This codebook.txt file was generated on 20180822 by Elizabeth R Lusczek ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Serum metabolomics proton NMR data from a porcine model of burn injury 2. Author Information Principal Investigator Contact Information Name: Elizabeth Lusczek Institution: University of Minnesota Address: Surgery Department, MMC 195 Mayo Rm 11-142 PWB, 420 Delaware St SE, Minneapolis, MN 55455 Email: lusc0006@umn.edu Associate or Co-investigator Contact Information Name: Greg Beilman Institution: University of Minnesota Address: Surgery Department, MMC 195 Mayo Rm 11-142 PWB, 420 Delaware St SE, Minneapolis, MN 55455 Email: beilman@umn.edu 3. Date of data collection (single date, range, approximate date) : 20161001-20170101 4. Geographic location of data collection (where was data collected?): Minnesota NMR Center, University of Minnesota 5. Information about funding sources that supported the collection of the data: Funding for Nuclear Magnetic Resonance (NMR) instrumentation was provided by the Office of the Vice President for Research, the Medical School, the College of Biological Science, NIH, NSF, and the Minnesota Medical Foundation. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: none 2. Links to publications that cite or use the data: manuscript in preparation 3. Links to other publicly accessible locations of the data: none 4. Links/relationships to ancillary data sets: none 5. Was data derived from another source? If yes, list source(s): no 6. Recommended citation for the data: Lusczek, Elizabeth R; Beilman, Gregory J. (2018). Serum metabolomics proton NMR data from a porcine model of burn injury. Retrieved from the University of Minnesota Digital Conservancy, http://hdl.handle.net/11299/199794. --------------------- DATA & FILE OVERVIEW --------------------- 1. File List A. Filename: Dataset_SerumMetabolomes.csv Short description: These data are the concentrations of 38 metabolites identified in serum from a porcine model of severe burn injury and smoke inhalation. Serum were collected at set timepoints (0 hr/pre-burn; 24 hr post-burn, 48 hr post-burn; 72 hr post-burn) from injured porcine subjects. Each row corresponds to a blood sample drawn from a pig at a given timepoint. Columns include subject identifiers (Pig_ID, Timepoint, Treatment) and 38 metabolites (2-hydroxybutyrate, 3-hydroxybutyrate, Acetate,…,Valine). Identifiers in the dataset are: Pig_ID: number identifying the animal from which the sample was drawn. Timepoint: the experimental timepjoint at which the sample was drawn (0hr, 24hr, 48hr, 72hr) Treatment: Sham or Treated. Treated animals had blood passed through an external cytokine filter once a day for 3 days. Serum samples were drawn immediately after treatment. For sham animals, the cytokine filter was replaced with tubing. No differences were observed between the groups in mortality or cytokine levels (see Linden et al, Shock 2015 DOI: 10.1097/SHK.0000000000000439). 2. Relationship between files: N/A 3. Additional related data collected that was not included in the current data package: N/A 4. Are there multiple versions of the dataset? No -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: The injury protocol is reported in Linden et al, Shock 2015 DOI: 10.1097/SHK.0000000000000439. Serum samples were prepared for spectral analysis by filtering with a 3kDa ultracentrifuge filter. Equal parts (250 microliters) of 200 mM buffer and serum filtrate were combined with 50 microliters of internal standard 3-(trimethylsilyl)propionic acid. Spectral data were collected from a Bruker 700 MHz NMR spectrometer. Spectra were individually processed with Chenomx Software version 7.7. The software's phasing, baseline correction, and spectral deconvolution were individually applied to each unprocessed spectrum. Spectra were fit using Chenomx's spectral library to identify and quantify metabolite concentrations (millimolar). This study was approved by the U.S. Army Institute of Surgical Research Animal Care and Use Committee. It was conducted in compliance with the Animal Welfare Act and the implementing Animal Welfare Regulations and in accordance with the principles of the Guide for the Care and Use of Laboratory Animals. 2. Methods for processing the data: Raw (unprocessed) metabolite concentrations are provided. 3. Instrument- or software-specific information needed to interpret the data: A Bruker 700 MHz spectrometer with TopSpin software (v.2.1) was used to collect data. Chenomx software (v. 7.7) was used to determine metabolite concentrations. 4. Standards and calibration information, if appropriate: The internal standard 3-(trimethylsilyl)propionic acid was used to determine metabolite concentrations. 5. Environmental/experimental conditions: Spectra were collected at 298K 6. Describe any quality-assurance procedures performed on the data: 7. People involved with sample collection, processing, analysis and/or submission: Cole Hendrickson, MS ------------------------------------------------------------------- DATA-SPECIFIC INFORMATION FOR: Dataset_SerumMetabolomes.csv -------------------------------------------------------------- 1. Number of variables: 38 2. Number of cases/rows: 61 (22 NA due to subject death) 3. Missing data codes: NA: data not available due to subject death 4. Variable List A. Name: Pig_ID Description: Unique numeric identifier of individual animals B. Name: Timepoint Description: Experimental timepoint at which blood samples were drawn 0h: pre-burn 24h: 24 hours post-burn 48h: 48 hours post-burn 72h: 72 hours post-burn C. Name: Treatment Description: Treatment group Sham: blood passed through a hollow tube Treated: blood passed through a cytokine filter *see details in Linden et al, Shock 2015 DOI: 10.1097/SHK.0000000000000439 D. Name: 2-Hydroxybutyrate Description: concentration of metabolite 2-hydroxybutyrate (mM) E. Name: 3-Hydroxybutyrate Description: concentration of metabolite (mM) F. Name: Acetate Description: concentration of metabolite (mM) G. Name: Acetoacetate Description: concentration of metabolite (mM) H. Name: Acetone Description: concentration of metabolite (mM) I. Name: Alanine Description: concentration of metabolite (mM) J. Name: Betaine Description: concentration of metabolite (mM) K. Name: Carnitine Description: concentration of metabolite (mM) L. Name: Choline Description: concentration of metabolite (mM) M. Name: Creatine Description: concentration of metabolite (mM) N. Name: Creatine Phosphate Description: concentration of metabolite (mM) O. Name: Creatinine Description: concentration of metabolite (mM) P. Name: Glucose Description: concentration of metabolite (mM) Q. Name: Glutamate Description: concentration of metabolite (mM) R. Name: Glutamine Description: concentration of metabolite (mM) S. Name: Glycine Description: concentration of metabolite (mM) T. Name: Histamine Description: concentration of metabolite (mM) U. Name: Hypoxanthine Description: concentration of metabolite (mM) V. Name: Isobutyrate Description: concentration of metabolite (mM) W. Name: Isoleucine Description: concentration of metabolite (mM) X. Name: Isovalerate Description: concentration of metabolite (mM) Y. Name: Lactate Description: concentration of metabolite (mM) Z. Name: Leucine Description: concentration of metabolite (mM) AA. Name: Lysine Description: concentration of metabolite (mM) AB. Name: Malonate Description: concentration of metabolite (mM) AC. Name: Mannose Description: concentration of metabolite (mM) AD. Name: Methionine Description: concentration of metabolite (mM) AE. Name: N-Acetylglucosamine Description: concentration of metabolite (mM) AF. Name: O-Phosphocholine Description: concentration of metabolite (mM) AG. Name: Phenylalanine Description: concentration of metabolite (mM) AH. Name: Proline Description: concentration of metabolite (mM) AI. Name: Propylene glycol Description: concentration of metabolite (mM) AJ. Name: Pyruvate Description: concentration of metabolite (mM) AK. Name: Succinate Description: concentration of metabolite (mM) AL. Name: Threonine Description: concentration of metabolite (mM) AM. Name: Trimethylamine N-oxide Description: concentration of metabolite (mM) AN. Name: Tyrosine Description: concentration of metabolite (mM) AO. Name: Valine Description: concentration of metabolite (mM)