Ab initio electron propagator calculations of transverse conduction through DNA nucleotide bases in 1-nm nanopore corroborate third generation sequencing

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• 作者：Aleksey A. Kletsov^a ; ^b ; ^{kletsov@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Evgeny G. Glukhovskoy^a ; ^b ; Aleksey S. Chumakov^a ; ^b ; Joseph V. Ortiz^c
• 关键词：Nucleobase conductance ; DNA transverse conduction ; Electron propagator theory ; Third generation sequencing ; Nucleotide identification ; Onset voltage
• 刊名：Biochimica et Biophysica Acta (BBA) - General Subjects
• 出版年：2016
• 出版时间：January 2016
• 年：2016
• 卷：1860
• 期：1
• 页码：140-145
• 全文大小：782 K

文摘

The conduction properties of DNA molecule, particularly its transverse conductance (electron transfer through nucleotide bridges), represent a point of interest for DNA chemistry community, especially for DNA sequencing. However, there is no fully developed first-principles theory for molecular conductance and current that allows one to analyze the transverse flow of electrical charge through a nucleotide base.

absSec_2">Methods

We theoretically investigate the transverse electron transport through all four DNA nucleotide bases by implementing an unbiased ab initio theoretical approach, namely, the electron propagator theory.

absSec_3">Results

The electrical conductance and current through DNA nucleobases (guanine [G], cytosine [C], adenine [A] and thymine [T]) inserted into a model 1-nm Ag–Ag nanogap are calculated. The magnitudes of the calculated conductance and current are ordered in the following hierarchies: g_A > g_G > g_C > g_T and I_G > I_A > I_T > I_C correspondingly. The new distinguishing parameter for the nucleobase identification is proposed, namely, the onset bias magnitude. Nucleobases exhibit the following hierarchy with respect to this parameter: V_onset(A) < V_onset(T) < V_onset(G) < V_onset(C).

absSec_4">Conclusions

The difference in current magnitudes and onset voltages implies the possibility of nucleobases electrical identification by virtue of DNA translocation through an electrode-equipped nanopore.

absSec_5">General significance

The results represent interest for the theorists and practitioners in the field of third generation sequencing techniques as well as in the field of DNA chemistry.