kreutz2023.uc: \insertCitekreutz2023category;textualinvitroTKdata...

In invitroTKdata: In Vitro Toxicokinetic Data Processed with the 'invitroTKstats' Pipeline

\insertCitekreutz2023category;textualinvitroTKdata Ultracentrifugation Level-2 Data Set

Description

Mass Spectrometry measurements of plasma protein binding measured by ultracentrifugation (UC) for per- and poly-fluorinated alkyl substance (PFAS) samples from experiments led by Dr.s Anna Kreutz and Barbara Wetmore.

Usage

kreutz2023.uc

Format

A level-2 data.frame with 2,955 rows and 23 variables:

Lab.Sample.Name

Sample description used in the laboratory

Date

Date sample was acquired

Compound.Name

Compound name

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard)

Lab.Compound.Name

Compound as described in the laboratory

Sample.Type

Type of UC sample

Dilution.Factor

Number of times the sample was diluted

Calibration

Identifier for mass spectrometry calibration – usually the date

Standard.Conc

Concentration of analytic standard (for calibration curve) (uM)

UC.Assay.T1.Conc

Intended concentration of chemical intended in T1 sample (uM)

ISTD.Name

Name of compound used as internal standard (ISTD)

ISTD.Conc

Concentration of ISTD (uM)

ISTD.Area

Peak area of internal standard (pixels)

Series

Identier for replicate series of UC measurements

Area

Peak area of analyte (target compound)

Analysis.Method

General description of chemical analysis method

Analysis.Instrument

Instrument(s) used for chemical analysis

Analysis.Parameters

Parameters for identifying analyte peak (for example, retention time)

Note

Any laboratory notes about sample

Level0.File

Name of data file from laboratory that was used to compile level-0 data.frame

Level0.Sheet

Name of "sheet" (for Excel workbooks) from which the laboratory data were read

Response

Response factor (calculated from analyte and ISTD peaks)

Verified

If "Y", then sample is included in the analysis. (Any other value causes the data to be ignored.)

References

\insertRef

howard2010plasmainvitroTKdata

\insertRef

kreutz2023categoryinvitroTKdata

invitroTKdata documentation built on Aug. 21, 2025, 5:56 p.m.