Electrochemical anticancer drug sensor for determination of raloxifene in the presence of tamoxifen using graphene-CuO-polypyrrole nanocomposite structure modified pencil graphite electrode: Theoretical and experimental investigation
Electrochemical anticancer drug sensor for determination of raloxifene in the presence of tamoxifen using graphene-CuO-polypyrrole nanocomposite structure modified pencil graphite electrode: Theoretical and experimental investigation
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DOI：
10.1016/j.molliq.2020.113314
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发表时间：
2020-08-01
影响因子：
6
通讯作者：
Govender, Penny Poomani
中科院分区：
文献类型：
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作者：
Fouladgar, Masoud;Karimi-Maleh, Hassan;Govender, Penny Poomani
结合石墨烯和CuO纳米粒子的特性，建立了同时测定两种抗癌药物雷洛昔芬和他莫昔芬的方法。制备了石墨烯和CuO纳米粒子，并将石墨烯-CuO-聚吡咯纳米复合物（GO-CuO-PP/PGE）修饰铅笔石墨电极。雷洛昔芬和他莫昔芬在修饰电极上有明显的峰电流。采用电化学方法研究了雷洛昔芬在GO-CuO-PP/PGE上的电化学行为，得到了雷洛昔芬在GO-CuO-PP/PGE上的电化学行为特征。采用第一性原理计算方法，通过货车德尔瓦尔斯修正，系统研究了雷洛昔芬分子在GO-CuO表面的吸附行为，重点研究了功函数、能量学、电荷转移、结构和电子性质.作为电荷供体的雷洛昔芬分子在GO-CuO表面上强烈化学吸附（-4.542至-8.813 eV）。我们观察到雷洛昔芬分子吸附后功函数下降。电荷密度差和投影态密度的综合分析表明，强的化学键。(C)2020 Elsevier B. V.保留所有权利。
Combination of the features of graphene and CuO nanoparticles has been applied for simultaneous determination of two anti-cancer drugs, raloxifene and tamoxifen. Graphene and CuO nanoparticles were synthesized and pencil graphite electrode was modified by graphene-CuO-polypyrrole nanocomposite (GO-CuO-PP/PGE). Raloxifene and tamoxifen had distinguished peaks current on modified electrode. The electrochemical behavior of raloxifene on the GO-CuO-PP/PGE was study using electrochemical approaches and analytical features were obtained. Using first-principles calculation, we systematically examine the adsorption mechanism of raloxifene molecule by employing van der Waals corrections to investigate the adsorption behavior of raloxifene molecule on GO-CuO surface, focusing on the work function, energetics, charge transfer, structural and electronic properties. Raloxifene molecule acting as charge donors was strongly chemisorbed (-4.542 to -8.813 eV) on the GO-CuO surface. We observed a drop in the work function after raloxifene molecule adsorption. A comprehensive analysis of the charge density difference and the projected density of states demonstrate a strong chemical bonding. (C) 2020 Elsevier B.V. All rights reserved.