Leaching of Postharvest Pesticides from Lemon Fruits into Liquid Foodstuffs
Description
This dataset supports the study “Leaching of Postharvest Pesticides from Lemon Fruits into Liquid Foodstuffs” and contains all raw measurements and processed values used to evaluate the transfer of imazalil, thiabendazole, and pyrimethanil from lemon slices into beverages and liquid foods. Two Excel files are provided: 1. Lanyi_et_al_FC_validdata.xlsx Raw validation data for the LC MS/MS method, including calibration level peak areas, replicate injections for LOD/LOQ estimation, QC samples at three levels, and full uncertainty calculations (k = 2). All intermediate steps are included to allow independent verification of method performance. 2. Lanyi_et_al_FC_rawdata.xlsx Complete experimental dataset for the leaching study. For each matrix, raw instrument outputs (“----” for non detected peaks or numerical values) are listed exactly as exported. Three injections were performed per sample; their average gives the measured concentration in the immersion liquid. Additional parameters (pH, dry matter, alcohol content, slice masses) and all calculated values (mean concentrations, uncertainties, leaching efficiencies, Pearson correlations) are included. Handling of values below the LOQ Raw data remain unchanged. For injection level averages, if all three injections were <LOQ, the sample concentration was set to 0; if one injection was <LOQ, it was excluded; if two were <LOQ, the result was set to 0. Each beverage/food matrix was tested in three parallel immersion experiments. If one parallel result was <LOQ, it was omitted from averaging. If all three parallel results were <LOQ, all were replaced with the LOQ value (0.2 µg/kg) to provide an upper bound estimate. Leaching efficiency Leaching efficiency was calculated separately for each of the three parallel immersions. If, in a given experiment, the mean concentration in the immersion liquid was <LOQ, no LE value was reported for that experiment, and it was excluded from averaging. When all three parallel experiments were <LOQ was the LOQ value (0.2 µg/kg) used in the LE formula, yielding an upper bound estimate (“<X”). Cells where LOQ substitution was applied are marked in bold purple italics. Formatting Grey cells represent raw instrument output. Non grey cells contain processed or calculated values. This dataset enables full reconstruction of all calculations, figures, and statistical analyses presented in the article.
Files
Steps to reproduce
The dataset was generated during an experimental study investigating the leaching of three postharvest fungicides (imazalil, thiabendazole, pyrimethanil) from lemon slices into various beverages and liquid food matrices. The workflow consisted of two major components: analytical method validation and matrix‑dependent leaching experiments. Analytical method and validation Quantification was performed using LC–MS/MS with electrospray ionisation in positive mode. The method was validated according to SANTE/2023 guidelines. Validation data include peak areas and area ratios for the lowest calibration level, replicate injections for LOD/LOQ estimation, and QC samples at three concentration levels. Precision (RSD%), trueness (Δ%), and expanded measurement uncertainty (k = 2) were calculated from the QC results. All calculations are included in Lanyi_et_al_FC_validdata.xlsx. Leaching experiments Lemon slices of known mass were immersed in predefined beverage and food matrices (water types, teas, alcoholic drinks, soups) for a fixed contact time. After removal of the slices, the liquids were filtered and analysed by LC–MS/MS under the validated conditions. Raw concentration values, replicate measurements, physicochemical parameters (pH, dry matter), and slice masses are provided in Lanyi_et_al_FC_rawdata.xlsx. Concentrations were not normalised to slice mass; mass‑corrected leaching efficiencies were calculated separately. Derived values and statistical analysis Mean concentrations and expanded measurement uncertainties were calculated for each matrix. Leaching efficiency was computed using the initial residue levels measured in untreated lemon slices. A Pearson correlation matrix was generated to explore associations between leaching behaviour and matrix properties. All derived values are included alongside the raw data to ensure full reproducibility.
Institutions
- University of Veterinary MedicineBudapest, Budapest