Farag M. A. Altalbawy, Irwanjot Kaur, Abhishek Kumar, Mamata Chahar, Suman Saini, Uday Abdul-Reda Hussein, Faraj Mohammed, Mustafa Adnan Abdulrahman, Ashwaq T. Kareem, Marwea Al-Hedrewy
{"title":"Si50、C50、B25P25、Fe-Si50、Fe-C50和Fe-B25P25纳米笼用于抗癌药物丙卡嗪的容量研究","authors":"Farag M. A. Altalbawy, Irwanjot Kaur, Abhishek Kumar, Mamata Chahar, Suman Saini, Uday Abdul-Reda Hussein, Faraj Mohammed, Mustafa Adnan Abdulrahman, Ashwaq T. Kareem, Marwea Al-Hedrewy","doi":"10.1007/s12633-024-03190-7","DOIUrl":null,"url":null,"abstract":"<div><p>The abilities of Si<sub>50</sub>, C<sub>50</sub>, B<sub>25</sub>P<sub>25</sub>, Fe-Si<sub>50</sub>, Fe-C<sub>50</sub>, Fe-B<sub>25</sub>P<sub>25</sub> to deliver the Procarbazine are investigated. The thermodynamic parameters of interactions of Procarbazine with Si<sub>50</sub>, C<sub>50</sub>, B<sub>25</sub>P<sub>25</sub>, Fe-Si<sub>50</sub>, Fe-C<sub>50</sub>, Fe-B<sub>25</sub>P<sub>25</sub> nanocages are examined. The ΔG<sub>adsorption</sub> of Procarbazine on silicon and carbon nanocages are calculated by computational models to propose the nanocages with high capacity to adsorb the Procarbazine. Results have shown that the Si<sub>50</sub>, C<sub>50</sub>, B<sub>25</sub>P<sub>25</sub>, Fe-Si<sub>50</sub>, Fe-C<sub>50</sub>, Fe-B<sub>25</sub>P<sub>25</sub> nanocages are stable nanostructures from thermodynamic viewpoint. The ΔG<sub>adsorption</sub> values of Si<sub>50</sub>-Procarbazine, C<sub>50</sub>-Procarbazine, B<sub>25</sub>P<sub>25</sub>-Procarbazine, Fe-Si<sub>50</sub>-Procarbazine, Fe-C<sub>50</sub>-Procarbazine and Fe-B<sub>25</sub>P<sub>25</sub>-Procarbazine are -3.04, -3.15, -3.29, -3.77, -3.90 and -4.00 eV. The Fe-B<sub>25</sub>P<sub>25</sub> has suitable capacity to deliver the Procarbazine. The metals can improve the recovery times of Procarbazine on silicon and carbon nanocages. The ΔG<sub>adsorption</sub> value of Fe-B<sub>25</sub>P<sub>25</sub>-Procarbazine is higher than Fe-C<sub>50</sub> for delivering the Procarbazine. The Fe-B<sub>25</sub>P<sub>25</sub> is suggested as acceptable material to deliver the Procarbazine.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 1","pages":"121 - 129"},"PeriodicalIF":2.8000,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Examination of Capacities of Si50, C50, B25P25, Fe-Si50, Fe-C50 and Fe-B25P25 Nanocages for Procarbazine Delivery as Anticancer Drug\",\"authors\":\"Farag M. A. Altalbawy, Irwanjot Kaur, Abhishek Kumar, Mamata Chahar, Suman Saini, Uday Abdul-Reda Hussein, Faraj Mohammed, Mustafa Adnan Abdulrahman, Ashwaq T. Kareem, Marwea Al-Hedrewy\",\"doi\":\"10.1007/s12633-024-03190-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The abilities of Si<sub>50</sub>, C<sub>50</sub>, B<sub>25</sub>P<sub>25</sub>, Fe-Si<sub>50</sub>, Fe-C<sub>50</sub>, Fe-B<sub>25</sub>P<sub>25</sub> to deliver the Procarbazine are investigated. The thermodynamic parameters of interactions of Procarbazine with Si<sub>50</sub>, C<sub>50</sub>, B<sub>25</sub>P<sub>25</sub>, Fe-Si<sub>50</sub>, Fe-C<sub>50</sub>, Fe-B<sub>25</sub>P<sub>25</sub> nanocages are examined. The ΔG<sub>adsorption</sub> of Procarbazine on silicon and carbon nanocages are calculated by computational models to propose the nanocages with high capacity to adsorb the Procarbazine. Results have shown that the Si<sub>50</sub>, C<sub>50</sub>, B<sub>25</sub>P<sub>25</sub>, Fe-Si<sub>50</sub>, Fe-C<sub>50</sub>, Fe-B<sub>25</sub>P<sub>25</sub> nanocages are stable nanostructures from thermodynamic viewpoint. The ΔG<sub>adsorption</sub> values of Si<sub>50</sub>-Procarbazine, C<sub>50</sub>-Procarbazine, B<sub>25</sub>P<sub>25</sub>-Procarbazine, Fe-Si<sub>50</sub>-Procarbazine, Fe-C<sub>50</sub>-Procarbazine and Fe-B<sub>25</sub>P<sub>25</sub>-Procarbazine are -3.04, -3.15, -3.29, -3.77, -3.90 and -4.00 eV. The Fe-B<sub>25</sub>P<sub>25</sub> has suitable capacity to deliver the Procarbazine. The metals can improve the recovery times of Procarbazine on silicon and carbon nanocages. The ΔG<sub>adsorption</sub> value of Fe-B<sub>25</sub>P<sub>25</sub>-Procarbazine is higher than Fe-C<sub>50</sub> for delivering the Procarbazine. The Fe-B<sub>25</sub>P<sub>25</sub> is suggested as acceptable material to deliver the Procarbazine.</p></div>\",\"PeriodicalId\":776,\"journal\":{\"name\":\"Silicon\",\"volume\":\"17 1\",\"pages\":\"121 - 129\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-11-04\",\"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/s12633-024-03190-7\",\"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/s12633-024-03190-7","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}
Examination of Capacities of Si50, C50, B25P25, Fe-Si50, Fe-C50 and Fe-B25P25 Nanocages for Procarbazine Delivery as Anticancer Drug
The abilities of Si50, C50, B25P25, Fe-Si50, Fe-C50, Fe-B25P25 to deliver the Procarbazine are investigated. The thermodynamic parameters of interactions of Procarbazine with Si50, C50, B25P25, Fe-Si50, Fe-C50, Fe-B25P25 nanocages are examined. The ΔGadsorption of Procarbazine on silicon and carbon nanocages are calculated by computational models to propose the nanocages with high capacity to adsorb the Procarbazine. Results have shown that the Si50, C50, B25P25, Fe-Si50, Fe-C50, Fe-B25P25 nanocages are stable nanostructures from thermodynamic viewpoint. The ΔGadsorption values of Si50-Procarbazine, C50-Procarbazine, B25P25-Procarbazine, Fe-Si50-Procarbazine, Fe-C50-Procarbazine and Fe-B25P25-Procarbazine are -3.04, -3.15, -3.29, -3.77, -3.90 and -4.00 eV. The Fe-B25P25 has suitable capacity to deliver the Procarbazine. The metals can improve the recovery times of Procarbazine on silicon and carbon nanocages. The ΔGadsorption value of Fe-B25P25-Procarbazine is higher than Fe-C50 for delivering the Procarbazine. The Fe-B25P25 is suggested as acceptable material to deliver the Procarbazine.
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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