A perylene derivative for multi-hazard detection in environmental monitoring: Demonstration via DFT, cellular imaging, and real-time applications

• Perylene derivative ‘ PDIDE ’ detects Cs + , OH - , and Picric Acid (PA). • The sensor responses have negligible interference effect with nanomolar detection limits. • UV/PL, NMR, mass, and FTIR studies clarify the binding modes and sensor mechanisms. • Assemblies, aggregations, and transport mechanisms are clarified through evidence. • Real and bio-imaging applications define effectiveness in environmental monitoring. Simultaneous detection of multiple hazards like cesium (Cs⁺), hydroxide ions (OH⁻), and picric acid (PA) using a fluorescent probe has not been reported before. To address this, a perylene derivative called PDIDE was synthesized and effectively used to detect Cs⁺, OH⁻, and PA with minimal interference. UV-visible and photoluminescence (PL) spectral analyses, along with colorimetric and fluorometric images, clearly demonstrate the sensor's selectivity for PDIDE . The PL linear response ranges of PDIDE for Cs⁺, OH⁻, and PA are set between 0.2–500, 0.3–1000, and 0.1–100 µM, with detection limits (LODs) of 180, 233, and 71 nM, respectively. Job's plots indicate 1:2 (for Cs⁺ and OH⁻) and 2:1 (for PA) stoichiometries. Association constants (K a ) for PDIDE with Cs⁺, OH⁻, and PA are estimated at 8.261 × 10⁻⁵ M⁻², 5.628 × 10⁻⁴ M⁻², and 5.375 × 10⁻⁶ M⁻², respectively. Binding modes, bandgap changes, and mechanisms are analyzed using nuclear magnetic resonance (NMR), mass spectrometry, Fourier-transform infrared spectroscopy (FTIR), density functional theory (DFT), and time-resolved photoluminescence (TRPL). Biocompatibility and sensor applicability are demonstrated through sulforhodamine B (SRB) assays, paper strips, cotton buds, fish, and cellular imaging studies. Spiked interrogations of tap water, Radix Hedysari extract, Nelumbinis Stamen extract, corroded iron rod extract, and soil water extract at various concentrations lead to 63 data points, showing > 93% recoveries with relative standard deviation (RSD) values of < 5%, confirming the sensor's practical utility.