| 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 |
| Solvent A: | 0.1% formic acid in water |
| Solvent B: | 0.1% formic acid in acetonitrile |
| Chromatography Type: | Reversed phase |
MS:
| MS ID: | MS003928 |
| Analysis ID: | AN004181 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | See protocol. |
| Ion Mode: | POSITIVE |
| Analysis Protocol File: | Ingalls_Metabolomics_MS_PalmerStation.txt |
| MS ID: | MS003929 |
| Analysis ID: | AN004182 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | See protocol. |
| Ion Mode: | NEGATIVE |
| Analysis Protocol File: | Ingalls_Metabolomics_MS_PalmerStation.txt |
| MS ID: | MS003930 |
| Analysis ID: | AN004183 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | See protocol. |
| Ion Mode: | POSITIVE |
| Analysis Protocol File: | Ingalls_Metabolomics_MS_PalmerStation.txt |
| MS ID: | MS003931 |
| Analysis ID: | AN004184 |
| Instrument Name: | Thermo Q Exactive HF hybrid Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | See protocol. |
| Ion Mode: | NEGATIVE |
| Analysis Protocol File: | Ingalls_Metabolomics_MS_PalmerStation.txt |
