C M Anusha, Dyagala Shalini, Choppella Sairathna, Ravva Mahesh Kumar, Saha Subit Kumar
Department of Chemistry, Birla Institute of Technology & Science (BITS) Pilani, Hyderabad Campus, Hyderabad, Telangana, 500078, India.
Department of Chemistry, SRM University-AP, Amaravati, 522240, India.
ChemistryOpen. 2025 Oct;14(10):e202500152. doi: 10.1002/open.202500152. Epub 2025 May 4.
Perchlorate ions (ClO ) are prevalent contaminants in the surface, and drinking water that disrupt thyroid function by competitively inhibiting the sodium-iodide symporter (NIS), posing significant health risks. Here, fluorescence-based logic gates have been constructed by leveraging the binding interactions between a hemicyanine dye, 4-[4-(dimethylamino)-styryl]-1-docosylpyridinium bromide (DASPC22) and β-cyclodextrin (β-CD) that could be useful to know whether ClO ions in water are within the toxicity range or not. In aqueous media, DASPC22 forms nonfluorescent H-aggregates, but fluorescence is enhanced upon forming host-guest inclusion complexes with β-CD. At low ClO ions concentrations, fluorescence intensity further increases due to enhanced complex stability through hydrogen bonding. ONIOM-based quantum chemical calculations have supported this phenomenon. The enhancement of fluorescence intensity of DASPC22 in the presence of β-CD and a low concentration of ClO ions leads to the construction of a YES logic gate that would enable one to quantify ClO ions' toxicity range in water. Dual-input-single-output AND and INHIBIT logic gates with low and high concentrations of ClO ions, respectively, have also been constructed. The present system could be useful in addressing safety concerns related to perchlorate contamination of water.
高氯酸根离子(ClO⁻)是地表水和饮用水中普遍存在的污染物,它通过竞争性抑制钠-碘同向转运体(NIS)来破坏甲状腺功能,从而带来重大健康风险。在此,利用半菁染料4-[4-(二甲基氨基)-苯乙烯基]-1-二十二烷基吡啶溴化物(DASPC22)与β-环糊精(β-CD)之间的结合相互作用构建了基于荧光的逻辑门,这对于了解水中的ClO⁻离子是否在毒性范围内可能是有用的。在水性介质中,DASPC22形成非荧光的H-聚集体,但与β-CD形成主客体包合物时荧光会增强。在低ClO⁻离子浓度下,由于通过氢键增强了配合物稳定性,荧光强度进一步增加。基于ONIOM的量子化学计算支持了这一现象。在β-CD和低浓度ClO⁻离子存在下DASPC22荧光强度的增强导致构建了一个“是”逻辑门,该逻辑门能够量化水中ClO⁻离子的毒性范围。还分别构建了具有低浓度和高浓度ClO⁻离子的双输入单输出“与”逻辑门和“抑制”逻辑门。本系统可能有助于解决与高氯酸盐水污染相关的安全问题。