Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene

机译：对DNA / RNA核碱基芳族特性的影响由于其吸附在石墨烯上

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Abstract >In the last years, experimental/theoretical studies have shown that graphene has a strong affinity toward nucleobases, serving as a promising nanomaterial for self‐assembly, sensing, and/or sequencing of DNA/RNA constituents. Then, a complete picture of the properties of the nucleobase–graphene systems is required for its use in technological applications. This work describes a detailed quantum chemical analysis of the aromaticity of adsorbed nucleobases on graphene, comparing between aromaticity indexes based on magnetic, geometry, electron density, and electron delocalization properties of graphene–nucleobase systems. Contrary to the stated by magnetic‐based aromaticity criteria (such as nucleus‐independent chemical shifts), it is proved that the aromatic character of nucleobases is not increased/decreased upon binding on graphene. Therefore, magnetic aromaticity criteria are not recommended to analyze aromaticity in related systems, unless a fragmented scheme be adopted. Finally, these results are expected to expand the knowledge about the understanding of biomolecules‐graphene interactions. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“main”> <标题类型=“main”>抽象</ title> >在过去几年中，实验/理论研究表明，石墨烯对核碱基具有很强的亲和力，用作有希望的纳米材料DNA / RNA成分的自组装，感测和/或测序。然后，需要在技术应用中使用核方酶 - 石墨烯系统的性质的完整图像。该作品描述了石墨烯上吸附核碱基芳香性的详细量子化学分析，比较石墨烯 - 核碱基系统的芳香性指数与石墨烯 - 核碱基系统的电子临床特性。与磁性芳香性标准（例如核无关的化学位移）相反，证明核碱基的芳族特征在石墨烯结合时不会增加/降低。因此，除非采用碎片方案，否则不建议磁性芳香性标准分析相关系统中的芳香性。最后，预计这些结果将扩大关于生物分子 - 石墨烯相互作用的理解的知识。</ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第19期</span><b style="margin: 0 2px;">|</b><span>共7页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Cortés‐Arriagada Diego&option=202" target="_blank" rel="nofollow">Cortés‐Arriagada Diego;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ortega Daniela E.&option=202" target="_blank" rel="nofollow">Ortega Daniela E.;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Programa Institucional de Fomento a la Investigación Desarrollo e Innovación. Universidad Tecnológica Metropolitana Ignacio Valdivieso 2409San Joaquín Santiago P.O. Box 8940577 Chile;</p> <p>Programa Institucional de Fomento a la Investigación Desarrollo e Innovación. Universidad Tecnológica Metropolitana Ignacio Valdivieso 2409San Joaquín Santiago P.O. Box 8940577 Chile;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=adsorption&option=203" rel="nofollow">adsorption;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=aromaticity&option=203" rel="nofollow">aromaticity;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=biomolecules&option=203" rel="nofollow">biomolecules;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=DFT calculations&option=203" rel="nofollow">DFT calculations;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=graphene&option=203" rel="nofollow">graphene;</a> </p> <div class="translation"> 机译：吸附;芳香性;生物分子;DFT计算;石墨烯; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704019755700.html">Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene</a> <b>[J]</b> . <span> <a 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