TY - JOUR
T1 - Antibody Subclass Detection Using Graphene Nanopores
AU - Barati Farimani, Amir
AU - Heiranian, Mohammad
AU - Min, Kyoungmin
AU - Aluru, Narayana R.
N1 - Funding Information:
We thank Professor Emad Tajkhorshid for useful discussions on the protein structures. This work is supported by AFOSR under Grant No. FA9550-12-1-0464 and NSF under Grants 1264282, 1420882, 1506619, and 1545907. We acknowledge the use of the parallel computing resource Blue Waters provided by the University of Illinois and the National Center for Supercomputing Applications.
Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/4/6
Y1 - 2017/4/6
N2 - Solid-state nanopores are promising for label-free protein detection. The large thickness, ranging from several tens of nanometers to micrometers and larger, of solid-state nanopores prohibits atomic-scale scanning or interrogation of proteins. Here, a single-atom thick graphene nanopore is shown to be highly capable of sensing and discriminating between different subclasses of IgG antibodies despite their minor and subtle variation in atomic structure. Extensive molecular dynamics (MD) simulations, rigorous statistical analysis with a total aggregate simulation time of 2.7 μs, supervised machine learning (ML), and classification techniques are employed to distinguish IgG2 from IgG3. The water flux and ionic current during IgG translocation reveal distinct clusters for IgG subclasses facilitating an additional recognition mechanism. In addition, the histogram of ionic current for each segment of IgG can provide high-resolution spatial detection. Our results show that nanoporous graphene can be used to detect and distinguish antibody subclasses with good accuracy.
AB - Solid-state nanopores are promising for label-free protein detection. The large thickness, ranging from several tens of nanometers to micrometers and larger, of solid-state nanopores prohibits atomic-scale scanning or interrogation of proteins. Here, a single-atom thick graphene nanopore is shown to be highly capable of sensing and discriminating between different subclasses of IgG antibodies despite their minor and subtle variation in atomic structure. Extensive molecular dynamics (MD) simulations, rigorous statistical analysis with a total aggregate simulation time of 2.7 μs, supervised machine learning (ML), and classification techniques are employed to distinguish IgG2 from IgG3. The water flux and ionic current during IgG translocation reveal distinct clusters for IgG subclasses facilitating an additional recognition mechanism. In addition, the histogram of ionic current for each segment of IgG can provide high-resolution spatial detection. Our results show that nanoporous graphene can be used to detect and distinguish antibody subclasses with good accuracy.
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U2 - 10.1021/acs.jpclett.7b00385
DO - 10.1021/acs.jpclett.7b00385
M3 - Article
C2 - 28325049
AN - SCOPUS:85016962617
SN - 1948-7185
VL - 8
SP - 1670
EP - 1676
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 7
ER -