{"title":"掺银石墨烯上的腺嘌呤吸附：理论见解","authors":"Baliram Lone","doi":"10.32628/ijsrset2411141","DOIUrl":null,"url":null,"abstract":"The adsorption phenomenon of Adenine on silver (Ag) doped graphene extensively studied by using density functional theory (DFT) method to insight the role of DNA nucleobase adenine as adsorbent. Our theoretical findings suggest that the structural and electronic properties of the complex system of graphene-adenine (Gr-Ade) strong depends on Silver (Ag) atom. The DNA base adenine molecule is adsorbed on pristine graphene, while there is strong chemisorption phenomenon is observed on Ag-doped graphene. We successfully reported the Dipole moment, HOMO-LUMO and density of states (DOS). The complex biomolecular system (Gr-Ag-Ade) studied could be used to assemble DNA based biosensors in different fields as well.","PeriodicalId":14228,"journal":{"name":"International Journal of Scientific Research in Science, Engineering and Technology","volume":"31 3","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Adenine Adsorption on Ag Doped Graphene : A Theoretical Insight\",\"authors\":\"Baliram Lone\",\"doi\":\"10.32628/ijsrset2411141\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The adsorption phenomenon of Adenine on silver (Ag) doped graphene extensively studied by using density functional theory (DFT) method to insight the role of DNA nucleobase adenine as adsorbent. Our theoretical findings suggest that the structural and electronic properties of the complex system of graphene-adenine (Gr-Ade) strong depends on Silver (Ag) atom. The DNA base adenine molecule is adsorbed on pristine graphene, while there is strong chemisorption phenomenon is observed on Ag-doped graphene. We successfully reported the Dipole moment, HOMO-LUMO and density of states (DOS). The complex biomolecular system (Gr-Ag-Ade) studied could be used to assemble DNA based biosensors in different fields as well.\",\"PeriodicalId\":14228,\"journal\":{\"name\":\"International Journal of Scientific Research in Science, Engineering and Technology\",\"volume\":\"31 3\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Scientific Research in Science, Engineering and Technology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.32628/ijsrset2411141\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Scientific Research in Science, Engineering and Technology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.32628/ijsrset2411141","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
利用密度泛函理论（DFT）方法广泛研究了腺嘌呤在掺银（Ag）石墨烯上的吸附现象，以深入了解 DNA 核碱基腺嘌呤作为吸附剂的作用。我们的理论研究结果表明，石墨烯-腺嘌呤（Gr-Ade）复合体系的结构和电子特性取决于银（Ag）原子。DNA 碱基腺嘌呤分子在原始石墨烯上被吸附，而在掺杂了银的石墨烯上则出现了强烈的化学吸附现象。我们成功地报告了偶极矩、HOMO-LUMO 和状态密度（DOS）。所研究的复杂生物分子体系（Gr-Ag-Ade）可用于组装不同领域的 DNA 生物传感器。
Adenine Adsorption on Ag Doped Graphene : A Theoretical Insight
The adsorption phenomenon of Adenine on silver (Ag) doped graphene extensively studied by using density functional theory (DFT) method to insight the role of DNA nucleobase adenine as adsorbent. Our theoretical findings suggest that the structural and electronic properties of the complex system of graphene-adenine (Gr-Ade) strong depends on Silver (Ag) atom. The DNA base adenine molecule is adsorbed on pristine graphene, while there is strong chemisorption phenomenon is observed on Ag-doped graphene. We successfully reported the Dipole moment, HOMO-LUMO and density of states (DOS). The complex biomolecular system (Gr-Ag-Ade) studied could be used to assemble DNA based biosensors in different fields as well.
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