抗癌药物达卡巴嗪在 Si60、C60、B30N30、Sc-Si60、Sc-C60、Sc-B30N30 纳米笼上的吸附作用

IF 2.8 3区材料科学 Q3 CHEMISTRY, PHYSICAL Silicon Pub Date : 2024-07-25 DOI:10.1007/s12633-024-03099-1

Junjuan Zhang, Xiangtao Yu, Jing Wang, Xiangwen Yao

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引用次数: 0

摘要

这项研究考察了 Si60、C60、B30N30、Sc-Si60、Sc-C60、Sc-B30N30 释放达卡巴嗪的能力。Sc-Si60、Sc-C60 和 Sc-B30N30 的生态吸附力分别为 -4.45、-4.57 和 -4.70eV。Si60、C60 和 B30N30 纳米笼的生态粘性分别为-6.23、-6.51 和 -6.86 eV，因此 Si60、C60 和 B30N30 纳米笼是稳定的纳米结构。结果表明，Sc-B30N30 具有可接受的吸附和递送达卡巴嗪的潜力。结果表明，与之前的其他纳米结构相比，Sc-Si60、Sc-C60 和 Sc-B30N30 纳米笼具有更高的输送和转移达卡巴嗪抗癌药物的能力。达卡巴嗪在 Si60、C60、B30N30、Sc-Si60、Sc-C60、Sc-B30N30 纳米笼上的吸附τ 值分别为 48.8、51.1、54.2、54.9、57.5 和 62.1 s。最后，建议使用 Sc-B30N30 吸附和递送达卡巴嗪。

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Adsorption of Dacarbazine as Anticancer Drug on Si60, C60, B30N30, Sc-Si60, Sc-C60, Sc-B30N30 Nanocages

In this work, the capacities of Si₆₀, C₆₀, B₃₀N₃₀, Sc-Si₆₀, Sc-C₆₀, Sc-B₃₀N₃₀ to deliver the Dacarbazine are examined. The E_adoption of Sc-Si₆₀, Sc-C₆₀ and Sc-B₃₀N₃₀ are -4.45, -4.57 and -4.70 eV. The E_cohesive of Si₆₀, C₆₀ and B₃₀N₃₀ nanocages are -6.23, -6.51 and -6.86 eV, respectively and so the Si₆₀, C₆₀ and B₃₀N₃₀ nanocages are stable nanostructures. Results shown than the Sc-B₃₀N₃₀ has acceptable potential to adsorb and deliver the Dacarbazine. Results shown that the Sc-Si₆₀, Sc-C₆₀ and Sc-B₃₀N₃₀ nanocages have higher capacitates and abilities to deliver and transfer of the Dacarbazine as anticancer drug than other nanostructures in previous works. The adsorption of Dacarbazine on Si₆₀, C₆₀, B₃₀N₃₀, Sc-Si₆₀, Sc-C₆₀, Sc-B₃₀N₃₀ nanocages have the τ values ca 48.8, 51.1, 54.2, 54.9, 57.5 and 62.1 s, respectively. Finally, the Sc-B₃₀N₃₀ is proposed to adsorb and deliver the Dacarbazine.

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来源期刊

Silicon CHEMISTRY, PHYSICAL-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

5.90

自引率

20.60%

发文量

685

审稿时长

>12 weeks

期刊介绍： The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.