物理化学学报
物理化學學報
물이화학학보
ACTA PHYSICO-CHIMICA SINICA
2013年
2期
250-254
,共5页
邹辉%倪祥%彭盛霖%欧阳俊%陈羽%欧阳方平*
鄒輝%倪祥%彭盛霖%歐暘俊%陳羽%歐暘方平*
추휘%예상%팽성림%구양준%진우%구양방평*
第一性原理%石墨烯%甲基化胞嘧啶%羟甲基化胞嘧啶%横向电导
第一性原理%石墨烯%甲基化胞嘧啶%羥甲基化胞嘧啶%橫嚮電導
제일성원리%석묵희%갑기화포밀정%간갑기화포밀정%횡향전도
First-principles%Graphene%Methylcytosine%Hydroxymethylcytosine%Transverse conductance
基于第一性原理模拟,我们构建了一种具有石墨烯电极的纳米间隙生物分子传感器件的理论模型.研究发现,当碱基分子胞嘧啶、甲基化胞嘧啶和羟甲基化胞嘧啶分别通过器件时,器件横向电流的大小差异约有1个数量级,器件对此类分子具有一定的分辨能力.分子之间的区分度大小受单链脱氧核糖核酸(DNA)中相邻碱基分子间的相互作用及碱基分子构型的影响.研究工作表明,此类石墨烯基分子传感器可准确高效地区分具有不同结构的碱基分子,为准确定位DNA链中的变异碱基分子提出了一种新的思路.
基于第一性原理模擬,我們構建瞭一種具有石墨烯電極的納米間隙生物分子傳感器件的理論模型.研究髮現,噹堿基分子胞嘧啶、甲基化胞嘧啶和羥甲基化胞嘧啶分彆通過器件時,器件橫嚮電流的大小差異約有1箇數量級,器件對此類分子具有一定的分辨能力.分子之間的區分度大小受單鏈脫氧覈糖覈痠(DNA)中相鄰堿基分子間的相互作用及堿基分子構型的影響.研究工作錶明,此類石墨烯基分子傳感器可準確高效地區分具有不同結構的堿基分子,為準確定位DNA鏈中的變異堿基分子提齣瞭一種新的思路.
기우제일성원리모의,아문구건료일충구유석묵희전겁적납미간극생물분자전감기건적이론모형.연구발현,당감기분자포밀정、갑기화포밀정화간갑기화포밀정분별통과기건시,기건횡향전류적대소차이약유1개수량급,기건대차류분자구유일정적분변능력.분자지간적구분도대소수단련탈양핵당핵산(DNA)중상린감기분자간적상호작용급감기분자구형적영향.연구공작표명,차류석묵희기분자전감기가준학고효지구분구유불동결구적감기분자,위준학정위DNA련중적변이감기분자제출료일충신적사로.
First-principles calculations were applied to design and study the electron transport behavior of a biomolecular sensor with graphene-based electrodes. It is shown that the designed biosensor is capable of distinguishing different nucleotide molecules such as cytosine, methylcytosine, and hydroxymethylcytosine. The current was seen to change by nearly one order of magnitude, while molecules passed through the device individual y. The resolution capacity of the present device was primarily determined by the interactions and specific configurations of two adjacent single-stranded desoxyribonucleic acid (DNA) molecules and their specific configurations. This graphene-based biosensor was proved to be effective and efficient in detecting and distinguishing different DNA molecules, which provides a new potential method to pinpoint exactly varietal base molecules in DNA chains for the genetic information.