Patel Nihal, Modi Krunal, Bhatt Keyur, Parikh Jaymin, Desai Ajay, Jain Bhavesh, Parmar Nirali, Patel Chirag N, Liska Alan, Ludvik Jiri, Pillai Shibu, Mohan Brij
Department of Chemistry, Faculty of Science, Ganpat University, Kherva, Mehsana, Gujarat 384012, India.
Department of Humanity and Sciences, Indrashil University, Kadi, Mehsana, Gujarat 382740, India.
ACS Omega. 2023 Oct 24;8(44):41523-41536. doi: 10.1021/acsomega.3c05510. eCollection 2023 Nov 7.
The detection of trace amounts of sulfosulfuron, a pesticide of increasing importance, has become a pressing issue, prompting the development of effective chemosensors. In this study, we functionalized cyclotricatechylene (CTC) with propyl-phthalimide due to the presence of electronegative oxygen and nitrogen binding sites. Our optimized ligand displayed the highest docking score with sulfosulfuron, and experimental studies confirmed a significant fluorescence enhancement upon its interaction with sulfosulfuron. To gain a deeper understanding of the binding mechanism, we introduced density functional theory (DFT) studies. We carried out binding constant, Job's plot, and limit of detection (LOD) calculations to establish the effectiveness of our chemosensor as a selective detector for sulfosulfuron. These findings demonstrate the potential of our chemosensor for future applications in the field of pesticide detection.
检测痕量的磺酰磺隆（一种日益重要的农药）已成为一个紧迫的问题，这促使人们开发有效的化学传感器。在本研究中，由于存在带负电的氧和氮结合位点，我们用丙基邻苯二甲酰亚胺对环三聚间苯二酚杯芳烃（CTC）进行了功能化。我们优化后的配体与磺酰磺隆的对接分数最高，实验研究证实其与磺酰磺隆相互作用时荧光显著增强。为了更深入地了解结合机制，我们引入了密度泛函理论（DFT）研究。我们进行了结合常数、Job曲线和检测限（LOD）计算，以确定我们的化学传感器作为磺酰磺隆选择性检测器的有效性。这些发现证明了我们的化学传感器在未来农药检测领域应用的潜力。
