Turmeric (Curcuma longa L., Zingiberaceae) is a widely consumed spice and functional food valued for its bioactive constituents. Using an activity-guided strategy, this study identified the dichloromethane fraction as the most potent anti-inflammatory fraction, exhibiting markedly stronger inhibition of reactive oxygen species (ROS) production than ibuprofen (IC₅₀ $\le$ 0.4 vs. 11.2 μg/mL). Bioassay-guided purification yielded bisacurone (1), didemethoxycurcumin (2), and β-turmerone (3), with compounds 1 and 2 reported here for the first time in this fraction. Among them, β-turmerone displayed the strongest anti-inflammatory activity (IC₅₀ = 4.7 μg/mL), consistent with in silico docking and molecular dynamics analyses, revealing greater binding affinity and complex stability with myeloperoxidase (ΔG_bind = −20.90 vs. −18.89 kcal/mol for ibuprofen). Gas chromatography–mass spectrometry (GC-MS) profiling revealed a phytochemical profile dominated by turmerones and curlone, correlating with the observed bioactivity. None of the fractions exhibited acute toxicity in brine shrimp lethality assays, indicating a favorable preliminary safety profile. Our findings demonstrate the value of activity-guided isolation combined with computational validation for identifying turmeric-derived bioactives with promising nutraceutical potential, warranting further in vivo evaluation.

Sodium-ion batteries (SIBs) are emerging as a cost-effective and sustainable alternative to lithium-ion batteries, yet they face challenges such as lower energy density and electrode material instability. This study explores the potential of coronene and circumcoronene-based graphene quantum dots (GQDs) as anode materials for SIBs, focusing on three adsorption areas: central, intermediate, and edge, under two battery conditions: charging and discharging. By addressing these limitations through advanced nanostructuring, we employeddensityfunctional theory (DFT) withtheM06-2X/6-31G+(d)leveloftheorytoconductcomprehensive analyses of sodium adsorption on GQDs. Our findings reveal that both coronene and circumcoronene GQDs preferentially adsorb sodium at the edge areas due to the highest energy adsorption. In discharging conditions, coronene exhibited an adsorption energy of-1.09 kcal/mol, while circumcoronene showed-9.84 kcal/mol. In charging conditions, the adsorption energies were-33.44 kcal/mol for coronene and-37.19 kcal/mol for circumcoronene. Additionally, the energy gap of GQDs was significantly reduced after sodium adsorption, from 5.84 eV to 1.38 eV for coronene and from 4.33 eV to 1.63 eV for circumcoronene. Both GQDs showed theoretical voltages in the range of 1.40 to 1.47 V for coronene and 1.19 to 1.22 V for circumcoronene, respectively. Conclusively, our study recommends circumcoronene as large-sized GQDs as optimal SIB anode materials, offering higher adsorption energy, good conductivity, and reasonable electrochemical performance. This research addresses a theoretical gap by illuminating the impact of Na adsorption on GQDmolecular and electronic structures, aiding in the design of enhanced capacity nano-anodes for SIBs.