Density functional theory calculations and molecular dynamics simulations of the adsorption of biomolecules on graphene surfaces

Wu, Qin; Li, Xin; Bian, Wen-Wen; Fan, Xinggang; Qi, Jingyao

doi:10.1016/j.biomaterials.2009.10.013

Cited by 158 publications

(93 citation statements)

References 39 publications

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“…46 Despite the higher stability than lGO counterpart, considerable sediments still appeared at day 2 in the 10% serum solutions of both hGO and hGO/mPEG, owing to the intrinsically high absorption capability of GO to serum components ( Figure 1B). 9,17 Also, the noncovalent complexation with NP could effectively enhance the stability of the aqueous hGO dispersion. When the images between Figure 1B and C are compared, it was found that the PEGylation strategy proposed herein appeared to be less efficacious to stabilize hGO dispersion than that to stabilize lGO.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Graphene-Based Anticancer Nanosystem and Its Biosafety Evaluation Using a Zebrafish Model

et al. 2013

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In this paper, a facile strategy to develop graphenebased delivery nanosystems for effective drug loading and sustained drug release was proposed and validated. Specifically, biocompatible naphthalene-terminated PEG (NP) and anticancer drugs (curcumin or doxorubicin (DOX)) were simultaneously integrated onto oxidized graphene (GO), leading to selfassembled, nanosized complexes. It was found that the oxidation degree of GO had a significant impact on the drug-loading efficiency and the structural stability of nanosystems. Interestingly, the nanoassemblies resulted in more effective cellular entry of DOX in comparison with free DOX or DOX-loaded PEGpolyester micelles at equivalent DOX dose, as demonstrated by confocal microscopy studies. Moreover, the nanoassemblies not only exhibited a sustained drug release pattern without an initial burst release, but also significantly improved the stability of formulations which were resistant to drug leaking even in the presence of strong surfactants such as aromatic sodium benzenesulfonate (SBen) and aliphatic sodium dodecylsulfonate (SDS). In addition, the nanoassemblies without DOX loading showed negligible in vitro cytotoxicity, whereas DOX-loaded counterparts led to considerable toxicity against HeLa cells. The DOX-mediated cytotoxicity of the graphene-based formulation was around 20 folds lower than that of free DOX, most likely due to the slow DOX release from complexes. A zebrafish model was established to assess the in vivo safety profile of curcumin-loaded nanosystems. The results showed they were able to excrete from the zebrafish body rapidly and had nearly no influence on the zebrafish upgrowth. Those encouraging results may prompt the advance of graphene-based nanotherapeutics for biomedical applications.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Graphene-Based Anticancer Nanosystem and Its Biosafety Evaluation Using a Zebrafish Model

et al. 2013

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“…Observing single-layer GO nanosheets in biological samples with transient electron microscope is very difficult, but since GO nanosheets aggregate and fold in culture medium compared to pure water, their penetration into the cell is easily visible. Go nanosheets absorb amino acids and nutrients of the culture medium, and thus induce oxidative stresses (15)(16)(17). Hence, cytotoxicity and genotoxicity are probably indirectly induced, and the damage appears to be caused by oxidative stress pathways and oxidation of nuclear molecules, which induce cytotoxicity and genotoxicity (18,19).…”

Section: Discussionmentioning

confidence: 99%

Genotoxicity and Cytotoxicity Assessment of Graphene Oxide Nanosheets on HT29 Cells

Heshmati

Hajibabae

Barikrow

2018

J Kermanshah Univ Med Sci

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“…19 It exhibits high dispersibility 20 and hydrophilicity. 21 Particularly, the outstanding surface activity of GO, which is most likely caused by many functional groups on its surface, can exert adsorptive capability to drugs, 22,23 growth factors, 24 and other biomolecules 25 and can consequently provide important benefits related to tissue engineering therapy. In addition, several in vitro experiments have demonstrated that the use of GO markedly increased the degree of proliferation and differentiation of cultured cells, thereby suggesting that GO possesses good biocompatibility.…”

Section: Introductionmentioning

confidence: 99%

Graphene oxide scaffold accelerates cellular proliferative response and alveolar bone healing of tooth extraction socket

Nishida¹,

Miyaji²,

Kato³

et al. 2016

IJN

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Graphene oxide (GO) consisting of a carbon monolayer has been widely investigated for tissue engineering platforms because of its unique properties. For this study, we fabricated a GO-applied scaffold and assessed the cellular and tissue behaviors in the scaffold. A preclinical test was conducted to ascertain whether the GO scaffold promoted bone induction in dog tooth extraction sockets. For this study, GO scaffolds were prepared by coating the surface of a collagen sponge scaffold with 0.1 and 1 μg/mL GO dispersion. Scaffolds were characterized using scanning electron microscopy (SEM), physical testing, cell seeding, and rat subcutaneous implant testing. Then a GO scaffold was implanted into a dog tooth extraction socket. Histological observations were made at 2 weeks postsurgery. SEM observations show that GO attached to the surface of collagen scaffold struts. The GO scaffold exhibited an interconnected structure resembling that of control subjects. GO application improved the physical strength, enzyme resistance, and adsorption of calcium and proteins. Cytocompatibility tests showed that GO application significantly increased osteoblastic MC3T3-E1 cell proliferation. In addition, an assessment of rat subcutaneous tissue response revealed that implantation of 1 μg/mL GO scaffold stimulated cellular ingrowth behavior, suggesting that the GO scaffold exhibited good biocompatibility. The tissue ingrowth area and DNA contents of 1 μg/mL GO scaffold were, respectively, approximately 2.5-fold and 1.4-fold greater than those of the control. Particularly, the infiltration of ED2-positive (M2) macrophages and blood vessels were prominent in the GO scaffold. Dog bone-formation tests showed that 1 μg/mL GO scaffold implantation enhanced bone formation. New bone formation following GO scaffold implantation was enhanced fivefold compared to that in control subjects. These results suggest that GO was biocompatible and had high bone-formation capability for the scaffold. The GO scaffold is expected to be beneficial for bone tissue engineering therapy

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Density functional theory calculations and molecular dynamics simulations of the adsorption of biomolecules on graphene surfaces

Cited by 158 publications

References 39 publications

Graphene-Based Anticancer Nanosystem and Its Biosafety Evaluation Using a Zebrafish Model

Graphene-Based Anticancer Nanosystem and Its Biosafety Evaluation Using a Zebrafish Model

Genotoxicity and Cytotoxicity Assessment of Graphene Oxide Nanosheets on HT29 Cells

Graphene oxide scaffold accelerates cellular proliferative response and alveolar bone healing of tooth extraction socket

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