Summary of Study ST002890
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 PR001803. The data can be accessed directly via it's Project DOI: 10.21228/M8NQ7P 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 | ST002890 |
| Study Title | Characterization of the in vivo deuteration of native phospholipids by mass spectrometry yields guidelines for their regiospecific customization |
| Study Summary | Customization of deuterated biomolecules is vital for many advanced biological experiments, including neutron scattering. However, because it is challenging to control the proportion and regiospecificity of deuterium incorporation in live systems, often only two or three synthetic lipids are mixed together to form simplistic model membranes. This limits the applicability and biological accuracy of the results generated with these synthetic membranes. Despite some limited prior examination of deuterating E. coli lipids in vivo, this approach has not been widely implemented. Here, an extensive mass spectrometry-based profiling of E. coli phospholipid deuteration states with several different growth media was performed and a computational method to describe deuterium distributions with a one-number summary is introduced. The deuteration states of thirty-six lipid species were quantitatively profiled in fifteen different growth conditions and tandem mass spectrometry was used to reveal deuterium localization. Regressions were employed to enable the prediction of lipid deuteration for untested conditions. Small-angle neutron scattering was performed on select deuterated lipid samples, which validated the deuteration states calculated from the mass spectral data. Based on these experiments, guidelines for the design of specifically deuterated phospholipids are described. This unlocks even greater capabilities from neutron-based techniques, enabling experiments that were formerly impossible. |
| Institute | University of Tennessee |
| Department | Genome Science and Technology (Bredesen Center) |
| Last Name | Matthew |
| First Name | Keller |
| Address | The Bredesen Center for Interdisciplinary Research and Graduate Education 444 Greve Hall, 821 Volunteer Blvd. Knoxville, TN 37996-3394 |
| qrh579@vols.utk.edu | |
| Phone | 18659747999 |
| Submit Date | 2023-09-26 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-10-12 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Factors:
Subject type: Bacteria; Subject species: Escherichia coli (Factor headings shown in green)
| mb_sample_id | local_sample_id | Carbon source |
|---|---|---|
| SA315384 | H-Glu/25_2-neg | 50/50 H/D-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315385 | H-Glu/25_3-neg | 50/50 H/D-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315386 | H-Glu/25_1-neg | 50/50 H/D-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315387 | H-Glu/25_3-pos | 50/50 H/D-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315388 | H-Glu/25_2-pos | 50/50 H/D-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315389 | H-Glu/25_1-pos | 50/50 H/D-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315390 | H-Glu/75_1-neg | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315391 | H-Glu/75_repeat_2-neg | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315392 | H-Glu/75_repeat_1-neg | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315393 | H-Glu/75_3-neg | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315394 | H-Glu/75_2-neg | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315395 | H-Glu/75_repeat_3-neg | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315396 | H-Glu/75_3-pos | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315397 | H-Glu/75_1-pos | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315398 | H-Glu/75_2-pos | 50/50 H/D-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315399 | D-Glu/100-neg_tech-rep1 | D-Glucose | Percent D2O:0 | MS ionization mode:negative |
| SA315400 | D-Glu/100-neg_tech-rep2 | D-Glucose | Percent D2O:0 | MS ionization mode:negative |
| SA315401 | D-Glu/100-pos | D-Glucose | Percent D2O:0 | MS ionization mode:positive |
| SA315402 | 50D-Gly/100_2-neg | D-Glucose | Percent D2O:100 | MS ionization mode:negative |
| SA315403 | 50D-Gly/100_3-neg | D-Glucose | Percent D2O:100 | MS ionization mode:negative |
| SA315404 | 50D-Gly/100_1-neg | D-Glucose | Percent D2O:100 | MS ionization mode:negative |
| SA315405 | 50D-Gly/100_1-pos | D-Glucose | Percent D2O:100 | MS ionization mode:positive |
| SA315406 | 50D-Gly/100_2-pos | D-Glucose | Percent D2O:100 | MS ionization mode:positive |
| SA315407 | 50D-Gly/100_3-pos | D-Glucose | Percent D2O:100 | MS ionization mode:positive |
| SA315408 | H-Glu/50_1-neg | D-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315409 | H-Glu/50_2-neg | D-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315410 | H-Glu/50_3-neg | D-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315411 | H-Glu/50_2-pos | D-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315412 | H-Glu/50_3-pos | D-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315413 | H-Glu/50_1-pos | D-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315414 | H-Glu/100-neg_tech-rep2 | D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315415 | H-Glu/100-neg_tech-rep1 | D-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315416 | H-Glu/100-pos | D-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315417 | 50D-Gly/0_1-neg | H-Glucose | Percent D2O:100 | MS ionization mode:negative |
| SA315418 | 50D-Gly/0_2-neg | H-Glucose | Percent D2O:100 | MS ionization mode:negative |
| SA315419 | 50D-Gly/0_3-neg | H-Glucose | Percent D2O:100 | MS ionization mode:negative |
| SA315420 | 50D-Gly/0_2-pos | H-Glucose | Percent D2O:100 | MS ionization mode:positive |
| SA315421 | 50D-Gly/0_1-pos | H-Glucose | Percent D2O:100 | MS ionization mode:positive |
| SA315422 | 50D-Gly/0_3-pos | H-Glucose | Percent D2O:100 | MS ionization mode:positive |
| SA315423 | D-Glu/0_3-neg | H-Glucose | Percent D2O:25 | MS ionization mode:negative |
| SA315424 | D-Glu/0_2-neg | H-Glucose | Percent D2O:25 | MS ionization mode:negative |
| SA315425 | D-Glu/0_1-neg | H-Glucose | Percent D2O:25 | MS ionization mode:negative |
| SA315426 | D-Glu/0_2-pos | H-Glucose | Percent D2O:25 | MS ionization mode:positive |
| SA315427 | D-Glu/0_1-pos | H-Glucose | Percent D2O:25 | MS ionization mode:positive |
| SA315428 | D-Glu/0_3-pos | H-Glucose | Percent D2O:25 | MS ionization mode:positive |
| SA315429 | D-Gly/0_2-neg | H-Glucose | Percent D2O:50 | MS ionization mode:negative |
| SA315430 | D-Gly/0_1-neg | H-Glucose | Percent D2O:50 | MS ionization mode:negative |
| SA315431 | D-Gly/0_3-neg | H-Glucose | Percent D2O:50 | MS ionization mode:negative |
| SA315432 | D-Gly/0_3-pos | H-Glucose | Percent D2O:50 | MS ionization mode:positive |
| SA315433 | D-Gly/0_2-pos | H-Glucose | Percent D2O:50 | MS ionization mode:positive |
| SA315434 | D-Gly/0_1-pos | H-Glucose | Percent D2O:50 | MS ionization mode:positive |
| SA315435 | D-Gly/100_2-neg | H-Glucose | Percent D2O:75 | MS ionization mode:negative |
| SA315436 | D-Gly/100_3-neg | H-Glucose | Percent D2O:75 | MS ionization mode:negative |
| SA315437 | D-Gly/100_1-neg | H-Glucose | Percent D2O:75 | MS ionization mode:negative |
| SA315438 | D-Gly/100_3-pos | H-Glucose | Percent D2O:75 | MS ionization mode:positive |
| SA315439 | D-Gly/100_1-pos | H-Glucose | Percent D2O:75 | MS ionization mode:positive |
| SA315440 | D-Gly/100_2-pos | H-Glucose | Percent D2O:75 | MS ionization mode:positive |
| SA315441 | H-Gly/0-neg_tech-rep2 | H-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315442 | H-Gly/0-neg_tech-rep1 | H-Glycerol | Percent D2O:0 | MS ionization mode:negative |
| SA315443 | H-Gly/0-pos | H-Glycerol | Percent D2O:0 | MS ionization mode:positive |
| SA315444 | H-Gly/100_1-neg | H-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315445 | H-Gly/100_2-neg | H-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315446 | H-Gly/100_3-neg | H-Glycerol | Percent D2O:100 | MS ionization mode:negative |
| SA315447 | H-Gly/100_3-pos | H-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315448 | H-Gly/100_2-pos | H-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315449 | H-Gly/100_1-pos | H-Glycerol | Percent D2O:100 | MS ionization mode:positive |
| SA315450 | H-Gly/25-neg_tech-rep2 | H-Glycerol | Percent D2O:25 | MS ionization mode:negative |
| SA315451 | H-Gly/25-neg_tech-rep1 | H-Glycerol | Percent D2O:25 | MS ionization mode:negative |
| SA315452 | H-Gly/25-pos | H-Glycerol | Percent D2O:25 | MS ionization mode:positive |
| SA315453 | H-Gly/50-neg_tech-rep1 | H-Glycerol | Percent D2O:50 | MS ionization mode:negative |
| SA315454 | H-Gly/50-neg_tech-rep2 | H-Glycerol | Percent D2O:50 | MS ionization mode:negative |
| SA315455 | H-Gly/50-pos | H-Glycerol | Percent D2O:50 | MS ionization mode:positive |
| SA315456 | H-Gly/75-neg_tech-rep2 | H-Glycerol | Percent D2O:75 | MS ionization mode:negative |
| SA315457 | H-Gly/75-neg_tech-rep1 | H-Glycerol | Percent D2O:75 | MS ionization mode:negative |
| SA315458 | H-Gly/75-pos | H-Glycerol | Percent D2O:75 | MS ionization mode:positive |
| Showing results 1 to 75 of 75 |
