Interação de nanotubos de carbono com hidroxiapatita

Detalhes bibliográficos
Ano de defesa: 2017
Autor(a) principal: Knupp, Wanderson Geraldo lattes
Orientador(a): Camps Rodríguez, Ihosvany lattes
Banca de defesa: Bezerra, Anibal Thiago, Campos, Maria Gabriela Nogueira
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de Alfenas
Programa de Pós-Graduação: Programa de Pós-graduação em Física
Departamento: Instituto de Ciências Exatas
País: Brasil
Palavras-chave em Português:
Área do conhecimento CNPq:
Link de acesso: https://repositorio.unifal-mg.edu.br/handle/123456789/1178
Resumo: One of the characteristics to be achieved by biomaterials is to have similarity to the host material. In cases of bone replacement, in which the bones have high mechanical strength and a nanometric particle order, it is important that the material to be used exhibit these characteristics. Thus, the interaction between these materials is favored reducing the recovery time of the patient as the possible clinical complications. The carbonated hydroxyapatite (HAC) [Ca10-x(PO4)6-x (CO3)x (OH)2-x] has considerable similarities in relation to the human bone order of magnitude and composition, but it shows itself with low mechanical resistance, which in many cases makes it difficult to apply in areas that present high mechanical stress. Carbon nanotubes have low density and strong covalent bonding between their atoms, which gives high mechanical resistance to the material. For this reason, the influence of pristine single wall carbon nanotubes (CNT) and functionalized with hydroxyl organic groups (CNT-OH) and carboxyl (CNT-COOH) were studied using computational simulation with concentrations of functionalization of (5, 10, 15, 20, and 25) % in the hydroxyapatite structure. We performed experimental tests by synthesizing the HAC with ~1 % of pristine CNTs and functionalized with -COOH. The computational studies were done using network dynamics where the equations of motion for the whole system are solved, and the systems optimization was also performed. In the experimental part, the syntheses were made by the aqueous precipitation method of [(NH4 )2+(NH4 )2 CO3 ] +Ca(NO3 )2, adding ~1% CNTs in relation to the HAC mass obtained. The samples were characterized by X-ray diffraction (XRD), Thermogravimetric Analysis (TG / DTA), infrared (IR) spectroscopy and elemental analysis. As expected, the network dynamics showed that pristine CNTs show less interaction with hydroxyapatite because of their high chemical stability. However, the CNTs functionalized with -OH and -COOH interacted better with the hydroxyapatite matrix. The Bulk modulus showed that the functionalizations with 20% of -OH and -COOH provided greater rigidity to the material. The results of DRXs indicate samples with low crystallinity, with T.C of ~25 Å. The results of XRD, TG / DTA and IV showed that the pristine CNTs apparently did not affect the structure of the CAH. However, by XRD it was observed that the CNT-COOH may have interacted with the HAC due to the displacement of the diffraction pattern peak. Infrared spectra suggest the presence of the CO3-2 ions at the hydroxyapatite sites A and B, and the elemental analysis measurements show that ~ 6% carbonate is introduced into the structure of the Samples as intended.
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spelling Knupp, Wanderson Geraldohttp://lattes.cnpq.br/3732563704810366Caraballo, Mirta MirBezerra, Anibal ThiagoCampos, Maria Gabriela NogueiraCamps Rodríguez, Ihosvanyhttp://lattes.cnpq.br/71797203463025732018-08-02T14:14:58Z2017-03-31KNUPP, Wanderson Geraldo. Interação de nanotubos de carbono com hidroxiapatita. 2017. 81 f. Dissertação (Mestrado em Física) - Universidade Federal de Alfenas, Alfenas, MG, 2017.https://repositorio.unifal-mg.edu.br/handle/123456789/1178One of the characteristics to be achieved by biomaterials is to have similarity to the host material. In cases of bone replacement, in which the bones have high mechanical strength and a nanometric particle order, it is important that the material to be used exhibit these characteristics. Thus, the interaction between these materials is favored reducing the recovery time of the patient as the possible clinical complications. The carbonated hydroxyapatite (HAC) [Ca10-x(PO4)6-x (CO3)x (OH)2-x] has considerable similarities in relation to the human bone order of magnitude and composition, but it shows itself with low mechanical resistance, which in many cases makes it difficult to apply in areas that present high mechanical stress. Carbon nanotubes have low density and strong covalent bonding between their atoms, which gives high mechanical resistance to the material. For this reason, the influence of pristine single wall carbon nanotubes (CNT) and functionalized with hydroxyl organic groups (CNT-OH) and carboxyl (CNT-COOH) were studied using computational simulation with concentrations of functionalization of (5, 10, 15, 20, and 25) % in the hydroxyapatite structure. We performed experimental tests by synthesizing the HAC with ~1 % of pristine CNTs and functionalized with -COOH. The computational studies were done using network dynamics where the equations of motion for the whole system are solved, and the systems optimization was also performed. In the experimental part, the syntheses were made by the aqueous precipitation method of [(NH4 )2+(NH4 )2 CO3 ] +Ca(NO3 )2, adding ~1% CNTs in relation to the HAC mass obtained. The samples were characterized by X-ray diffraction (XRD), Thermogravimetric Analysis (TG / DTA), infrared (IR) spectroscopy and elemental analysis. As expected, the network dynamics showed that pristine CNTs show less interaction with hydroxyapatite because of their high chemical stability. However, the CNTs functionalized with -OH and -COOH interacted better with the hydroxyapatite matrix. The Bulk modulus showed that the functionalizations with 20% of -OH and -COOH provided greater rigidity to the material. The results of DRXs indicate samples with low crystallinity, with T.C of ~25 Å. The results of XRD, TG / DTA and IV showed that the pristine CNTs apparently did not affect the structure of the CAH. However, by XRD it was observed that the CNT-COOH may have interacted with the HAC due to the displacement of the diffraction pattern peak. Infrared spectra suggest the presence of the CO3-2 ions at the hydroxyapatite sites A and B, and the elemental analysis measurements show that ~ 6% carbonate is introduced into the structure of the Samples as intended.Umas das características a serem alcançadas pelos biomateriais é possuir semelhança com o material hospedeiro. Em casos de substituição óssea, na qual os ossos apresentam alta resistência mecânica e uma ordem de partícula nanométrica é importante que o material a ser usado apresente estas características. Assim, a interação entre estes materiais é favorecida diminuindo o tempo de recuperação do paciente como as possíveis complicações clínicas. A hidroxiapatita carbonatada (HAC) [Ca10-x(PO4)6-x (CO3)x (OH)2-x] apresenta tanto em composição quanto em ordem de grandeza semelhanças consideráveis em relação ao osso humano, porém a mesma mostra-se com baixa resistência mecânica, o que em muitas vezes dificulta sua aplicação em áreas que apresentam esforço mecânico elevado. Já os nanotubos de carbono apresentam baixa densidade e forte ligação covalente entre seus átomos, o que confere alta resistência mecânica ao material. Por tal motivo foram estudadas por meio de simulação computacional a influência dos nanotubos de carbono (CNT), de parede única, pristine e funcionalizados com agrupamentos orgânicos hidroxila (CNT-OH) e carboxila (CNT-COOH) com concentrações de funcionalização de (5, 10, 15, 20 e 25)%, na estrutura da hidroxiapatita. Realizamos testes experimentais sintetizando a HAC com ~1% de CNTs pristine e funcionalizado com -COOH. Os estudos computacionais foram feitos utilizando-se de dinâmica de rede onde resolve-se as equações de movimento para todo o sistema, posteriormente também foi realizada a otimização dos sistemas. Na parte experimental as sínteses foram feitas pelo método de precipitação aquosa de [(NH4 )2+(NH4 )2 CO3 ] +Ca(NO3 )2 acrescentando-se ~1% CNTs em relação a massa HAC obtida. As amostras foram caracterizadas por difração de raio x (DRX), Análise Termogravimétrica (TG/DTA), espectroscopia na região do infravermelho (IV) e analise elementar. Como esperado, a dinâmica de rede mostrou que os CNTs pristine apresentam uma menor interação com a hidroxiapatita devido a sua alta estabilidade química. Já os CNTs funcionalizados com -OH e -COOH interagiram melhor com a matriz da hidroxiapatita. O módulo de Bulk mostrou que as funcionalizações com 20 % de -OH e -COOH forneceram maior rigidez ao material. Os resultados de DRXs indicam amostras com pouca cristalinidade, com T.C de ~25 Å. Os resultados de DRX, TG/DTA e IV mostraram que os CNTs pristine aparentemente não afetaram a estrutura da HAC. Porém, por DRX foi observado que os CNT-COOH podem ter interagido com a HAC, devido ao deslocamento do pico do padrão de difração. Os espectros de infravermelho sugerem a presença do íons CO3-2 nos sítios A e B da hidroxiapatita, e às medidas de análises elementar mostram que foi introduzido ~6 % de carbonato na estrutura das amostras como pretendido.Fundação de Amparo à Pesquisa do Estado de Minas Gerais - FAPEMIGapplication/pdfporUniversidade Federal de AlfenasPrograma de Pós-graduação em FísicaUNIFAL-MGBrasilInstituto de Ciências Exatasinfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/HidroxiapatitaNanotubos de carbonoFISICA::FISICA DA MATERIA CONDENSADAInteração de nanotubos de carbono com hidroxiapatitainfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/publishedVersion-81563116783631435996006006001368929812056116627-1527361517405938873reponame:Repositório Institucional da Universidade Federal de Alfenas - RiUnifalinstname:Universidade Federal de Alfenas (UNIFAL)instacron:UNIFALKnupp, Wanderson GeraldoLICENSElicense.txtlicense.txttext/plain; charset=utf-81987https://repositorio.unifal-mg.edu.br/bitstreams/33fa5475-08b8-4230-ade0-41508eccab94/download31555718c4fc75849dd08f27935d4f6bMD51CC-LICENSElicense_urllicense_urltext/plain; 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dc.title.pt-BR.fl_str_mv Interação de nanotubos de carbono com hidroxiapatita
title Interação de nanotubos de carbono com hidroxiapatita
spellingShingle Interação de nanotubos de carbono com hidroxiapatita
Knupp, Wanderson Geraldo
Hidroxiapatita
Nanotubos de carbono
FISICA::FISICA DA MATERIA CONDENSADA
title_short Interação de nanotubos de carbono com hidroxiapatita
title_full Interação de nanotubos de carbono com hidroxiapatita
title_fullStr Interação de nanotubos de carbono com hidroxiapatita
title_full_unstemmed Interação de nanotubos de carbono com hidroxiapatita
title_sort Interação de nanotubos de carbono com hidroxiapatita
author Knupp, Wanderson Geraldo
author_facet Knupp, Wanderson Geraldo
author_role author
dc.contributor.author.fl_str_mv Knupp, Wanderson Geraldo
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/3732563704810366
dc.contributor.advisor-co1.fl_str_mv Caraballo, Mirta Mir
dc.contributor.referee1.fl_str_mv Bezerra, Anibal Thiago
dc.contributor.referee2.fl_str_mv Campos, Maria Gabriela Nogueira
dc.contributor.advisor1.fl_str_mv Camps Rodríguez, Ihosvany
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/7179720346302573
contributor_str_mv Caraballo, Mirta Mir
Bezerra, Anibal Thiago
Campos, Maria Gabriela Nogueira
Camps Rodríguez, Ihosvany
dc.subject.por.fl_str_mv Hidroxiapatita
Nanotubos de carbono
topic Hidroxiapatita
Nanotubos de carbono
FISICA::FISICA DA MATERIA CONDENSADA
dc.subject.cnpq.fl_str_mv FISICA::FISICA DA MATERIA CONDENSADA
description One of the characteristics to be achieved by biomaterials is to have similarity to the host material. In cases of bone replacement, in which the bones have high mechanical strength and a nanometric particle order, it is important that the material to be used exhibit these characteristics. Thus, the interaction between these materials is favored reducing the recovery time of the patient as the possible clinical complications. The carbonated hydroxyapatite (HAC) [Ca10-x(PO4)6-x (CO3)x (OH)2-x] has considerable similarities in relation to the human bone order of magnitude and composition, but it shows itself with low mechanical resistance, which in many cases makes it difficult to apply in areas that present high mechanical stress. Carbon nanotubes have low density and strong covalent bonding between their atoms, which gives high mechanical resistance to the material. For this reason, the influence of pristine single wall carbon nanotubes (CNT) and functionalized with hydroxyl organic groups (CNT-OH) and carboxyl (CNT-COOH) were studied using computational simulation with concentrations of functionalization of (5, 10, 15, 20, and 25) % in the hydroxyapatite structure. We performed experimental tests by synthesizing the HAC with ~1 % of pristine CNTs and functionalized with -COOH. The computational studies were done using network dynamics where the equations of motion for the whole system are solved, and the systems optimization was also performed. In the experimental part, the syntheses were made by the aqueous precipitation method of [(NH4 )2+(NH4 )2 CO3 ] +Ca(NO3 )2, adding ~1% CNTs in relation to the HAC mass obtained. The samples were characterized by X-ray diffraction (XRD), Thermogravimetric Analysis (TG / DTA), infrared (IR) spectroscopy and elemental analysis. As expected, the network dynamics showed that pristine CNTs show less interaction with hydroxyapatite because of their high chemical stability. However, the CNTs functionalized with -OH and -COOH interacted better with the hydroxyapatite matrix. The Bulk modulus showed that the functionalizations with 20% of -OH and -COOH provided greater rigidity to the material. The results of DRXs indicate samples with low crystallinity, with T.C of ~25 Å. The results of XRD, TG / DTA and IV showed that the pristine CNTs apparently did not affect the structure of the CAH. However, by XRD it was observed that the CNT-COOH may have interacted with the HAC due to the displacement of the diffraction pattern peak. Infrared spectra suggest the presence of the CO3-2 ions at the hydroxyapatite sites A and B, and the elemental analysis measurements show that ~ 6% carbonate is introduced into the structure of the Samples as intended.
publishDate 2017
dc.date.issued.fl_str_mv 2017-03-31
dc.date.accessioned.fl_str_mv 2018-08-02T14:14:58Z
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dc.identifier.citation.fl_str_mv KNUPP, Wanderson Geraldo. Interação de nanotubos de carbono com hidroxiapatita. 2017. 81 f. Dissertação (Mestrado em Física) - Universidade Federal de Alfenas, Alfenas, MG, 2017.
dc.identifier.uri.fl_str_mv https://repositorio.unifal-mg.edu.br/handle/123456789/1178
identifier_str_mv KNUPP, Wanderson Geraldo. Interação de nanotubos de carbono com hidroxiapatita. 2017. 81 f. Dissertação (Mestrado em Física) - Universidade Federal de Alfenas, Alfenas, MG, 2017.
url https://repositorio.unifal-mg.edu.br/handle/123456789/1178
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