DOI: 10.7910/dvn/usenvz
title: Per- and Polyfluoroalkyl Substances in Human Liver and Serum

description: &lt;p&gt;
This dataset contains measured concentrations of 54 targeted per- and polyfluoroalkyl substances (PFAS) in 211 human liver samples and 18 matched serum samples, determined using liquid chromatography–tandem high-resolution mass spectrometry (LC-HRMS/MS). The dataset is supplemented with anonymized demographic and physiological information for the matched samples.
&lt;/p&gt;

&lt;p&gt;The dataset comprises:&lt;/p&gt;

&lt;ul&gt;
 &lt;li&gt;(i) a list of targeted PFAS compounds included in the LC-MS/MS analyses for both liver and serum,&lt;/li&gt;
 &lt;li&gt;(ii) 12 raw data files generated from LC-MS/MS analyses,&lt;/li&gt;
 &lt;li&gt;(iii) information on individual samples, including quality control samples such as blanks, continuous calibration verification samples, and matrix spikes,&lt;/li&gt;
 &lt;li&gt;(iv) quality control criteria thresholds for extracted internal standard recoveries, ion abundance ratios, and retention time shifts, as well as the input parameters used to process the raw data files,&lt;/li&gt;
 &lt;li&gt;(v) combined processed results of PFAS contamination levels, and&lt;/li&gt;
 &lt;li&gt;(vi) anonymized demographic and physiological information.&lt;/li&gt;
&lt;/ul&gt;

&lt;p&gt;
The combined processed results (v) were generated by processing the raw data files (ii) using a Jupyter-based data cleaning and QA/QC pipeline for targeted PFAS LC-MS/MS, as referenced in the Related Publications. Sample information (iii), quality control criteria thresholds, and processing input parameters (iv) were used as inputs to run this pipeline.
&lt;/p&gt;

&lt;p&gt;
Raw data files are tagged as &lt;em&gt;raw data&lt;/em&gt;. File names indicate the date of sample preparation for each batch (YYYYMMDD), the matrix type (liver or serum), and the analytical method used (core or extended).
&lt;/p&gt;

&lt;p&gt;
The &lt;strong&gt;core method&lt;/strong&gt; measures contamination levels of the following PFAS compounds:
&lt;/p&gt;

&lt;p&gt;
PFBA, PFPeA, PFHxA, PFHpA, PFOA, PFNA, PFDA, PFUdA, PFDoA, PFTrDA, PFTeDA, PFBS, PFPeS, L-PFHxS, Br-PFHxS, PFHpS, L-PFOS, Br-PFOS, PFNS, PFDS, FBSA, FPeSA, FHxSA, FHpSA, FOSA, 4:2 FTS, 6:2 FTS, 8:2 FTS, 10:2 FTS.
&lt;/p&gt;

&lt;p&gt;
The &lt;strong&gt;extended method&lt;/strong&gt; measures contamination levels of:
&lt;/p&gt;

&lt;p&gt;
PFPrA, 3:3 FTCA, 5:3 FTCA, 7:3 FTCA, FOEA, PFPrS, MeFBSA, N-EtFBSA-M, L-N-MeFOSAA, Br-N-MeFOSAA, L-N-EtFOSAA, Br-N-EtFOSAA, MeFOSA, EtFOSA, HFPO-DA, DONA, 9ClPF3ONS, 11ClPF3OUdS, 3,6-OPFHpA, PF4OPeA, PF5OHxA, PFECHS, PFEESA, N-AP-FHxSA, N-TAmP-FHxSA.
&lt;/p&gt;

&lt;p&gt;
Sample information, quality control thresholds, and simulation parameters are tagged as &lt;em&gt;simulation input&lt;/em&gt;. Files ending in &lt;em&gt;_liver.csv&lt;/em&gt; or &lt;em&gt;_serum.csv&lt;/em&gt; apply only to liver or serum samples, respectively; files without these suffixes apply to both matrix types.
&lt;/p&gt;

&lt;p&gt;
Combined processed results across all batches for liver and serum samples are tagged as &lt;em&gt;processed data&lt;/em&gt;. Specimen demographic data are tagged accordingly.
&lt;/p&gt;