20.500.12556/DKUM-96773 From surface to core comprehensive ToF-SIMS insights into pharmaceutical tablet analysis This study presents an innovative approach to pharmaceutical analysis using time-of-flight secondary ion mass spectrometry (ToF-SIMS) to investigate tablets containing paracetamol in the solid state without the need for traditional pretreatment methods (dissolution, filtration, etc.). Employing both MS1 and MS2 ToF-SIMS spectra, signals characteristic of paracetamol and a fragmentation mechanism were assigned. Some findings challenge previous interpretations of certain ToF-SIMS signals attributed to paracetamol, highlighting the need for reevaluation. Moreover, as the sample was used without any pretreatment (a purchased tablet), which has a complex matrix, the resulting ToF-SIMS mass spectra can suffer from spectral interferences. The use of multivariate statistical analysis resulted in the assignment of unique signals for paracetamol. Additionally, ToF-SIMS imaging was utilized with high mass and lateral resolution, employing the delayed-extraction ToF analyzer mode, to image the two-dimensional distribution of species on the tablet’s surface with an emphasis on paracetamol distribution. The use of a gas cluster ion beam (GCIB) sputtering source in association with ToF-SIMS enabled the visualization of the three–dimensional distribution of species within the tablet. This thorough investigation advances knowledge regarding the characterization of paracetamol and offers the examination of pharmaceuticals without sample pretreatment with elemental and molecular-specific information. 2D and 3D imaging mass spectrometry tandem MS/MS paracetamol ToF-SIMS masna spektrometrija slike true false true Elsevier Angleški jezik Slovenski jezik https://www.sciencedirect.com/journal/microchemical-journal © 2024 The Author(s) Članek v reviji 2026-01-28 10:58:44 2026-01-28 10:58:44 2026-01-29 03:11:47 0000-00-00 00:00:00 2024 0 0 9 str. Vol. 202, [article no.] 110835 2024 0000-00-00 Zaloznikova Objavljeno NiDoloceno 2024-03-17 2024-05-20 2024-05-22 544.5/.6 196997123 10.1016/j.microc.2024.110835 1095-9149 1-s2.0-S0026265X24009470-main.pdf 1-s2.0-S0026265X24009470-main.pdf 1 56A607BD325B45B531F4F029D63E05E7 74a917773f3d4182e0ffb30fa66faf97f512870139ac34225cdc82f3a099bb6e 3dfff8dc-fc30-11f0-9a72-00155d00018d https://dk.um.si/Dokument.php?lang=slv&id=202678 https://www.sciencedirect.com/science/article/pii/S0026265X24009470?via%3Dihub#da005 0 452f0ceb-fc30-11f0-9a72-00155d00018d https://dk.um.si/Dokument.php?lang=slv&id=202679 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0