PDF(Pubmed)
Abstract：
The growing number of acute drug abuse overdoses demands the development of innovative detoxification strategies for emergency purposes. In this study, an innovative approach for the application of porous Zr-based metal-organic frameworks for the treatment of acute overdoses of popular drugs of abuse including amphetamine, methamphetamine, cocaine, and MDMA is presented. A comprehensive approach determining the efficacy and the kinetics of drug removal, considering dosage, adsorption time, and adsorption mechanisms, was tested and corroborated with density functional theory (DFT) modeling. The experimental results showed high removal efficiency reaching up to 90% in the case of the application of the NU-1000 metal-organic framework. The difference Raman spectroscopy method presented in this study corroborated with DFT-based vibrational analysis allows the detection of drug adsorbed in the MOF framework even with as low a concentration as 5 mg/g. Additionally, the drug adsorption mechanisms were modeled with DFT, showing the π-π stacking in a vast majority of considered cases. The performance and influence on the living organisms were evaluated throughout the in vitro and in vivo experiments, indicating that Zr-based MOFs could serve as efficient, organic, safe drug adsorbents.
摘要：
越来越多的急性药物滥用过量需要为紧急目的制定创新的戒毒策略。在这项研究中,一种应用多孔Zr基金属有机框架治疗包括安非他明在内的滥用流行药物急性过量的创新方法，甲基苯丙胺,可卡因,并介绍了MDMA。确定药物去除的功效和动力学的综合方法，考虑到剂量，吸附时间,和吸附机制，用密度泛函理论(DFT)建模进行了测试和验证。实验结果表明，在应用NU-1000金属有机骨架的情况下，高去除效率可达90％。本研究中提出的差异拉曼光谱方法通过基于DFT的振动分析得到证实，即使浓度低至5mg/g，也可以检测吸附在MOF框架中的药物。此外,药物吸附机理用DFT建模，在绝大多数考虑的情况下显示π-π堆叠。在整个体外和体内实验中评估了对生物体的性能和影响，表明Zr基MOFs可以作为有效的，有机,安全的药物吸附剂。
