Junjuan Zhang, Xiangtao Yu, Jing Wang, Xiangwen Yao
{"title":"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","authors":"Junjuan Zhang, Xiangtao Yu, Jing Wang, Xiangwen Yao","doi":"10.1007/s12633-024-03099-1","DOIUrl":null,"url":null,"abstract":"<div><p>In this work, the capacities of Si<sub>60</sub>, C<sub>60</sub>, B<sub>30</sub>N<sub>30</sub>, Sc-Si<sub>60</sub>, Sc-C<sub>60</sub>, Sc-B<sub>30</sub>N<sub>30</sub> to deliver the Dacarbazine are examined. The E<sub>adoption</sub> of Sc-Si<sub>60</sub>, Sc-C<sub>60</sub> and Sc-B<sub>30</sub>N<sub>30</sub> are -4.45, -4.57 and -4.70 eV. The E<sub>cohesive</sub> of Si<sub>60</sub>, C<sub>60</sub> and B<sub>30</sub>N<sub>30</sub> nanocages are -6.23, -6.51 and -6.86 eV, respectively and so the Si<sub>60</sub>, C<sub>60</sub> and B<sub>30</sub>N<sub>30</sub> nanocages are stable nanostructures. Results shown than the Sc-B<sub>30</sub>N<sub>30</sub> has acceptable potential to adsorb and deliver the Dacarbazine. Results shown that the Sc-Si<sub>60</sub>, Sc-C<sub>60</sub> and Sc-B<sub>30</sub>N<sub>30</sub> 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 Si<sub>60</sub>, C<sub>60</sub>, B<sub>30</sub>N<sub>30</sub>, Sc-Si<sub>60</sub>, Sc-C<sub>60</sub>, Sc-B<sub>30</sub>N<sub>30</sub> nanocages have the τ values ca 48.8, 51.1, 54.2, 54.9, 57.5 and 62.1 s, respectively. Finally, the Sc-B<sub>30</sub>N<sub>30</sub> is proposed to adsorb and deliver the Dacarbazine.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":null,"pages":null},"PeriodicalIF":2.8000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Adsorption of Dacarbazine as Anticancer Drug on Si60, C60, B30N30, Sc-Si60, Sc-C60, Sc-B30N30 Nanocages\",\"authors\":\"Junjuan Zhang, Xiangtao Yu, Jing Wang, Xiangwen Yao\",\"doi\":\"10.1007/s12633-024-03099-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this work, the capacities of Si<sub>60</sub>, C<sub>60</sub>, B<sub>30</sub>N<sub>30</sub>, Sc-Si<sub>60</sub>, Sc-C<sub>60</sub>, Sc-B<sub>30</sub>N<sub>30</sub> to deliver the Dacarbazine are examined. The E<sub>adoption</sub> of Sc-Si<sub>60</sub>, Sc-C<sub>60</sub> and Sc-B<sub>30</sub>N<sub>30</sub> are -4.45, -4.57 and -4.70 eV. The E<sub>cohesive</sub> of Si<sub>60</sub>, C<sub>60</sub> and B<sub>30</sub>N<sub>30</sub> nanocages are -6.23, -6.51 and -6.86 eV, respectively and so the Si<sub>60</sub>, C<sub>60</sub> and B<sub>30</sub>N<sub>30</sub> nanocages are stable nanostructures. Results shown than the Sc-B<sub>30</sub>N<sub>30</sub> has acceptable potential to adsorb and deliver the Dacarbazine. Results shown that the Sc-Si<sub>60</sub>, Sc-C<sub>60</sub> and Sc-B<sub>30</sub>N<sub>30</sub> 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 Si<sub>60</sub>, C<sub>60</sub>, B<sub>30</sub>N<sub>30</sub>, Sc-Si<sub>60</sub>, Sc-C<sub>60</sub>, Sc-B<sub>30</sub>N<sub>30</sub> nanocages have the τ values ca 48.8, 51.1, 54.2, 54.9, 57.5 and 62.1 s, respectively. Finally, the Sc-B<sub>30</sub>N<sub>30</sub> is proposed to adsorb and deliver the Dacarbazine.</p></div>\",\"PeriodicalId\":776,\"journal\":{\"name\":\"Silicon\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-07-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Silicon\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12633-024-03099-1\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Silicon","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s12633-024-03099-1","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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 Eadoption of Sc-Si60, Sc-C60 and Sc-B30N30 are -4.45, -4.57 and -4.70 eV. The Ecohesive 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.
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.
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