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Study of the interaction between cisplatin and the Au-18(SR)(14) cluster: in search of an appropriate cisplatin carrier

机译:顺铂与AU-18(SR)(14)簇之间的相互作用的研究:寻找合适的顺铂载体

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摘要

Cisplatin is a well known anti-cancer drug and considered as essential by the World Health Organization. However, cisplatin features side effects during medical treatments due to its lack of selectivity resulting in the indiscriminate death of cells including healthy cells. To solve this issue, it is mandatory to improve its delivery towards affected organs or tissues. The well known bio-compatibility of gold clusters encouraged us to study the interaction between cisplatin molecules and the Au-18(SR)(14) cluster (named Au-18) and our DFT calculations have provided insight into this aspect. Calculated adsorption energy values of the cisplatin(n)/Au-18 complexes are within the 0.5-3.6 eV range, which attests to their unique interaction. In addition, their calculated optical absorption (UV-vis) and circular dichroism (CD) spectra display distinct peaks in such a manner that UV/CD spectra can be used as fingerprints by experimentalists.
机译:顺铂是一种公知的抗癌药物,并认为世界卫生组织必不可少。 然而,由于其缺乏选择性导致包括健康细胞的细胞不分青红皂白死亡,因此,顺铂在医学治疗期间具有副作用。 为了解决这个问题,必须改善其向受影响的器官或组织的交付。 众所周知的金簇的生物兼容性鼓励我们研究顺铂分子和Au-18(SR)(14)(14)簇(命名为AU-18)之间的相互作用,我们的DFT计算已经为这方面提供了深入。 顺铂(N)/ Au-18络合物的计算吸附能量值在0.5-3.6 eV范围内,其证明其独特的相互作用。 另外,它们计算的光学吸收(UV-VI)和圆形二色性(CD)光谱以这样的方式显示不同的峰,即UV / CD光谱可以通过实验主义者用作指纹。

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