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Chiral response of single walled carbon nanotube based sensors to adsorption of amino acids: A theoretical model
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10.1063/1.2798756
/content/aip/journal/jcp/127/19/10.1063/1.2798756
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/19/10.1063/1.2798756

Figures

Image of FIG. 1.
FIG. 1.

Equilibrium geometry of the enantiomer of (a) alanine, (b) aspartic acid, (c) glutamic acid, (d) threonine, and (e) threonine on the (4,11) SWNT from left to right. Black, gray dark, light gray, and small white circles correspond to nitrogen, oxygen, carbon, and hydrogen atoms, respectively. (f) Projection of the axis defining the orientation of the aspartic acid along the helicity curve. The other amino acids obey the same orientation.

Image of FIG. 2.
FIG. 2.

Mean adsorption energy as a function of the tube diameter and chiral angle for (a) alanine, (b) aspartic acid, and (c) glutamic acid. The curves represent the average behavior of vs for around 13.9°, 16.1°, and 19.1°.

Image of FIG. 3.
FIG. 3.

Mean adsorption energy as a function of the tube diameter and chiral angle for the diastereoisomer (a) and (b) of threonine. The curves represent average behavior of vs for around 13.9°, 16.1°, and 19.1°.

Image of FIG. 4.
FIG. 4.

Relative shift of the resonance frequency as a function of the tube diameter and chiral angle for (a) alanine, (b) aspartic acid, and (c) glutamic acid.

Image of FIG. 5.
FIG. 5.

Relative shift of the resonance frequency as a function of the tube diameter and chiral angle for (a) and (b) threonine.

Image of FIG. 6.
FIG. 6.

Relative shift of the resonance frequency as a function of the tube diameter and chiral angle for (a) alanine, (b) aspartic acid, and (c) glutamic acid. Black circles correspond to the best SWNT sensors (see Table IV).

Image of FIG. 7.
FIG. 7.

Relative shift of the resonance frequency as a function of the tube diameter and chiral angle for (a) and (b) threonine. Black circles correspond to the best SWNT sensors (see Table IV).

Image of FIG. 8.
FIG. 8.

Scheme of the geometry of adsorbed enantiomers. (a) For a couple of enantiomers with two possible configurations. (b) For a set of four enantiomers with a single configuration. Note that the adsorption sites are not located in the same plane perpendicular to the tube axis.

Image of FIG. 9.
FIG. 9.

Schematic representation of an infinitely long hollow nanotube in the continuum approximation. The point molecule is at a distance from the tube surface.

Tables

Generic image for table
Table I.

Dipole moment components for the various groups in the amino acids expressed in the molecular frame.

Generic image for table
Table II.

Polarizability tensor components for the various groups in the amino acids expressed in the molecular frame.

Generic image for table
Table III.

Lennard-Jones coefficients between carbon atom of the tube and any atom of the amino acid, used in the Lennard-Jones potential [Eq. (6)].

Generic image for table
Table IV.

Chiral energies and frequency responses of the best SWNT sensors. See the text for the definition of the various quantities.

Generic image for table
Table V.

Frequency shifts of the (4,11) SWNT resonator due to adsorption of enantiomers.

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/content/aip/journal/jcp/127/19/10.1063/1.2798756
2007-11-15
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Chiral response of single walled carbon nanotube based sensors to adsorption of amino acids: A theoretical model
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/19/10.1063/1.2798756
10.1063/1.2798756
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