Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in C. elegans.

IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Beilstein Journal of Nanotechnology Pub Date : 2024-10-30 eCollection Date: 2024-01-01 DOI:10.3762/bjnano.15.105
Romana Petry, James M de Almeida, Francine Côa, Felipe Crasto de Lima, Diego Stéfani T Martinez, Adalberto Fazzio
{"title":"Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in <i>C. elegans</i>.","authors":"Romana Petry, James M de Almeida, Francine Côa, Felipe Crasto de Lima, Diego Stéfani T Martinez, Adalberto Fazzio","doi":"10.3762/bjnano.15.105","DOIUrl":null,"url":null,"abstract":"<p><p>Graphene oxide (GO) undergoes multiple transformations when introduced to biological and environmental media. GO surface favors the adsorption of biomolecules through different types of interaction mechanisms, modulating the biological effects of the material. In this study, we investigated the interaction of GO with tannic acid (TA) and its consequences for GO toxicity. We focused on understanding how TA interacts with GO, its impact on the material surface chemistry, colloidal stability, as well as, toxicity and biodistribution using the <i>Caenorhabditis elegans</i> model. Employing computational modeling, including reactive classical molecular dynamics and ab initio calculations, we reveal that TA preferentially binds to the most reactive sites on GO surfaces via the oxygen-containing groups or the carbon matrix; van der Waals interaction forces dominate the binding energy. TA exhibits a dose-dependent mitigating effect on the toxicity of GO, which can be attributed not only to the surface interactions between the molecule and the material but also to the inherent biological properties of TA in <i>C. elegans</i>. Our findings contribute to a deeper understanding of GO's environmental behavior and toxicity and highlight the potential of tannic acid for the synthesis and surface functionalization of graphene-based nanomaterials, offering insights into safer nanotechnology development.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":"15 ","pages":"1297-1311"},"PeriodicalIF":2.6000,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11533115/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Beilstein Journal of Nanotechnology","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.3762/bjnano.15.105","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/1/1 0:00:00","PubModel":"eCollection","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

Graphene oxide (GO) undergoes multiple transformations when introduced to biological and environmental media. GO surface favors the adsorption of biomolecules through different types of interaction mechanisms, modulating the biological effects of the material. In this study, we investigated the interaction of GO with tannic acid (TA) and its consequences for GO toxicity. We focused on understanding how TA interacts with GO, its impact on the material surface chemistry, colloidal stability, as well as, toxicity and biodistribution using the Caenorhabditis elegans model. Employing computational modeling, including reactive classical molecular dynamics and ab initio calculations, we reveal that TA preferentially binds to the most reactive sites on GO surfaces via the oxygen-containing groups or the carbon matrix; van der Waals interaction forces dominate the binding energy. TA exhibits a dose-dependent mitigating effect on the toxicity of GO, which can be attributed not only to the surface interactions between the molecule and the material but also to the inherent biological properties of TA in C. elegans. Our findings contribute to a deeper understanding of GO's environmental behavior and toxicity and highlight the potential of tannic acid for the synthesis and surface functionalization of graphene-based nanomaterials, offering insights into safer nanotechnology development.

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
氧化石墨烯与单宁酸的相互作用:计算建模和减轻对优雅小鼠的毒性。
氧化石墨烯(GO)进入生物和环境介质后会发生多重变化。通过不同类型的相互作用机制,GO 表面有利于吸附生物分子,从而调节材料的生物效应。在本研究中,我们研究了 GO 与单宁酸(TA)的相互作用及其对 GO 毒性的影响。我们利用秀丽隐杆线虫模型,重点了解单宁酸如何与 GO 相互作用,其对材料表面化学、胶体稳定性以及毒性和生物分布的影响。通过计算建模(包括反应经典分子动力学和 ab initio 计算),我们发现 TA 会通过含氧基团或碳基质优先结合到 GO 表面活性最强的位点;范德华相互作用力主导了结合能。TA对GO的毒性具有剂量依赖性的缓解作用,这不仅归因于分子与材料之间的表面相互作用,也归因于TA在秀丽隐杆线虫体内固有的生物特性。我们的发现有助于加深对 GO 的环境行为和毒性的理解,并突出了单宁酸在石墨烯基纳米材料的合成和表面功能化方面的潜力,为更安全的纳米技术发展提供了启示。
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 去求助
来源期刊
Beilstein Journal of Nanotechnology
Beilstein Journal of Nanotechnology NANOSCIENCE & NANOTECHNOLOGY-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
5.70
自引率
3.20%
发文量
109
审稿时长
2 months
期刊介绍: The Beilstein Journal of Nanotechnology is an international, peer-reviewed, Open Access journal. It provides a unique platform for rapid publication without any charges (free for author and reader) – Platinum Open Access. The content is freely accessible 365 days a year to any user worldwide. Articles are available online immediately upon publication and are publicly archived in all major repositories. In addition, it provides a platform for publishing thematic issues (theme-based collections of articles) on topical issues in nanoscience and nanotechnology. The journal is published and completely funded by the Beilstein-Institut, a non-profit foundation located in Frankfurt am Main, Germany. The editor-in-chief is Professor Thomas Schimmel – Karlsruhe Institute of Technology. He is supported by more than 20 associate editors who are responsible for a particular subject area within the scope of the journal.
期刊最新文献
Lithium niobate on insulator: an emerging nanophotonic crystal for optimized light control. Nanotechnological approaches for efficient N2B delivery: from small-molecule drugs to biopharmaceuticals. Various CVD-grown ZnO nanostructures for nanodevices and interdisciplinary applications. A biomimetic approach towards a universal slippery liquid infused surface coating. Green synthesis of carbon dot structures from Rheum Ribes and Schottky diode fabrication.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1