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The role of basic residues in the adsorption of blood proteins onto the graphene surface.

ABSTRACT: With its many unique properties, graphene has shown great potential in various biomedical applications, while its biocompatibility has also attracted growing concerns. Previous studies have shown that the formation of protein-graphene corona could effectively reduce its cytotoxicity; however, the underlying molecular mechanism remains not well-understood. Herein, we use extensive molecular dynamics simulations to demonstrate that blood proteins such as bovine fibrinogen (BFG) can absorb onto the graphene surface quickly and tightly to form a corona complex. Aromatic residues contributed significantly during this adsorption process due to the strong ?-? stacking interactions between their aromatic rings and the graphene sp(2)-carbons. Somewhat surprisingly, basic residues like arginine, also played an equally or even stronger role during this process. The strong dispersion interactions between the sidechains of these solvent-exposed basic residues and the graphene surface provide the driving force for a tight binding of these basic residues. To the best of our knowledge, this is the first study with blood proteins to show that, in addition to the aromatic residues, the basic residues also play an important role in the formation of protein-graphene corona complexes.

SUBMITTER: Gu Z

PROVIDER: S-EPMC4451687 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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The role of basic residues in the adsorption of blood proteins onto the graphene surface.

Gu Zonglin Z Yang Zaixing Z Wang Lingle L Zhou Hong H Jimenez-Cruz Camilo A CA Zhou Ruhong R

Scientific reports 20150602

With its many unique properties, graphene has shown great potential in various biomedical applications, while its biocompatibility has also attracted growing concerns. Previous studies have shown that the formation of protein-graphene corona could effectively reduce its cytotoxicity; however, the underlying molecular mechanism remains not well-understood. Herein, we use extensive molecular dynamics simulations to demonstrate that blood proteins such as bovine fibrinogen (BFG) can absorb onto the ...[more]

PMID: 26034971

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Project description:Background Metronidazole (MNZ) is an antibiotic form that is considered as a dangerous environmental pollutant due to its widespread use as growth promoters in livestock and aquaculture operations along with its therapeutic application for humans. Purpose The objective of this work was to conduct a comparative study between the efficiency of the adsorption and photocatalytic degradation of MNZ in an aqueous solution by using magnesium oxide nanoparticles (MgO NP) under different effects, as well as evaluate the performance, reusability and cost study. Materials and Methods Several instruments such as XRD, EDX, SEM, and TEM were used to characterize the chemical composition and morphological properties of the synthesized MgO NP, while the GC-MS analysis was used to monitor the degradation pathway of MNZ particles within 180 min. The simple photo-batch reactor was used to investigate the degradation of MNZ under the effect of UV radiation, initial concentration of MNZ, pH, catalyst loading, inorganic salts addition, time, and temperature. Results The degradation efficiency is mainly divided into two steps: 35.7% for maximum adsorption and 57.5% for photodegradation. Adsorption isotherm models confirmed that the process nature is chemisorption and appropriate Langmuir model, as well as to be a nonspontaneous and endothermic reaction according to the thermodynamic study. Adsorption constant during dark condition is smaller than typical adsorption equilibrium constant derived from the Langmuir–Hinshelwood kinetic model through photodegradation of MNZ that follows pseudo-first-order kinetics. Toxicity rates were reduced considerably after the photodegradation process to 88.21%, 79.84%, and 67.32% and 57.45%, 51.98%, and 43.87% by heamolytic and brine shrimp assays, respectively, for initial MNZ concentrations (20, 60, and 100 mg/L). Conclusion We significantly recommend using MgO NP as a promising catalyst in the photodegradation applications for other organic pollutants in visible light.

Dataset Information

The role of basic residues in the adsorption of blood proteins onto the graphene surface.

Publications

The role of basic residues in the adsorption of blood proteins onto the graphene surface.

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