Biological Surface Adsorption Index of Nanomaterials: Modelling Surface Interactions of Nanomaterials with Biomolecules.

Quantitative analysis of the interactions between nanomaterials and their surrounding environment is crucial for safety evaluation in the application of nanotechnology as well as its development and standardization. In this chapter, we demonstrate the importance of the adsorption of surrounding molecules onto the surface of nanomaterials by forming biocorona and thus impact the bio-identity and fate of those materials. We illustrate the key factors including various physical forces in determining the interaction happening at bio-nano interfaces. We further discuss the mathematical endeavors in explaining and predicting the adsorption phenomena, and propose a new statistics-based surface adsorption model, the Biological Surface Adsorption Index (BSAI), to quantitatively analyze the interaction profile of surface adsorption of a large group of small organic molecules onto nanomaterials with varying surface physicochemical properties, first employing five descriptors representing the surface energy profile of the nanomaterials, then further incorporating traditional semi-empirical adsorption models to address concentration effects of solutes. These Advancements in surface adsorption modelling showed a promising development in the application of quantitative predictive models in biological applications, nanomedicine, and environmental safety assessment of nanomaterials.

[1]  N. Saifuddin,et al.  Microwave enhanced synthesis of chitosan-graft-polyacrylamide molecular imprinting polymer for selective removal of 17β-estradiol at trace concentration , 2011 .

[2]  Paola Gramatica,et al.  Principles of QSAR models validation: internal and external , 2007 .

[3]  A. Moradi,et al.  Removal of permethrin pesticide from water by chitosan–zinc oxide nanoparticles composite as an adsorbent , 2014 .

[4]  David M. Cwiertny,et al.  Adsorption of organic acids on TiO2 nanoparticles: effects of pH, nanoparticle size, and nanoparticle aggregation. , 2008, Langmuir : the ACS journal of surfaces and colloids.

[5]  C. Hansch,et al.  p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure , 1964 .

[6]  R. Weissleder,et al.  Modeling biological activities of nanoparticles. , 2012, Nano letters.

[7]  R Weissleder,et al.  Modelling and predicting the biological effects of nanomaterials , 2014, SAR and QSAR in environmental research.

[8]  Frank R Burden,et al.  Quantitative structure-property relationship modeling of diverse materials properties. , 2012, Chemical reviews.

[9]  S. Siegesmund,et al.  N(2)-BET specific surface area of bentonites. , 2010, Journal of colloid and interface science.

[10]  D. Do.  Adsorption Analysis: Equilibria and Kinetics (with CD Containing Computer MATLAB Programs) , 1998 .

[11]  I. Jolliffe.  Principal Component Analysis , 2002 .

[12]  Kaizhi Tang,et al.  Predictive modeling of nanomaterial exposure effects in biological systems , 2013, International journal of nanomedicine.

[13]  N. Nirmalakhandan,et al.  Prediction of activated carbon adsorption isotherms for organic vapors. , 1994, Environmental science & technology.

[14]  M. Prato,et al.  Applications of carbon nanotubes in drug delivery. , 2005, Current opinion in chemical biology.

[15]  Yi Zhang,et al.  Functionalized carbon nanotubes for potential medicinal applications. , 2010, Drug discovery today.

[16]  K. Dawson,et al.  Detecting Cryptic Epitopes Created by Nanoparticles , 2006, Science's STKE.

[17]  Nicholas K. Geitner,et al.  Binding of cytoskeletal proteins with silver nanoparticles , 2013 .

[18]  T. Pradeep,et al.  Understanding the degradation pathway of the pesticide, chlorpyrifos by noble metal nanoparticles. , 2012, Langmuir : the ACS journal of surfaces and colloids.

[19]  Weiying Zhang,et al.  Nanomaterial-based biosensors for environmental and biological monitoring of organophosphorus pesticides and nerve agents , 2014 .

[20]  Hossein Tavanai,et al.  Destructive Adsorption of Diazinon Pesticide by Activated Carbon Nanofibers Containing Al2O3 and MgO Nanoparticles , 2013, Bulletin of Environmental Contamination and Toxicology.

[21]  Kun Yang,et al.  Adsorption of organic compounds by carbon nanomaterials in aqueous phase: Polanyi theory and its application. , 2010, Chemical reviews.

[22]  Ruhong Zhou,et al.  Interactions between proteins and carbon-based nanoparticles: exploring the origin of nanotoxicity at the molecular level. , 2013, Small.

[23]  George Huang,et al.  Formation and cell translocation of carbon nanotube-fibrinogen protein corona. , 2012, Applied physics letters.

[24]  Joseph D. Andrade,et al.  Protein adsorption and materials biocompatibility: A tutorial review and suggested hypotheses , 1986 .

[25]  D. Fawcett,et al.  Engineering a Biocompatible Scaffold with Either Micrometre or Nanometre Scale Surface Topography for Promoting Protein Adsorption and Cellular Response , 2013, International journal of biomaterials.

[26]  B. Gilbert,et al.  The effects of nanoparticle aggregation processes on aggregate structure and metal uptake. , 2009, Journal of colloid and interface science.

[27]  Kenneth A. Dawson,et al.  Protein–Nanoparticle Interactions , 2008, Nano-Enabled Medical Applications.

[28]  S. Shanthakumar,et al.  Silver nanoparticles: synthesis and application in mineralization of pesticides using membrane support , 2014, International Nano Letters.

[29]  P. J. Reucroft,et al.  Sorption properties of activated carbon , 1971 .

[30]  Simple approach to study biomolecule adsorption in polymeric microfluidic channels. , 2013, Analytica chimica acta.

[31]  Eiji Yamamoto,et al.  Prediction method for adsorption capacities of commercial activated carbons in removal of organic vapors , 1982 .

[32]  Sara Linse,et al.  The nanoparticle-protein complex as a biological entity; a complex fluids and surface science challenge for the 21st century. , 2007, Advances in colloid and interface science.

[33]  J. Dearden,et al.  How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR) , 2009, SAR and QSAR in environmental research.

[34]  V. Castranova,et al.  Mechanisms of pulmonary toxicity and medical applications of carbon nanotubes: Two faces of Janus? , 2009, Pharmacology & therapeutics.

[35]  Andrew Emili,et al.  Protein corona fingerprinting predicts the cellular interaction of gold and silver nanoparticles. , 2014, ACS nano.

[36]  Paola Gramatica,et al.  Statistical external validation and consensus modeling: a QSPR case study for Koc prediction. , 2007, Journal of molecular graphics & modelling.

[37]  Malcolm L. H. Green,et al.  Complement activation and protein adsorption by carbon nanotubes. , 2006, Molecular immunology.

[38]  Kinam Park,et al.  Sequential protein adsorption and thrombus deposition on polymeric biomaterials , 1986 .

[39]  Ting Shao,et al.  Predictive model development for adsorption of aromatic contaminants by multi-walled carbon nanotubes. , 2013, Environmental science & technology.

[40]  Andrew Campitelli,et al.  Reduced nonspecific adsorption on covalently immobilized protein surfaces using poly(ethylene oxide) containing blocking agents. , 2004, Journal of biochemical and biophysical methods.

[41]  Minnamari Vippola,et al.  Proteomic characterization of engineered nanomaterial-protein interactions in relation to surface reactivity. , 2011, ACS nano.

[42]  A. Gast,et al.  Manipulation of hydrophobic interactions in protein adsorption , 1991 .

[43]  A. Moore,et al.  Noninvasive MRI-SERS imaging in living mice using an innately bimodal nanomaterial. , 2011, ACS nano.

[44]  Haiping Fang,et al.  Nanotoxicity: Exploring the Interactions Between Carbon Nanotubes and Proteins , 2011 .

[45]  Aravind Subramanian,et al.  Perturbational profiling of nanomaterial biologic activity , 2008, Proceedings of the National Academy of Sciences.

[46]  S. Ufer,et al.  Protein adsorption to planar electrochemical sensors and sensor materials , 2004 .

[47]  Ran Chen,et al.  Quantification of nanoparticle pesticide adsorption: computational approaches based on experimental data , 2016, Nanotoxicology.

[48]  C. Hansch.  Quantitative structure-activity relationships and the unnamed science , 1993 .

[49]  P. Bhattacharya,et al.  Interaction of lipid vesicle with silver nanoparticle-serum albumin protein corona. , 2012, Applied physics letters.

[50]  L. Unsworth,et al.  Protein resistance of surfaces prepared by sorption of end-thiolated poly(ethylene glycol) to gold: effect of surface chain density. , 2005, Langmuir : the ACS journal of surfaces and colloids.

[51]  N. Nirmalakhandan,et al.  Prediction of activated carbon adsorption capacities for organic vapors using quantitative structure-activity relationship methods , 1993 .

[52]  Sanjay Mathur,et al.  Mapping the surface adsorption forces of nanomaterials in biological systems. , 2011, ACS nano.

[53]  Anthony J. Stone,et al.  The Theory of Intermolecular Forces , 2013 .

[54]  P. Gschwend,et al.  Evaluating activated carbon-water sorption coefficients of organic compounds using a linear solvation energy relationship approach and sorbate chemical activities. , 2009, Environmental science & technology.

[55]  Ariela Vergara-Jaque,et al.  Predicting Adsorption Affinities of Small Molecules on Carbon Nanotubes Using Molecular Dynamics Simulation. , 2015, ACS nano.

[56]  Ruhong Zhou,et al.  Plugging into proteins: poisoning protein function by a hydrophobic nanoparticle. , 2010, ACS nano.

[57]  François M. Peeters,et al.  Water on graphene: Hydrophobicity and dipole moment using density functional theory , 2009 .

[58]  R. V. Van Duyne,et al.  Localized surface plasmon resonance spectroscopy and sensing. , 2007, Annual review of physical chemistry.

[59]  Lori A. Passmore,et al.  Controlling protein adsorption on graphene for cryo-EM using low-energy hydrogen plasmas , 2014, Nature Methods.

[60]  N. Barakat,et al.  Effective photodegradation of methomyl pesticide in concentrated solutions by novel enhancement of the photocatalytic activity of TiO2 using CdSO4 nanoparticles , 2013, Environmental Science and Pollution Research.

[61]  Hongjie Dai,et al.  Single-walled carbon nanotube surface control of complement recognition and activation. , 2013, ACS nano.

[62]  M. Karelson.  Molecular descriptors in QSAR/QSPR , 2000 .

[63]  Jean-Christophe Charlier,et al.  pi-stacking interaction between carbon nanotubes and organic molecules , 2005 .

[64]  Frank R Burden,et al.  Predicting the complex phase behavior of self-assembling drug delivery nanoparticles. , 2013, Molecular pharmaceutics.

[65]  J. James,et al.  A Review of Carbon Nanotube Toxicity and Assessment of Potential Occupational and Environmental Health Risks , 2006, Critical reviews in toxicology.

[66]  T. Xia,et al.  Understanding biophysicochemical interactions at the nano-bio interface. , 2009, Nature materials.

[67]  Ruhong Zhou,et al.  Adsorption of Villin Headpiece onto Graphene, Carbon Nanotube, and C60: Effect of Contacting Surface Curvatures on Binding Affinity , 2011 .

[68]  J. S. Mattson,et al.  Surface Charge, Protein Adsorption, and Thrombosis , 1974 .

[69]  Emppu Salonen,et al.  In vitro polymerization of microtubules with a fullerene derivative. , 2011, ACS nano.

[70]  Douglas M. Ruthven,et al.  Principles of Adsorption and Adsorption Processes , 1984 .

[71]  B. Xing,et al.  Adsorption mechanisms of organic chemicals on carbon nanotubes. , 2008, Environmental science & technology.

[72]  H. Krug,et al.  Carbon nanotubes show no sign of acute toxicity but induce intracellular reactive oxygen species in dependence on contaminants. , 2007, Toxicology letters.

[73]  Anna Tsantili-Kakoulidou,et al.  Alternative measures of lipophilicity: from octanol-water partitioning to IAM retention. , 2008, Journal of pharmaceutical sciences.

[74]  Koon Gee Neoh,et al.  Plasma protein adsorption and thrombus formation on surface functionalized polypyrrole with and without electrical stimulation. , 2004, Journal of colloid and interface science.

[75]  Robert B Sim,et al.  Complement activation by carbon nanotubes. , 2011, Advanced drug delivery reviews.

[76]  A. Buccolieri,et al.  Non-functionalized silver nanoparticles for a localized surface plasmon resonance-based glucose sensor , 2009, Nanotechnology.

[77]  Guodong Liu,et al.  Electrochemical sensor for organophosphate pesticides and nerve agents using zirconia nanoparticles as selective sorbents. , 2005, Analytical chemistry.

[78]  N. Saifuddin,et al.  Chitosan-silver nanoparticles composite as point-of-use drinking water filtration system for household to remove pesticides in water , 2011 .

[79]  Sarwar Beg,et al.  Advancement in carbon nanotubes: basics, biomedical applications and toxicity , 2011, The Journal of pharmacy and pharmacology.

[80]  Jim E Riviere,et al.  An index for characterization of nanomaterials in biological systems. , 2010, Nature nanotechnology.

[81]  M. Mokhtar,et al.  Influence of crystal structure of nanosized ZrO2 on photocatalytic degradation of methyl orange , 2015, Nanoscale Research Letters.

[82]  M Laird Forrest,et al.  Effects of nanomaterial physicochemical properties on in vivo toxicity. , 2009, Advanced drug delivery reviews.

[83]  Jianhong Zhou,et al.  Zirconia electrodeposited on a self-assembled monolayer on a gold electrode for sensitive determination of parathion , 2011 .

[84]  K Kostarelos,et al.  Promises, facts and challenges for carbon nanotubes in imaging and therapeutics. , 2009, Nature nanotechnology.

[85]  V. Rotello,et al.  Engineering the nanoparticle-protein interface: applications and possibilities. , 2010, Current opinion in chemical biology.

[86]  Wei Chen,et al.  Influence of surface oxidation of multiwalled carbon nanotubes on the adsorption affinity and capacity of polar and nonpolar organic compounds in aqueous phase. , 2012, Environmental science & technology.

[87]  B. Xing,et al.  Concentration-dependent polyparameter linear free energy relationships to predict organic compound sorption on carbon nanotubes , 2014, Scientific Reports.

[88]  C. Scoglio,et al.  Nanoparticle surface characterization and clustering through concentration-dependent surface adsorption modeling. , 2014, ACS nano.

[89]  Effects of surface functional groups on the formation of nanoparticle-protein corona. , 2012, Applied physics letters.

[90]  D. Do,et al.  Adsorption analysis : equilibria and kinetics , 1998 .