Research data supporting the study of edible NADES for the extraction of Nigella sativa bioactives

This repository contains research data supporting the manuscript “From Solvent Design to Biological Response: Structure–Property Relationships of Edible Natural Deep Eutectic Solvents for the Extraction of Nigella sativa Bioactives”. The manuscript was submitted to Molecules (MDPI), Section Molecular Liquids, for the Special Issue “Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: From Fundamentals to Applications”. The deposited files are organized into three distinct data groups: (i) the ATR-FTIR dataset contains individual spectra of the neat NADES formulations N1–N12, their corresponding NADES-based extracts E1–E12, and the reference ethanolic extracts E13–E14; (ii) the DSC datasets contain thermogram images only for the neat NADES formulations N1–N12 and their corresponding NADES-based extracts E1–E12 and do not include ethanolic extracts; and (iii) the editable GraphPad Prism 11 projects contain the underlying TPC and ABTS data and statistical analyses for Figure 4 and the MTT cell-viability data and statistical analyses for Figure 7. The dataset enables independent inspection of spectral stability, thermal behaviour, extraction performance, antioxidant activity, and cytocompatibility. Sample codes N1–N12 denote the neat NADES formulations, E1–E12 their corresponding Nigella sativa seed extracts, E13 the ultrasound-assisted ethanolic extract, and E14 the Soxhlet ethanolic extract. Spectra of the pure starting substances are presented in the associated Supplementary Information and are not duplicated here.