文献类型：期刊文献

英文题名：Preferential Adsorption of Single-Stranded DNA on Graphene Oxide with Hydroxyl and Epoxy Groups

作者：Ma, Huishu[1];Huang, Xiaodan[1];Wang, Shijun[1];Wu, Mei[1];Wang, Hanbing[1];Shao, Guowei[2];Zhao, Liang[3];Lei, Xiaoling[4]

机构：[1]Changzhou Vocat Inst Mechatron Technol, Sch Elect Engn, Changzhou 213164, Peoples R China;[2]Changzhou Vocat Inst Text & Garment, Sch Intelligent Mfg, Changzhou 213164, Peoples R China;[3]Yangzhou Univ, Sch Phys Sci & Technol, Yangzhou 225009, Peoples R China;[4]East China Univ Sci & Technol, Sch Phys, Shanghai 200237, Peoples R China

年份：2025

卷号：15

期号：9

外文期刊名：CRYSTALS

收录：;EI(收录号：20254119285667);WOS:【SCI-EXPANDED(收录号:WOS:001579603400001)】；

基金：This work is funded by the Jiangsu Province High-level Innovative and Entrepreneurial Talent Introduction Program (Double Innovation Program, No. JSSCBS20221163), Changzhou Basic Research Program (Applied Basic Research)-Young Doctor Project (No. CJ20235006), Changzhou Basic Research Program (Applied Basic Research)-Young Doctor Project (No. CJ20235003), and the Major scientific research project of Changzhou Vocational Institute of Mechatronic Technology (No. 2023-ZDKYXM-04).

语种：英文

外文关键词：single-stranded DNA; graphene oxide; molecular dynamics simulation; preferential adsorption; hydroxyl groups; epoxy groups; hydrogen bonding

摘要：The interaction between DNA and two-dimensional materials, such as graphene oxide (GO), has aroused significant research interest due to its potential applications, including biosensors, drug delivery, and gene therapy. However, the difference in interaction between DNA and oxygen functional groups on GO remains unclear, and direct observation at the experimental level is still challenging. In this work, we investigated the adsorption process of a single-stranded DNA (ssDNA) onto GO exhibiting a series of oxidation degrees by molecular dynamics simulations. We found that the ssDNA preferentially binds to hydroxyl groups (-OH) over epoxy groups (-O-) on the GO surface. This preferential adsorption feature may be attributed to the stronger tendency of ssDNA to form hydrogen bonds (HBs) with hydroxyl groups compared to epoxy groups in aqueous solutions. Further analysis indicates that the affinity interaction between ssDNA and hydroxyl groups presumably increases the oxidation degree of GO, thus suggesting a better binding between ssDNA and GO. This work is not only expected to provide the underlying mechanism of ssDNA onto graphene-based interfaces but also offers a deeper understanding of the structures of DNA-two-dimensional complexes, which may potentially contribute to designing new molecular structures for bio-sensing-related nano-devices and nanostructures.