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1.
Inorg Chem ; 63(1): 689-705, 2024 Jan 08.
Artigo em Inglês | MEDLINE | ID: mdl-38146716

RESUMO

Biomolecules play a vital role in the regulation of biomineralization. However, the characteristics of practical nucleation domains are still sketchy. Herein, the effects of the representative biomolecular sequence and conformations on calcium phosphate (Ca-P) nucleation and mineralization are investigated. The results of computer simulations and experiments prove that the line in the arrangement of dual acidic/essential amino acids with a single interval (Bc (Basic) -N (Neutral) -Bc-N-Ac (Acidic)- NN-Ac-N) is most conducive to the nucleation. 2α-helix conformation can best induce Ca-P ion cluster formation and nucleation. "Ac- × × × -Bc" sequences with α-helix are found to be the features of efficient nucleation domains, in which process, molecular recognition plays a non-negligible role. It further indicates that the sequence determines the potential of nucleation/mineralization of biomolecules, and conformation determines the ability of that during functional execution. The findings will guide the synthesis of biomimetic mineralized materials with improved performance for bone repair.


Assuntos
Biomineralização , Fosfatos de Cálcio , Fosfatos de Cálcio/química , Conformação Molecular
2.
ACS Appl Mater Interfaces ; 15(31): 37232-37246, 2023 Aug 09.
Artigo em Inglês | MEDLINE | ID: mdl-37486779

RESUMO

Poly(etheretherketone) (PEEK) is regarded as an attractive orthopedic material because of its good biocompatibility and mechanical properties similar to natural bone. The efficient activation methods for the surfaces of PEEK matrix materials have become a hot research topic. In this study, a method using a femtosecond laser (FSL) followed by hydroxylation was developed to achieve efficient bioactivity. It produces microstructures, amorphous carbon, and grafted -OH groups on the PEEK surface to enhance hydrophilicity and surface energy. Both experimental and simulation results show that our modification leads to a superior ability to induce apatite deposition on the PEEK surface. The results also demonstrate that efficient grafting of C-OH through FSL-hydroxylation can effectively enhance cell proliferation and osteogenic differentiation compared to other modifications, thus improving osteogenic activity. Overall, FSL hydroxylation treatment is proved to be a simple, efficient, and environmentally friendly modification method for PEEK activation. It could expand the applications of PEEK in orthopedics, as well as promote the surface modification and structural design of other polymeric biomaterials to enhance bioactivity.


Assuntos
Osteogênese , Polietilenoglicóis , Polietilenoglicóis/química , Cetonas/farmacologia , Cetonas/química , Hidroxilação , Benzofenonas , Lasers , Propriedades de Superfície
3.
J Mater Chem B ; 10(36): 7014-7029, 2022 09 21.
Artigo em Inglês | MEDLINE | ID: mdl-36043488

RESUMO

Poly-ether-ether-ketone (PEEK) is considered a potential orthopedic material due to the excellent mechanical properties and chemical resistance, but its biological inertness hampers its further clinical application. In this study, advanced femtosecond laser microfabrication technology was utilized to induce the change of the surface characteristics of PEEK to improve its bioactivity. Meanwhile, the mechanism of surface reaction and improved bioactivity was interpreted in detail from the perspective of material science. The surface physical-chemical characterization results showed that femtosecond laser etching could increase the surface energy, and the contents of active sites including amorphous carbon and carbon-hydroxyl on PEEK surfaces. In vitro validation experiments demonstrated that the samples etched with a femtosecond laser had a better ability to induce apatite deposition and cell proliferation than those treated with popular sulfonation modification, which would lead to better bioactivity and osteointegration. The current work fully presents the mechanism of the femtosecond laser low-temperature plasma effect on PEEK and the resulting surface characteristics, which could broaden the application of PEEK in the orthopedic field. Moreover, it has great potential in the surface design and modification of other biomaterials with enhanced bioactivity.


Assuntos
Cetonas , Osteoblastos , Apatitas/química , Benzofenonas , Materiais Biocompatíveis/química , Carbono/química , Éter/metabolismo , Éter/farmacologia , Éteres , Cetonas/química , Lasers , Polietilenoglicóis/química , Polímeros , Propriedades de Superfície
4.
ACS Appl Mater Interfaces ; 13(41): 49519-49534, 2021 Oct 20.
Artigo em Inglês | MEDLINE | ID: mdl-34609125

RESUMO

Biomineralization is an important process of bone tissue generation. Calcium (Ca) and phosphate (P) ions aggregate and nucleate under the regulation of biomolecules at the initial mineralization stage. Due to the complexity of the physiological environment, the movement behavior and mineralization mechanism of calcium and phosphate ions, as well as the effect of biomolecules on them, are not clear. In this study, computer simulations and experimental verification were applied to investigate the characteristics of the initial biomineralization from the view of ion aggregation and nucleation. The results prove that P ions play a more important role in mineralization than Ca ions. The guanidyl group and surrounding carboxyl terminal groups are a potential excellent nucleation domain on proteins. The interval distribution of acidic/basic residues on protein is more conductive to the formation of large Ca and P ions clusters. The involvement of protein could increase the probability of hydroxyapatite phase precipitation, especially in the presence of a helical conformation. The detailed information on Ca and P ions behavior provided by the computer simulations is helpful for further understanding the mechanism of biomineralization, which will promote the development of bone repair materials to the biomimetic mineralized materials.


Assuntos
Calcificação Fisiológica , Fosfatos de Cálcio/metabolismo , Animais , Fosfatos de Cálcio/química , Bovinos , Galinhas , Teoria da Densidade Funcional , Durapatita/química , Durapatita/metabolismo , Humanos , Modelos Químicos , Simulação de Dinâmica Molecular , Muramidase/química , Muramidase/metabolismo , Ligação Proteica , Soroalbumina Bovina/química , Soroalbumina Bovina/metabolismo , Albumina Sérica Humana/química , Albumina Sérica Humana/metabolismo , Eletricidade Estática
5.
J Mater Chem B ; 9(18): 3912-3924, 2021 05 12.
Artigo em Inglês | MEDLINE | ID: mdl-33928992

RESUMO

The surface activation of titanium plays a key role in the biological properties of titanium implants as bone repair materials. Improving the ability to induce apatite precipitation on the surface was a well-accepted titanium bioactivation route. In this study, advanced femtosecond laser microfabrication was applied to modify titanium surfaces, and the effect of femtosecond laser etching on apatite precipitation was investigated and compared with popular titanium modification methods. Meanwhile, the mechanism of apatite formation after femtosecond laser modification was interpreted from the point of materials science. The surface physical-chemical characterization results showed that femtosecond laser etching can improve the surface hydrophilicity and increase the surface energy. Compared with traditional abrasive paper and acid-alkali treatment, this method increased the contents of active sites including titanium oxide and titanium-hydroxyl on titanium surfaces. TiO2 on the surface was transformed to TiO after femtosecond laser treatment. The samples etched with 0.3 W and 0.5 W femtosecond lasers had a better ability to induce apatite deposition than those treated with traditional mechanical treatment and popular acid-alkali modification, which would lead to better bioactivity and osteointegration. Considering the technical advantages of femtosecond lasers in microfabrication, it provides a more efficient and controllable scheme for the bioactivation of titanium. This research would improve the application potential of femtosecond laser treatment, such as micropattern preparation and surface activation, in the field of biomaterials.


Assuntos
Lasers , Titânio/química , Apatitas/química , Materiais Biocompatíveis/química , Interações Hidrofóbicas e Hidrofílicas , Propriedades de Superfície/efeitos da radiação , Fatores de Tempo , Água/química
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