Enhancing the Water Solubility of 9-Fluorenone Using Cyclodextrin Inclusions: A Green Approach for the Environmental Remediation of OPAHs

Oxygenated polycyclic aromatic hydrocarbons (OPAHs) are toxic and carcinogenic compounds widely present in the natural environment, posing a serious threat to environment human health. However, removal of OPAHs is mainly hindered by their low water solubility. Cyclodextrins (CDs) frequently used form inclusion complexes (ICs) with hydrophobic molecules improve In this study, we investigated solubility enhancement ability different CDs on 9-fluorenone, common OPAH, through phase experiments. We successfully prepared three solid ICs 9-fluorenone β-, hydroxypropyl-β-(HP-β-) sulfobutylether-β-CD (SBE-β-CD) using cooling crystallization method for first time characterized them via powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, etc. Molecular dynamics simulations were employed investigate binding modes stable configurations liquid explore factors affecting ability. The results showed that all had effect SBE-β-CD displaying strongest effect, increasing 146 times. HP-β-CD, β-CD, α-CD, γ-CD followed decreasing order. Moreover, formed ratio 1:1 CDs. addition, interaction energy between was lowest among CDs, which further validated experiments from theoretical perspective. Overall, study provides green pollutants expected be applied environmental remediation other OPAHs.