Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?
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Haralambos Sarimveis | Philip Doganis | Egon Willighagen | Tomasz Puzyn | Antreas Afantitis | Andreas Tsoumanis | Georgia Melagraki | David A Winkler | Stacey Harper | Thomas E. Exner | Angela Serra | Luke Slater | Dieter Maier | Pekka Kohonen | Irene Liampa | Dario Greco | Thomas Exner | Vladimir Lobaskin | Iseult Lynch | Kaido Tämm | Nathan Bossa | Martin Himly | Natasha Sanabria | Anastasios G Papadiamantis | Anna Rybinska-Fryca | Maciej Gromelski | Blair D Johnston | Mary Gulumian | Marianne Matzke | Amaia Green Etxabe | Alexander CØ Jensen | A. Rybińska-Fryca | T. Puzyn | D. Greco | G. Melagraki | A. Afantitis | H. Sarimveis | Egon Willighagen | D. Winkler | P. Kohonen | I. Lynch | D. Maier | T. Exner | S. Harper | M. Matzke | Angela Serra | V. Lobaskin | M. Himly | K. Tämm | A. Green Etxabe | A. Tsoumanis | M. Gulumian | N. Bossa | M. Gromelski | N. Sanabria | P. Doganis | A. Papadiamantis | Blair Johnston | Irene Liampa | Alexander C. Ø. Jensen | Luke Slater | I. Liampa | A. Serra
[1] Ahram Kim,et al. Validation of Size Estimation of Nanoparticle Tracking Analysis on Polydisperse Macromolecule Assembly , 2019, Scientific Reports.
[2] S. C. O'brien,et al. C60: Buckminsterfullerene , 1985, Nature.
[3] F. Caputo,et al. Measuring particle size distribution of nanoparticle enabled medicinal products, the joint view of EUNCL and NCI‐NCL. A step by step approach combining orthogonal measurements with increasing complexity , 2019, Journal of controlled release : official journal of the Controlled Release Society.
[4] Firdous Ahmad Bhat,et al. Applications of Gold Nanoparticles in Cancer , 2017 .
[5] Jo Anne Shatkin,et al. Translating Scientific Advances in the AOP Framework to Decision Making for Nanomaterials , 2020, Nanomaterials.
[6] Andreas Tsoumanis,et al. Zeta-Potential Read-Across Model Utilizing Nanodescriptors Extracted via the NanoXtract Image Analysis Tool Available on the Enalos Nanoinformatics Cloud Platform. , 2020, Small.
[7] L. Lamon,et al. Computational models for the assessment of manufactured nanomaterials: Development of model reporting standards and mapping of the model landscape , 2019, Computational toxicology.
[8] R. Langer,et al. Engineering substrate topography at the micro- and nanoscale to control cell function. , 2009, Angewandte Chemie.
[9] G. Lowry,et al. Towards a definition of inorganic nanoparticles from an environmental, health and safety perspective. , 2009, Nature nanotechnology.
[10] Tomasz Puzyn,et al. How should the completeness and quality of curated nanomaterial data be evaluated? , 2016, Nanoscale.
[11] Friedrich C Simmel,et al. Comparison of four different particle sizing methods for siRNA polyplex characterization. , 2013, European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V.
[12] Charles R. Martin,et al. Nanomaterials: A Membrane-Based Synthetic Approach , 1994, Science.
[13] W. Hume-Rothery,et al. Atomic diameters, atomic volumes and solid solubility relations in alloys , 1966 .
[14] Michael T. Postek,et al. Nanoscale reference materials for environmental, health and safety measurements: needs, gaps and opportunities , 2012, Nanotoxicology.
[15] Bing Li,et al. Synthesis of 4H/fcc Noble Multimetallic Nanoribbons for Electrocatalytic Hydrogen Evolution Reaction. , 2016, Journal of the American Chemical Society.
[16] Jonathan C Knowles,et al. Advances in nanoparticle development for improved therapeutics delivery: nanoscale topographical aspect , 2019, Journal of tissue engineering.
[17] Stephen R. Heller,et al. InChI, the IUPAC International Chemical Identifier , 2015, Journal of Cheminformatics.
[18] U. Schubert,et al. Poly(ethylene glycol) in drug delivery: pros and cons as well as potential alternatives. , 2010, Angewandte Chemie.
[19] A. Hirsch. The era of carbon allotropes. , 2010, Nature materials.
[20] Jerzy Leszczynski,et al. NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment , 2020, Computational and structural biotechnology journal.
[21] Jurate Virkutyte,et al. Depletion of the protective aluminum hydroxide coating in TiO2-based sunscreens by swimming pool water ingredients. , 2012 .
[22] A. Akbarzadeh,et al. Carbon nanotubes: properties, synthesis, purification, and medical applications , 2014, Nanoscale Research Letters.
[23] Peter Gedeck,et al. Capturing mixture composition: an open machine-readable format for representing mixed substances , 2019, Journal of Cheminformatics.
[24] Dong-Jin Lim,et al. Gold Nanoparticles for Photothermal Cancer Therapy , 2019, Front. Chem..
[25] Egon L. Willighagen,et al. FAIR Principles: Interpretations and Implementation Considerations , 2020, Data Intelligence.
[26] Andrew Emili,et al. Protein corona fingerprinting predicts the cellular interaction of gold and silver nanoparticles. , 2014, ACS nano.
[27] Yan Zhou,et al. Non-Covalent Functionalization of Carbon Nanotubes for Electrochemical Biosensor Development , 2019, Sensors.
[28] Robert Rallo,et al. Chapter 6:Nanoinformatics for Safe-by-Design Engineered Nanomaterials , 2012 .
[29] Ali Bumajdad,et al. To what extent do polymeric stabilizers affect nanoparticles characteristics? , 2019, Advances in colloid and interface science.
[30] S. Moya,et al. Synthesis of Organic Nanoparticles , 2012 .
[31] Naomi J. Halas,et al. Nanoengineering of optical resonances , 1998 .
[32] Philip Doganis,et al. Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data , 2020, Nanomaterials.
[33] Antony J. Williams,et al. ChemSpider:: An Online Chemical Information Resource , 2010 .
[34] Yi Cui,et al. Design of Complex Nanomaterials for Energy Storage: Past Success and Future Opportunity. , 2017, Accounts of chemical research.
[35] Bengt Fadeel,et al. Advanced tools for the safety assessment of nanomaterials , 2018, Nature Nanotechnology.
[36] Fatima Nasser,et al. Nanomaterials in the Environment Acquire an “Eco‐Corona” Impacting their Toxicity to Daphnia Magna—a Call for Updating Toxicity Testing Policies , 2019, Proteomics.
[37] Mathieu Vinken,et al. 3Rs toxicity testing and disease modeling projects in the European Horizon 2020 research and innovation program , 2020, EXCLI journal.
[38] Leopold Talirz,et al. Giant edge state splitting at atomically precise graphene zigzag edges , 2016, Nature communications.
[39] Bernd Giebel,et al. Characterisation of exosomes derived from human cells by nanoparticle tracking analysis and scanning electron microscopy. , 2011, Colloids and surfaces. B, Biointerfaces.
[40] Eugenia Valsami-Jones,et al. A strategy for grouping of nanomaterials based on key physico-chemical descriptors as a basis for safer-by-design NMs , 2014 .
[41] François Béguin,et al. Structural defects play a major role in the acute lung toxicity of multiwall carbon nanotubes: toxicological aspects. , 2008, Chemical research in toxicology.
[42] Zhiqiang Su,et al. Electrospun doping of carbon nanotubes and platinum nanoparticles into the β-phase polyvinylidene difluoride nanofibrous membrane for biosensor and catalysis applications. , 2014, ACS applied materials & interfaces.
[43] Sheng Hong,et al. Rational Design of Multifunctional Gold Nanoparticles via Host-Guest Interaction for Cancer-Targeted Therapy. , 2015, ACS applied materials & interfaces.
[44] David J Scurr,et al. Immune Modulation by Design: Using Topography to Control Human Monocyte Attachment and Macrophage Differentiation , 2020, Advanced science.
[45] U. Schubert,et al. Aerogels-Airy Materials: Chemistry, Structure, and Properties. , 1998, Angewandte Chemie.
[46] Christof Asbach,et al. Key principles and operational practices for improved nanotechnology environmental exposure assessment , 2020, Nature Nanotechnology.
[47] S. Carenco,et al. Describing inorganic nanoparticles in the context of surface reactivity and catalysis. , 2018, Chemical communications.
[48] Richard W. Siegel,et al. Research opportunities on clusters and cluster-assembled materials—A Department of Energy, Council on Materials Science Panel Report , 1989 .
[49] Khalid Saeed,et al. Nanoparticles: Properties, applications and toxicities , 2017, Arabian Journal of Chemistry.
[50] Y. Shon,et al. Controlling surface ligand density and core size of alkanethiolate-capped Pd nanoparticles and their effects on catalysis. , 2012, Langmuir : the ACS journal of surfaces and colloids.
[51] Tokeer Ahmad,et al. Effect of gold ion concentration on size and properties of gold nanoparticles in TritonX-100 based inverse microemulsions , 2014, Applied Nanoscience.
[52] Anne Kahru,et al. Potency of (doped) rare earth oxide particles and their constituent metals to inhibit algal growth and induce direct toxic effects. , 2017, The Science of the total environment.
[53] Evan Bolton,et al. PubChem 2019 update: improved access to chemical data , 2018, Nucleic Acids Res..
[54] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[55] Heidi Olsson,et al. The JRC Nanomaterials Repository: A unique facility providing representative test materials for nanoEHS research. , 2016, Regulatory toxicology and pharmacology : RTP.
[56] W. Russell,et al. Ethical and Scientific Considerations Regarding Animal Testing and Research , 2011, PloS one.
[57] Gibson Peter,et al. An overview of concepts and terms used in the European Commission's definition of nanomaterial , 2019 .
[58] Paul S Weiss,et al. Where Are We Heading in Nanotechnology Environmental Health and Safety and Materials Characterization? , 2015, ACS nano.
[59] Jerzy Leszczynski,et al. SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes. , 2011, Anti-cancer agents in medicinal chemistry.
[60] Lutz Mädler,et al. Use of metal oxide nanoparticle band gap to develop a predictive paradigm for oxidative stress and acute pulmonary inflammation. , 2012, ACS nano.
[61] M. Otyepka,et al. Functionalization of graphene: covalent and non-covalent approaches, derivatives and applications. , 2012, Chemical reviews.
[62] Hao Hong,et al. Applications of gold nanoparticles in cancer nanotechnology. , 2008, Nanotechnology, science and applications.
[63] Axel Drefahl,et al. CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures , 2011, J. Cheminformatics.
[64] Klaus Sattler,et al. Systematic energetics study of graphene nanoflakes: From armchair and zigzag to rough edges with pronounced protrusions and overcrowded bays , 2015 .
[65] Hidenori Tanaka,et al. Enhancement of tetragonal anisotropy and stabilisation of the tetragonal phase by Bi/Mn-double-doping in BaTiO3 ferroelectric ceramics , 2017, Scientific Reports.
[66] George Papadatos,et al. The ChEMBL database in 2017 , 2016, Nucleic Acids Res..
[67] Weihua Tang,et al. First-principles investigation on redox properties of M -doped CeO 2 ( M = Mn , Pr , Sn , Zr ) , 2010 .
[68] Li Zhang,et al. Nanomaterials for cancer therapies , 2017 .
[69] Miguel Valcárcel,et al. Determination of TiO2 nanoparticles in sunscreen using N-doped graphene quantum dots as a fluorescent probe , 2016, Microchimica Acta.
[70] Martin H. G. Prechtl,et al. Metal oxide and bimetallic nanoparticles in ionic liquids: synthesis and application in multiphase catalysis , 2013 .
[71] J. Hillier,et al. A study of the nucleation and growth processes in the synthesis of colloidal gold , 1951 .
[72] S. Singh,et al. Functionalized Gold Nanoparticles and Their Biomedical Applications , 2011, Nanomaterials.
[73] Guanying Chen,et al. Rare-earth-doped fluoride nanoparticles with engineered long luminescence lifetime for time-gated in vivo optical imaging in the second biological window. , 2018, Nanoscale.
[74] Bryan Hellack,et al. Nanomaterial categorization by surface reactivity: A case study comparing 35 materials with four different test methods , 2020 .
[75] Jin Zhang,et al. Characterizing the chiral index of a single-walled carbon nanotube. , 2014, Small.
[76] M. Alice Ottoboni. The dose makes the poison : a plain-language guide to toxicology , 2011 .
[77] David Rejeski,et al. Nanotechnology in the real world: Redeveloping the nanomaterial consumer products inventory , 2015, Beilstein journal of nanotechnology.
[78] Tilen Koklic,et al. Surface deposited one-dimensional copper-doped TiO2 nanomaterials for prevention of health care acquired infections , 2018, PloS one.
[79] Haiyan Zhao,et al. Graphene and Graphene-Based Nanomaterials for DNA Detection: A Review , 2018, Molecules.
[80] Luis M Liz-Marzán,et al. In vivo formation of protein corona on gold nanoparticles. The effect of their size and shape. , 2018, Nanoscale.
[81] Christopher Southan,et al. InChI in the wild: an assessment of InChIKey searching in Google , 2013, Journal of Cheminformatics.
[82] Iseult Lynch,et al. Surface Chemistry-Dependent Evolution of the Nanomaterial Corona on TiO2 Nanomaterials Following Uptake and Sub-Cellular Localization , 2020, Nanomaterials.
[83] Eugenia Valsami-Jones,et al. Shape and Charge of Gold Nanomaterials Influence Survivorship, Oxidative Stress and Moulting of Daphnia magna , 2016, Nanomaterials.
[84] Feng Xiaoli,et al. Toxicology data of graphene-family nanomaterials: an update , 2020, Archives of Toxicology.
[85] M. P. Saravanakumar,et al. A review on the classification, characterisation, synthesis of nanoparticles and their application , 2017 .
[86] Younan Xia,et al. Gold Nanocages: Synthesis, Properties, and Applications , 2009 .
[87] Andrew P Worth,et al. A theoretical framework for predicting the oxidative stress potential of oxide nanoparticles , 2011, Nanotoxicology.
[88] Suntharampillai Thevuthasan,et al. Surface characterization of nanomaterials and nanoparticles: Important needs and challenging opportunities. , 2013, Journal of vacuum science & technology. A, Vacuum, surfaces, and films : an official journal of the American Vacuum Society.
[89] V. Torchilin. Targeted pharmaceutical nanocarriers for cancer therapy and imaging , 2007, The AAPS Journal.
[90] Kwang S. Kim,et al. Noncovalent Functionalization of Graphene and Graphene Oxide for Energy Materials, Biosensing, Catalytic, and Biomedical Applications. , 2016, Chemical reviews.
[91] Nongyue He,et al. Advanced Gold Nanomaterials for Photothermal Therapy of Cancer. , 2016, Journal of nanoscience and nanotechnology.
[92] Andreas Tsoumanis,et al. Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform , 2020, Nanomaterials.
[93] Hui Ru Tan,et al. Inverse Stellation of CuAu-ZnO Multimetallic-Semiconductor Nanostartube for Plasmon-Enhanced Photocatalysis. , 2018, ACS nano.
[94] Massimiliano Magro,et al. The surface reactivity of iron oxide nanoparticles as a potential hazard for aquatic environments: A study on Daphnia magna adults and embryos , 2018, Scientific Reports.
[95] Emilia Tomaszewska,et al. Detection limits of DLS and UV-Vis spectroscopy in characterization of polydisperse nanoparticles colloids , 2013 .
[96] Hao Yan,et al. Complex silica composite nanomaterials templated with DNA origami , 2018, Nature.
[97] Maria Dusinska,et al. Impact of storage conditions and storage time on silver nanoparticles' physicochemical properties and implications for their biological effects , 2015 .
[98] Wei Li,et al. Ni-doped MnO2/CNT nanoarchitectures as a cathode material for ultra-long life magnesium/lithium hybrid ion batteries , 2018, Materials Today Energy.
[99] Yang Li,et al. The contributions of metal impurities and tube structure to the toxicity of carbon nanotube materials , 2012 .
[100] Lutz Mädler,et al. Influence of nanoparticle doping on the colloidal stability and toxicity of copper oxide nanoparticles in synthetic and natural waters. , 2018, Water research.
[101] V. Vogel,et al. Comparison of scanning electron microscopy, dynamic light scattering and analytical ultracentrifugation for the sizing of poly(butyl cyanoacrylate) nanoparticles. , 2004, European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V.
[102] Guenter Grethe,et al. International chemical identifier for reactions (RInChI) , 2018, Journal of Cheminformatics.
[103] Frank Caruso,et al. Multilayer assemblies of silica-encapsulated gold nanoparticles on decomposable colloid templates. , 2001 .
[104] Dhiraj Kumar,et al. CONTROLLING THE SIZE AND SIZE DISTRIBUTION OF GOLD NANOPARTICLES: A DESIGN OF EXPERIMENT STUDY , 2012 .
[105] R. E. Watson,et al. Valency effects and relative solubilities in transition metal alloys , 1983 .
[106] Samuel Zalipsky,et al. Chemistry of polyethylene glycol conjugates with biologically active molecules , 1995 .
[107] Caterina Minelli,et al. Number Concentration of Gold Nanoparticles in Suspension: SAXS and spICPMS as Traceable Methods Compared to Laboratory Methods , 2019, Nanomaterials.
[108] Dominique Langevin,et al. Characterization of Nanoparticle Batch-To-Batch Variability , 2018, Nanomaterials.
[109] Jian Li,et al. Carbon nanotube in different shapes , 2009 .
[110] Xin Cai,et al. Comparison study of gold nanohexapods, nanorods, and nanocages for photothermal cancer treatment. , 2013, ACS nano.
[111] C. Schönenberger,et al. Aqueous Gold Sols of Rod-Shaped Particles , 1997 .
[112] Rui Li,et al. Understanding the adsorption of branched polyamine on surface of gold nanoparticles by molecular dynamics simulations , 2016 .
[113] Darcy J. Gentleman,et al. A systematic nomenclature for codifying engineered nanostructures. , 2009, Small.
[114] David B Warheit,et al. A role for nanoparticle surface reactivity in facilitating pulmonary toxicity and development of a base set of hazard assays as a component of nanoparticle risk management , 2009, Inhalation toxicology.
[115] G. Frens. Controlled Nucleation for the Regulation of the Particle Size in Monodisperse Gold Suspensions , 1973 .
[116] Igor P. Asanov,et al. Solid solutions of platinum(II) and palladium(II) oxalato-complex salt as precursors of nanoalloys , 2013 .
[117] Matt Trau,et al. A comparative study of submicron particle sizing platforms: accuracy, precision and resolution analysis of polydisperse particle size distributions. , 2013, Journal of colloid and interface science.
[118] Iftikhar Ali Sahito,et al. An evidence for an organic N-doped multiwall carbon nanotube heterostructure and its superior electrocatalytic properties for promising dye-sensitized solar cells , 2018 .
[119] Zhihong Nie,et al. Symmetry-Breaking Synthesis of Multicomponent Nanoparticles. , 2019, Accounts of chemical research.
[120] Surajit Sen,et al. Small nanoparticles, surface geometry and contact forces , 2018, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.
[121] Wang Yu,et al. Progress in the functional modification of graphene/graphene oxide: a review , 2020, RSC advances.
[122] Pranjal Chandra,et al. Design and characterization of novel Al-doped ZnO nanoassembly as an effective nanoantibiotic , 2018, Applied Nanoscience.
[123] Robert Lee,et al. Twenty-First Century Novel: Regulating Nanotechnologies , 2009 .
[124] Michael K Danquah,et al. Review on nanoparticles and nanostructured materials: history, sources, toxicity and regulations , 2018, Beilstein journal of nanotechnology.
[125] Dusan Losic,et al. Self-ordered nanopore and nanotube platforms for drug delivery applications , 2009, Expert opinion on drug delivery.
[126] Connor W. Coley,et al. BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules , 2019, ACS central science.
[127] Hui Zhang,et al. Gold nanocages: bioconjugation and their potential use as optical imaging contrast agents. , 2005, Nano letters.
[128] Philip G. Collins,et al. Hydrogen sensing and sensitivity of palladium-decorated single-walled carbon nanotubes with defects. , 2010, Nano letters.
[129] Stephen R. Heller,et al. InChI - the worldwide chemical structure identifier standard , 2013, Journal of Cheminformatics.
[130] Martin Pumera,et al. Ultrapure Graphene Is a Poor Electrocatalyst: Definitive Proof of the Key Role of Metallic Impurities in Graphene-Based Electrocatalysis. , 2019, ACS nano.
[131] Igor Linkov,et al. Risk Governance of Emerging Technologies Demonstrated in Terms of its Applicability to Nanomaterials. , 2020, Small.
[132] John T Elliott,et al. Stable nanoparticle aggregates/agglomerates of different sizes and the effect of their size on hemolytic cytotoxicity , 2011, Nanotoxicology.
[133] Jean-Olivier Durand,et al. Organosilica hybrid nanomaterials with a high organic content: syntheses and applications of silsesquioxanes. , 2016, Nanoscale.
[134] Himanshu Jain,et al. Nanoporosity significantly enhances the biological performance of engineered glass tissue scaffolds. , 2013, Tissue engineering. Part A.
[135] Minnamari Vippola,et al. Proteomic characterization of engineered nanomaterial-protein interactions in relation to surface reactivity. , 2011, ACS nano.
[136] V. V. Skorokhod,et al. Classification of nanostructures by dimensionality and concept of surface forms engineering in nanomaterial science , 2007 .
[137] Nguyen T. K. Thanh,et al. Characterization techniques for nanoparticles: comparison and complementarity upon studying nanoparticle properties. , 2018, Nanoscale.
[138] Taizo Mori,et al. Determining the composition of gold nanoparticles: a compilation of shapes, sizes, and calculations using geometric considerations , 2016, Journal of Nanoparticle Research.
[139] Mary Gulumian,et al. An assessment of applicability of existing approaches to predicting the bioaccumulation of conventional substances in nanomaterials , 2018, Environmental toxicology and chemistry.
[140] Joseph M. McLellan,et al. Facile synthesis of gold-silver nanocages with controllable pores on the surface. , 2006, Journal of the American Chemical Society.
[141] Eugenia Valsami-Jones,et al. Synthesis and characterization of Zr- and Hf-doped nano-TiO2 as internal standards for analytical quantification of nanomaterials in complex matrices , 2018, Royal Society Open Science.
[142] G. Varca,et al. An Overview of the Synthesis of Gold Nanoparticles Using Radiation Technologies , 2018, Nanomaterials.
[143] H. Gleiter,et al. Nanostructured materials: basic concepts and microstructure☆ , 2000 .
[144] Abolfazl Akbarzadeh,et al. Application of gold nanoparticles in biomedical and drug delivery , 2016, Artificial cells, nanomedicine, and biotechnology.
[145] A. Krasheninnikov,et al. Structural defects in graphene. , 2011, ACS nano.
[146] Valérie Forest,et al. Importance of Choosing Relevant Biological End Points To Predict Nanoparticle Toxicity with Computational Approaches for Human Health Risk Assessment. , 2019, Chemical research in toxicology.
[147] David A Winkler,et al. Role of Artificial Intelligence and Machine Learning in Nanosafety. , 2020, Small.
[148] Antreas Afantitis,et al. Enalos Suite of tools: Enhance Cheminformatics and Nanoinformatics through KNIME. , 2020, Current medicinal chemistry.