Department of Physics, Fatima Mata National College (Autonomous), Kollam, Kerala, India.
Department of Physics, Fatima Mata National College (Autonomous), Kollam, Kerala, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Jan 5;244:118865. doi: 10.1016/j.saa.2020.118865. Epub 2020 Aug 22.
Recently nanocluster based drug delivery systems have become the most skillful to study. Interaction mechanism of duphaston (DPH) over graphene (G), carboxyl substituted graphene (COG) and doped COG-X (X = O/S/N/B) were investigated. We studied different spectroscopic properties of adsorbed DPH with nanoclusters. To study effect adsorption of DPH with nanoclusters, the adsorption energies were measured. To track DPH, surface enhanced Raman scattering is used since it is an efficient approach to vibrational spectroscopy. The DPH detection was investigated using GQDs SERS property. For the adsorption of DPH with COG-B nanocluster maximum energy interaction is determined. DPH works on the electrophilic site of nanoclusters as donor of electrons and adsorbs. Charge transfer is higher for to COG-B nanocluster than for other nanoclusters. Variations in chemical descriptors are also noted to understand sensing property of DPH molecule-nanoclusters. The analysis of different properties demonstrates enhancement effect which makes it significant in detecting DPH in other products.
近年来,基于纳米团簇的药物传递系统已成为最受关注的研究领域。本文研究了地屈孕酮(DPH)与石墨烯(G)、羧基取代石墨烯(COG)和掺杂 COG-X(X=O/S/N/B)之间的相互作用机制。我们研究了纳米团簇吸附 DPH 的不同光谱特性。为了研究 DPH 与纳米团簇的吸附效果,测量了吸附能。为了跟踪 DPH,我们使用表面增强拉曼散射(SERS),因为它是一种有效的振动光谱方法。利用 GQDs 的 SERS 特性研究了 DPH 的检测。对于 COG-B 纳米团簇与 DPH 的吸附,确定了最大能量相互作用。DPH 作为电子给体作用于纳米团簇的亲电位点并发生吸附。与其他纳米团簇相比,DPH 与 COG-B 纳米团簇之间的电荷转移更高。还注意到化学描述符的变化,以了解 DPH 分子-纳米团簇的传感特性。不同性质的分析表明存在增强效应,这使得它在检测其他产品中的 DPH 方面具有重要意义。