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dc.contributor.author
Yoosefian, Mehdi
dc.contributor.author
Etminan, Nazanin
dc.contributor.author
Juan, Alfredo
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dc.contributor.author
Mirhaji, Elnaz
dc.date.available
2021-10-25T18:24:13Z
dc.date.issued
2020-01-14
dc.identifier.citation
Yoosefian, Mehdi; Etminan, Nazanin; Juan, Alfredo; Mirhaji, Elnaz; Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor; Royal Society of Chemistry; RSC Advances; 10; 5; 14-1-2020; 2650-2660
dc.identifier.issn
2046-2069
dc.identifier.uri
http://hdl.handle.net/11336/144984
dc.description.abstract
Pd doped single-walled carbon nanotubes as an enhanced physical transducer with phenylalanine amino acid can be efficiently used as a biocompatible nanoreceptor to detect proteins. DFT/B3LYP was used to calculate the optimized geometries, energies and electron density parameters to determine the stability and reactivity of the nanoreceptor. Among different adsorbed configurations of phenylalanine, the amine and carboxylic acid sites have higher adsorption energies and more stable complexes. With direct strong chemical adsorption of phenylalanine amino acid onto the Pd doped single-walled carbon nanotube, the free active carboxylic acid group of the amino acid can react with free amine groups on the surface of the proteins. More over the π-π stacking interaction between the free aromatic ring of adsorbed phenylalanine amino acid onto the functionalized single-walled carbon nanotube and the aromatic rings of the proteins also contributes to the intelligent detection of proteins. Frontier molecular orbital and molecular electrostatic potential (MPE) surface studies have been employed to investigate the active sites of the nanoreceptor. The effects of different solvents on the structural and electronic properties were investigated. Finally, in order to investigate biological function of the biosensor, docking studies were performed.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.subject
SWCNT
dc.subject
NANOTUBE
dc.subject
PHENYLALANINE
dc.subject
DFT
dc.subject.classification
Nano-materiales
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dc.subject.classification
Nanotecnología
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dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
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dc.title
Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-09-15T15:15:24Z
dc.journal.volume
10
dc.journal.number
5
dc.journal.pagination
2650-2660
dc.journal.pais
Reino Unido
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dc.journal.ciudad
Londres
dc.description.fil
Fil: Yoosefian, Mehdi. Graduate University Of Advanced Technology; Irán
dc.description.fil
Fil: Etminan, Nazanin. University of Payam-noor; Irán
dc.description.fil
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.description.fil
Fil: Mirhaji, Elnaz. Graduate University Of Advanced Technology; Irán
dc.journal.title
RSC Advances
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/c9ra09243a
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2020/ra/c9ra09243a
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