Thermal analysis (DSC, TGA) of S1, S3 and S4

Native DSC (.d6d) and TGA (.stad) files of S1, S3 and S4 with exports and reports, and the S4 heat-cool-heat DSC (second heating) and repeat TGA run. Methods: Measurement site CAIF, Manipal Academy of Higher Education (main S1, S3 and S4 sets): PerkinElmer DSC 6000 and STA 6000; N2 atmosphere, 10 K/min; DSC first heating. Measurement site Konspec SSG (S4 only, exported as X-Y point files and workbooks): PerkinElmer DSC 6000, Al 40 uL pan, N2 30 mL/min, heat-cool-heat 0-350 °C at 10 °C/min (July 2025; second-heating Tg = 123.49 °C, half-Cp); PerkinElmer TGA 4000, quartz crucible, N2, 48-630 °C at 10 °C/min (June 2025). Files: native instrument files, text/workbook exports and the instrument reports (PDF). Layout: per-material folders S1/, S3/ and S4/. Code names: DB4 = S1 (main batch); DBPYBPS = second, less pure S1 batch (flagged, never pooled); DDPYS/DOPYS = S3; DOPS = S4 (source file names resolved against HR-LCMS/NMR, 24 Oct 2026); code-name subfolders S1/S1_DB4, S1/S1_DBPYBPS, S3/S3_DDPYS, S4/S4_DOPS, processed/ (numerical tables) and REF_reference_materials/ where present. MANIFEST.csv gives the SHA-256, material, original code name, original path and acquisition date of every file; see README.md. Acknowledgements: Host materials S1, S3 and S4 were synthesised and supplied by the group of Prof. Jayathirtha Rao Vaidya, CSIR-Indian Institute of Chemical Technology (CSIR-IICT), Hyderabad. M. Dash acknowledges an institutional research fellowship from NITK Surathkal.