Abstract

Nanocluster based drug delivery systems are very useful in modern medical treatment and interaction mechanism of desflurane (DES), isoflurane ISO), sevoflurane (SEV) over carboxyl substituted graphene-doped with O and S atoms were investigated in the present study. Different electronic and chemical properties of adsorbed desflurane, isoflurane and sevoflurane with nanoclusters are analyzed. To track the drugs, SERS is used as an efficient method and drug’s detection was analyzed using SERS. DES’s energy over GQD-S is greater than that over GQD-O nanocluster and for ISO and SEV, adsorption energies over the O/S nanoclusters are same. The title drugs work on the reactives sites and got adsorbed. For ISO, there is an increase in fluorine atom charges and for DES and SEV, the fluorine atom charge decreases due to adsorption in both O/S nanoclusters. Changes in chemical descriptors are identified for the sensing property of drug-nanoclusters.

Communicated by Ramaswamy H. Sarma

摘要

基于纳米簇的药物递送系统在现代医学中非常有用，并且在本研究中研究了地氟醚（DES），异氟烷（ISO），七氟醚（SEV）在掺杂有O和S原子的羧基取代石墨烯上的相互作用机理。分析了纳米团簇吸附的地氟醚，异氟烷和七氟醚的不同电子和化学性质。为了跟踪药物，SERS被用作一种有效的方法，并使用SERS分析了药物的检测。DES在GQD-S上的能量大于在GQD-O纳米簇上的能量，而对于ISO和SEV，在O / S纳米簇上的吸附能量是相同的。标题药物在反应部位上起作用并被吸附。对于ISO，氟原子电荷增加，而对于DES和SEV，由于两个O / S纳米簇中的吸附，氟原子电荷减少。

由Ramaswamy H.Sarma沟通