Effect of gold nanoparticle morphology on adsorbed protein structure and function

Gagner, Jennifer E.; Lopez, Marimar D.; Dordick, Jonathan S.; Siegel, Richard W.

doi:10.1016/j.biomaterials.2011.05.091

Cited by 273 publications

(241 citation statements)

References 56 publications

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“…The topographic characteristics of a surface or nanoparticle at the micro-to nanometer-scale are important determinants of protein adsorption properties, such as binding affinities and surface saturation values (Fenoglio et al 2011;Gagner et al 2011Gagner et al , 2012Roach et al 2006). The topography of a surface can be characterized by its exposed crystal planes, its roughness and its defects (due to locally varying chemical composition or the crystalline structure of the surface), as well as kinks, edges and steps that occur during the growth of a crystal.…”

Section: Topographymentioning

confidence: 99%

“…the kinetics, thermodynamics and structural stability of adsorbed proteins, increases with decreasing particle size (Lacerda et al 2010), but also depends on the adsorbate. Moreover, a strong difference in binding to spherical nanoparticles and nanorods is often observed (Gagner et al 2011). A structural adaption to the curvature of the nanoparticle surface upon adsorption may lead to a loss of enzymatic activity of some proteins (Wu & Narsimhan, 2008), or it may lead to significant changes in secondary or tertiary structures of self-assembling peptides (Shaw et al 2012) or proteins (Tavanti et al 2015;Yang et al 2013) adsorbing onto the surfaces.…”

Section: Morphologymentioning

confidence: 99%

“…A structural adaption to the curvature of the nanoparticle surface upon adsorption may lead to a loss of enzymatic activity of some proteins (Wu & Narsimhan, 2008), or it may lead to significant changes in secondary or tertiary structures of self-assembling peptides (Shaw et al 2012) or proteins (Tavanti et al 2015;Yang et al 2013) adsorbing onto the surfaces. It has been shown that while surface curvature may help to retain the tertiary structure of some proteins with globular structures adsorbed on small nanoparticles (Vertegel et al 2004;Lundqvist et al 2004), it can also cause significant loss in the secondary structure of a protein upon adsorption (Gagner et al 2011).…”

Section: Morphologymentioning

confidence: 99%

See 2 more Smart Citations

Modeling and simulation of protein–surface interactions: achievements and challenges

Ozboyaci

Kokh

Corni

et al. 2016

Quart. Rev. Biophys.

197

199

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Abstract. Understanding protein-inorganic surface interactions is central to the rational design of new tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant amount of experimental research on protein adsorption onto solid substrates has been reported, many aspects of the recognition and interaction mechanisms of biomolecules and inorganic surfaces are still unclear. Theoretical modeling and simulations provide complementary approaches for experimental studies, and they have been applied for exploring protein-surface binding mechanisms, the determinants of binding specificity towards different surfaces, as well as the thermodynamics and kinetics of adsorption. Although the general computational approaches employed to study the dynamics of proteins and materials are similar, the models and force-fields (FFs) used for describing the physical properties and interactions of material surfaces and biological molecules differ. In particular, FF and water models designed for use in biomolecular simulations are often not directly transferable to surface simulations and vice versa. The adsorption events span a wide range of time-and length-scales that vary from nanoseconds to days, and from nanometers to micrometers, respectively, rendering the use of multi-scale approaches unavoidable. Further, changes in the atomic structure of material surfaces that can lead to surface reconstruction, and in the structure of proteins that can result in complete denaturation of the adsorbed molecules, can create many intermediate structural and energetic states that complicate sampling. In this review, we address the challenges posed to theoretical and computational methods in achieving accurate descriptions of the physical, chemical and mechanical properties of protein-surface systems. In this context, we discuss the applicability of different modeling and simulation techniques ranging from quantum mechanics through all-atom molecular mechanics to coarse-grained approaches. We examine uses of different sampling methods, as well as free energy calculations. Furthermore, we review computational studies of protein-surface interactions and discuss the successes and limitations of current approaches.

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Section: Topographymentioning

confidence: 99%

Section: Morphologymentioning

confidence: 99%

Section: Morphologymentioning

confidence: 99%

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Modeling and simulation of protein–surface interactions: achievements and challenges

Ozboyaci

Kokh

Corni

et al. 2016

Quart. Rev. Biophys.

197

199

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show abstract

“…The contribution of released hazardous substances to nanoparticle toxicity has already been mentioned. An example of another mechanism which may underlie nanoparticle hazard is the nanoparticle-induced change in structure of functional proteins, negatively affecting protein functionality, such as enzymatic activity [97,98]. Biological effects of Au, Pt, and Ag nanoparticles have for instance been linked to interactions with specific proteins, negatively affecting their activity [99, and references therein].…”

Section: Molecular Mechanisms Underlying the Cytotoxicity Of Persistementioning

confidence: 99%

“…It may well be that smaller nanoparticles are more likely to breach the barrier of the stratum corneum than larger nanoparticles [120]. Following breaching of the stratum corneum, effects may be based on interaction with antigen presenting cells [117] and the molecular mechanisms discussed before, such as the generation of reactive oxygen species and interaction with cellular components such as proteins [1][2][3][96][97][98][99], and references therein]. Research so far has not provided evidence of transdermal penetration of TiO 2 nanoparticles [119,120].…”

Section: Human Health Hazards Following From Dermal Exposure To Persimentioning

confidence: 99%

Human health hazards of persistent inorganic and carbon nanoparticles

Reijnders

2012

J Mater Sci

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Persistent inorganic and carbon nanoparticles are increasingly engineered for applications and may also be present in conventional materials such as carbon black. Furthermore, they may originate from conventional non particulate materials by processes such as wear and tear. Persistent inorganic and carbon nanoparticles can be hazardous to humans. Relatively much research regards the hazards of inhaled nanoparticles. These may give rise to respiratory disease and to negative effects on other organs, including the cardiovascular system. Determinants of risk of inhaled nanoparticles include: number, size, surface characteristics, shape, structure, and the formation of assemblages. These determinants should preferentially be considered in exposure metrics. A major molecular mechanism underlying the inhalation hazard of nanoparticles is the generation of reactive oxygen species, but other mechanisms such as interactions with proteins and DNA may also contribute. Health hazards may also be linked to ingestion of persistent inorganic and carbon nanoparticles, dermal exposure and exposure of the eye. Standards for workplace exposure to persistent inorganic and carbon are currently emerging and there are options for hazard reduction by elimination and substitution of hazardous nanoparticles and by engineering controls.

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The Safety of Emerging Inorganic and Carbon Nanomaterials

Reijnders

2013

Aerosol Science

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Effect of gold nanoparticle morphology on adsorbed protein structure and function

Cited by 273 publications

References 56 publications

Modeling and simulation of protein–surface interactions: achievements and challenges

Modeling and simulation of protein–surface interactions: achievements and challenges

Human health hazards of persistent inorganic and carbon nanoparticles

The Safety of Emerging Inorganic and Carbon Nanomaterials

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