Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor

Autores
Yoosefian, Mehdi; Etminan, Nazanin; Juan, Alfredo; Mirhaji, Elnaz
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fil: Yoosefian, Mehdi. Graduate University Of Advanced Technology; Irán
Fil: Etminan, Nazanin. University of Payam-noor; Irán
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
Fil: Mirhaji, Elnaz. Graduate University Of Advanced Technology; Irán
Materia
SWCNT
NANOTUBE
PHENYLALANINE
DFT
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/144984
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptorYoosefian, MehdiEtminan, NazaninJuan, AlfredoMirhaji, ElnazSWCNTNANOTUBEPHENYLALANINEDFThttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2Pd 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.Fil: Yoosefian, Mehdi. Graduate University Of Advanced Technology; IránFil: Etminan, Nazanin. University of Payam-noor; IránFil: 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; ArgentinaFil: Mirhaji, Elnaz. Graduate University Of Advanced Technology; IránRoyal Society of Chemistry2020-01-14info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/144984Yoosefian, 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; 2650-26602046-2069CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/c9ra09243ainfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2020/ra/c9ra09243ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:11:27Zoai:ri.conicet.gov.ar:11336/144984instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-10 13:11:27.702CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
title Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
spellingShingle Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
Yoosefian, Mehdi
SWCNT
NANOTUBE
PHENYLALANINE
DFT
title_short Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
title_full Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
title_fullStr Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
title_full_unstemmed Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
title_sort Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor
dc.creator.none.fl_str_mv Yoosefian, Mehdi
Etminan, Nazanin
Juan, Alfredo
Mirhaji, Elnaz
author Yoosefian, Mehdi
author_facet Yoosefian, Mehdi
Etminan, Nazanin
Juan, Alfredo
Mirhaji, Elnaz
author_role author
author2 Etminan, Nazanin
Juan, Alfredo
Mirhaji, Elnaz
author2_role author
author
author
dc.subject.none.fl_str_mv SWCNT
NANOTUBE
PHENYLALANINE
DFT
topic SWCNT
NANOTUBE
PHENYLALANINE
DFT
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv 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.
Fil: Yoosefian, Mehdi. Graduate University Of Advanced Technology; Irán
Fil: Etminan, Nazanin. University of Payam-noor; Irán
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
Fil: Mirhaji, Elnaz. Graduate University Of Advanced Technology; Irán
description 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.
publishDate 2020
dc.date.none.fl_str_mv 2020-01-14
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/144984
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
2046-2069
CONICET Digital
CONICET
url http://hdl.handle.net/11336/144984
identifier_str_mv 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
2046-2069
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/c9ra09243a
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2020/ra/c9ra09243a
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.993085

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