Graphdiyne as a promising material for detecting amino acids
The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersio...
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| Published in | Scientific reports Vol. 5; no. 1; p. 16720 |
|---|---|
| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
| Published |
London
Nature Publishing Group UK
16.11.2015
Nature Publishing Group |
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| Online Access | Get full text |
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| Abstract | The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by
ab initio
calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room temperature the amino acid molecules keep migrating and rotating on graphdiyne surface and induce fluctuation in graphdiyne bandgap. Additionally, the photon absorption spectra of graphdiyne-amino-acid systems are investigated. We uncover that the presence of amino acid molecules makes the photon absorption peaks of graphdiyne significantly depressed and shifted. Finally, quantum electronic transport properties of graphdiyne-amino-acid systems are compared with the transport properties of pure graphdiyne. We reveal that the amino acid molecules induce distinct changes in the electronic conductivity of graphdiyne. The results in this paper reveal that graphdiyne is a promising two-dimensional material for sensitively detecting amino acids and may potentially be used in biosensors. |
|---|---|
| AbstractList | The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by
ab initio
calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room temperature the amino acid molecules keep migrating and rotating on graphdiyne surface and induce fluctuation in graphdiyne bandgap. Additionally, the photon absorption spectra of graphdiyne-amino-acid systems are investigated. We uncover that the presence of amino acid molecules makes the photon absorption peaks of graphdiyne significantly depressed and shifted. Finally, quantum electronic transport properties of graphdiyne-amino-acid systems are compared with the transport properties of pure graphdiyne. We reveal that the amino acid molecules induce distinct changes in the electronic conductivity of graphdiyne. The results in this paper reveal that graphdiyne is a promising two-dimensional material for sensitively detecting amino acids and may potentially be used in biosensors. The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room temperature the amino acid molecules keep migrating and rotating on graphdiyne surface and induce fluctuation in graphdiyne bandgap. Additionally, the photon absorption spectra of graphdiyne-amino-acid systems are investigated. We uncover that the presence of amino acid molecules makes the photon absorption peaks of graphdiyne significantly depressed and shifted. Finally, quantum electronic transport properties of graphdiyne-amino-acid systems are compared with the transport properties of pure graphdiyne. We reveal that the amino acid molecules induce distinct changes in the electronic conductivity of graphdiyne. The results in this paper reveal that graphdiyne is a promising two-dimensional material for sensitively detecting amino acids and may potentially be used in biosensors. The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room temperature the amino acid molecules keep migrating and rotating on graphdiyne surface and induce fluctuation in graphdiyne bandgap. Additionally, the photon absorption spectra of graphdiyne-amino-acid systems are investigated. We uncover that the presence of amino acid molecules makes the photon absorption peaks of graphdiyne significantly depressed and shifted. Finally, quantum electronic transport properties of graphdiyne-amino-acid systems are compared with the transport properties of pure graphdiyne. We reveal that the amino acid molecules induce distinct changes in the electronic conductivity of graphdiyne. The results in this paper reveal that graphdiyne is a promising two-dimensional material for sensitively detecting amino acids and may potentially be used in biosensors.The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room temperature the amino acid molecules keep migrating and rotating on graphdiyne surface and induce fluctuation in graphdiyne bandgap. Additionally, the photon absorption spectra of graphdiyne-amino-acid systems are investigated. We uncover that the presence of amino acid molecules makes the photon absorption peaks of graphdiyne significantly depressed and shifted. Finally, quantum electronic transport properties of graphdiyne-amino-acid systems are compared with the transport properties of pure graphdiyne. We reveal that the amino acid molecules induce distinct changes in the electronic conductivity of graphdiyne. The results in this paper reveal that graphdiyne is a promising two-dimensional material for sensitively detecting amino acids and may potentially be used in biosensors. |
| ArticleNumber | 16720 |
| Author | Chen, Xi Guo, Lei Zhang, Shengli Gao, Pengfei |
| Author_xml | – sequence: 1 givenname: Xi surname: Chen fullname: Chen, Xi organization: Department of Applied Physics, School of Science, Xi’an Jiaotong University – sequence: 2 givenname: Pengfei surname: Gao fullname: Gao, Pengfei organization: Department of Applied Physics, School of Science, Xi’an Jiaotong University – sequence: 3 givenname: Lei surname: Guo fullname: Guo, Lei organization: Department of Applied Physics, School of Science, Xi’an Jiaotong University – sequence: 4 givenname: Shengli surname: Zhang fullname: Zhang, Shengli organization: Department of Applied Physics, School of Science, Xi’an Jiaotong University |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/26568200$$D View this record in MEDLINE/PubMed |
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| Copyright | The Author(s) 2015 Copyright Nature Publishing Group Nov 2015 Copyright © 2015, Macmillan Publishers Limited 2015 Macmillan Publishers Limited |
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| Snippet | The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by
ab initio
calculations. The... The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/graphene is investigated by ab initio calculations. The... The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/ graphene is investigated by ab initio calculations. The... |
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| SubjectTerms | 639/925/350/1057 639/925/927/59 Absorption Adsorption Amino acid sequence Amino acids Amino Acids - analysis Biosensing Techniques Biosensors Chemistry Techniques, Analytical - methods Electric Conductivity Electrochemical Techniques Energy Glutamic acid Glycine Graphite - chemistry Histidine Humanities and Social Sciences Molecular Dynamics Simulation multidisciplinary Phenylalanine Photons Quantum Theory Science Surface Properties Temperature effects |
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| Title | Graphdiyne as a promising material for detecting amino acids |
| URI | https://link.springer.com/article/10.1038/srep16720 https://www.ncbi.nlm.nih.gov/pubmed/26568200 https://www.proquest.com/docview/1899820791 https://www.proquest.com/docview/1735334932 https://pubmed.ncbi.nlm.nih.gov/PMC4644954 |
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