Comparison of cavitand and B4C5N3 nanosheets for MMF delivery and detection

IF 2.2 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Structural Chemistry Pub Date : 2025-03-08 DOI:10.1007/s11224-025-02474-x

Ali Ghalibafi, Parvaneh Pakravan

{"title":"Comparison of cavitand and B4C5N3 nanosheets for MMF delivery and detection","authors":"Ali Ghalibafi, Parvaneh Pakravan","doi":"10.1007/s11224-025-02474-x","DOIUrl":null,"url":null,"abstract":"<div>Monomethyl fumarate (MMF) is a harmful substance which could be toxic for healthy cells. Hence, it is a useful drug for treatment of multiple sclerosis (MS). Considering these, its safe transportation to the targeted tissues (applying a suitable carrier) is needed. Thus, in this work, the possibility of using cavitand container-shaped capsule as well as a number of nanosheets (derived from B4C5N3 structure) for delivery and adsorption of MMF have been studied. The results have indicated that (except cavitand) the biggest values for Eads and for recovery time (τ) belong to MMF + AlB4C5N3 (− 18.04 eV, 17.68 s) and MMF + GaB4C5N3 (− 17.59 eV, 8.22 s), respectively. Therefore, in opposition to the other considered derivatives, both of those two nanosheets (AlB4C5N3 and GaB4C5N3) could be used as sorbents and also as carriers for delivery of the MMF drug. In addition, the results showed that the cavitand structure could be applied as a good capsule for trapping MMF, while it would not be able to sense the existence of this drug.</div>","PeriodicalId":780,"journal":{"name":"Structural Chemistry","volume":"36 4","pages":"1501 - 1512"},"PeriodicalIF":2.2000,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11224-025-02474-x","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Monomethyl fumarate (MMF) is a harmful substance which could be toxic for healthy cells. Hence, it is a useful drug for treatment of multiple sclerosis (MS). Considering these, its safe transportation to the targeted tissues (applying a suitable carrier) is needed. Thus, in this work, the possibility of using cavitand container-shaped capsule as well as a number of nanosheets (derived from B₄C₅N₃ structure) for delivery and adsorption of MMF have been studied. The results have indicated that (except cavitand) the biggest values for E_ads and for recovery time (τ) belong to MMF + AlB₄C₅N₃ (− 18.04 eV, 17.68 s) and MMF + GaB₄C₅N₃ (− 17.59 eV, 8.22 s), respectively. Therefore, in opposition to the other considered derivatives, both of those two nanosheets (AlB₄C₅N₃ and GaB₄C₅N₃) could be used as sorbents and also as carriers for delivery of the MMF drug. In addition, the results showed that the cavitand structure could be applied as a good capsule for trapping MMF, while it would not be able to sense the existence of this drug.

查看原文本刊更多论文

空腔和B4C5N3纳米片用于MMF传递和检测的比较

富马酸一甲基（MMF）是一种对健康细胞具有毒性的有害物质。因此，它是治疗多发性硬化症（MS）的有效药物。考虑到这些，需要将其安全运输到目标组织（应用合适的载体）。因此，在这项工作中，研究了使用空腔和容器形胶囊以及一些纳米片（源自B4C5N3结构）来递送和吸附MMF的可能性。结果表明，除空腔外，MMF + AlB4C5N3 （- 18.04 eV, 17.68 s）和MMF + GaB4C5N3 （- 17.59 eV, 8.22 s）的Eads和恢复时间τ值最大。因此，与其他考虑的衍生物相反，这两种纳米片（AlB4C5N3和GaB4C5N3）都可以用作吸附剂，也可以用作MMF药物的载体。此外，结果表明，空腔和结构可以作为一种很好的捕获MMF的胶囊，但它不能感知该药物的存在。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Structural Chemistry 化学-化学综合

CiteScore

3.80

自引率

11.80%

发文量

227

审稿时长

3.7 months

期刊介绍： Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry. We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.