This paper outlines the range of problems solved by nanoinformatics, which is a newly originated discipline that combines the methods and tools for the propagation of data on nanomaterials as well as the instruments and technologies based on them. The specific features determined by the interdisciplinary character and rapid evolution of this knowledge area are summarized for the data on the properties of nanosized objects. The most-popular resources (databases, classifiers, and ontologies) on the properties of nanomaterials are presented. Some topical disproportions, which have occurred in nanoinformatics due to the predominant attention to nanomedicine at the expense of the traditional application fields of nanotechnologies, such as electronics and energetics, are pointed out. The general nanomaterial terminology and classification standards, which form a basis for the design of new databases and ontologies, are considered in detail. The CODATA (Committee on Data for Science and Technology) international standard for the universal description of a nanomaterial is proposed for use as the most advanced and universal approach to the solution of problems in nanoinformatics.
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Nanomanufacturing 2020 Roadmap, Amherst, MA: National Nanomanufacturing Network, 2011. http://eprints.internano.org/607/.
Eletskii, A.V., Erkimbaev, A.O., Kobzev, G.A., Trachtengerts, M.S., and Zitserman, V.Y., Properties of nanostructures: Data acquisition, categorization, and evaluation, Data Sci. J., 2012, vol. 11, pp. 126–139.
Rumble, J. and Freiman, St., Describing nanomaterials: Developing a multi-disciplinary framework, Nanoinformatics 2015 Workshop. http://nanoinformatics.org/2013/agenda.
Maojo, V., Towards a visual taxonomy of nanoparticles. Enabling successful discovery and applications, Nanoinformatics 2015 Workshop. http://nanoinformatics.org/2015/agenda.
Agrawal, A. and Choudhary, A., Perspective: Materials informatics and big data: Realization of the Fourth Paradigm of science in materials science, APL Mater., 2016, vol. 4, art. 053208.
Karagiannis, F., Keramida, D., Ioannidis, Y., et al., Technological and organizational aspects of global research data infrastructures towards 2020, Data Sci. J., 2013, vol. 12, pp. GRDI1–GRDI5.
Thomas, D.G., et al., Informatics and standards for nanomedicine technology, Wiley Interdiscip. Rev. Nanomed. Nanobiotechnol., 2011, vol. 3, no. 5, pp. 511–532.
Panneerselvam, S. and Choi, S., Nanoinformatics: Emerging databases and available tools, Int. J. Mol. Sci., 2014, vol. 15, pp. 7158–7182.
Mills, K.C., Murry, D., Guzan, K.A., and Ostraat, M.L., Nanomaterial registry: Database that captures the minimal information about nanomaterial physico-chemical characteristics, J. Nanopart. Res., 2014, vol. 16, p. 2219.
Guzan, K.A., Mills, K.C., Gupta, V., et al., Integration of data: The nanomaterial registry project and data curation, Comput. Sci. Discovery, 2013, vol. 6, art. 014007.
Eletskii, A.V., Erkimbaev, A.O., Zitserman, V.Yu., Kobzev, G.A., and Trakhtengerts, M.S., Thermal properties of nanoscale objects: Systematization and evaluation of data reliability, Teplofiz. Vys. Temp., 2012, vol. 50, no. 4, pp. 524–532.
Pokropivny, V.V. and Skorokhod, V.V., New dimensionality classifications of nanostructures, Phys. E, 2008, vol. 40, no. 7, pp. 2521–2525.
Erkimbayev, A.O., Zitserman, V.Yu., Kobzev, G.A., and Trakhtenherz, M.S., A digital library instead of a traditional database for nanotechnologies: An attempt to use the ABCD system, Autom. Doc. Math. Linguist., 2014, vol. 48, no. 4, pp. 212–223.
Kogalovskii, M.R. and Novikov, B.A., Electronic library as a new class of information systems, Programmirovanie, 2000, no. 3, pp. 3–8.
Poryseva, E.A., Krasnov, A.A., and Kol’tsova, E.M., Creation and development of an information system in the field of composite materials, Usp. Khim. Khim. Tekhnol., 2012, vol. 26, no. 11 (140), pp. 38–41.
Karpova, I., Poryseva, E., Kazakov, G., and Kol’tsova, E., Development of the ontology in nanocomposite materials, Inf. Resur. Ross., 2012, no. 2, pp. 5–9.
Nanotechnology Standards, Nanostructure Science and Technology, Murashov, V. and Howard, J., Eds., New York: Springer, 2011.
de la Iglesia, D., Cachau, R.E., Garcia-Remesal, M., and Maojo, V., Nanoinformatics knowledge infrastructures: Bringing efficient information management to nanomedical research, Comput. Sci. Discovery, 2013, vol. 6, art. 014011.
Klaessig, F., Marrapese, M., and Abe, S., Current perspectives in nanotechnology terminology and nomenclature, in Nanotechnology Standards, Murashov, V. and Howard, J., Eds., New York: Springer, 2011, pp. 21–52.
International Organization of Standardization: Nanotechnologies–Vocabulary, ISO/TS 80004: 2010–2016. http://www.iso.org/obp/ui/#iso:std:iso:ts:80004:-1:ed-1:v1:en.
ISO/TR 11360:2010. Nanotechnologies–Methodology for the Classification and Categorization of Nanomaterials.
Chernozatonskii, L.A., Sheka, E.F., and Artyukh, A.A., Graphene-nanotube structures: Structure and energy of formation, Pis’ma Zh. Eksp. Teor. Fiz., 2009, vol. 89, no. 7, pp. 412–417.
Eletskii, A.V., Endohedral structures, Usp. Fiz. Nauk, 2000, vol. 170, no. 2, pp. 114–142.
ASTM International: E 2456-06 Terminology for Nanotechnology, West Conshohocken: ASTM International, 2008.
EC Scientific Committee on Emerging and Newly Identified Health Risks (SCENIHR), Opinion on the scientific aspects of the existing and proposed definitions relating to products of nanoscience and nanotechnologies, The 21st Scenihr Plenary on November 29, 2007. http://ec.europa.eu/health/archive/ph_risk/committees/04_scenihr/docs/scenihr_o_012.pdf.
Builova, N.M., Yeletskii, A.V., Zitserman, V.Yu., and Kobzev, G.A., The systematization of sources and data on nanotechnologies, Sci. Tech. Inf. Process., 2013, vol. 40, no. 4, pp. 212–223.
Uniform Description System for Materials on the Nanoscale. Prepared by the CODATA-VAMAS Working Group On the Description of Nanomaterials. Version 1.0, February 1, 2015. http://www.codata.org/nanomaterials.
Erkimbayev, A.O., Zitserman, V.Yu., Kobzev, G.A., and Trakhtenherz, M.S., A universal metadata system for the characterization of nanomaterials, Sci. Tech. Inf. Process., 2015, vol. 42, no. 4, pp. 211–222.
Bizer, C., Interlinking scientific data on a global scale, Data Sci. J., 2013, vol. 12, pp. GRDI6–GRDI12.
Erkimbayev, A.O., Zitserman, V.Yu., Kobzev, G.A., Serebrjakov, V.A., and Teymurazov, K.V., Publishing scientific data as linked open data, Sci. Tech. Inf. Process., 2015, vol. 42, no. 4, pp. 253–263.
Degtyarenko, K., de Matos, P., Ennis, M., et al., ChEBI: A database and ontology for chemical entities of biological interest, Nucleic Acids Res., 2008, vol. 36, pp. D344–D350.
Batchelor, C., Ontologies for nanotechnology. #237-Technical Sessions, ACS National Meeting March 22–26, 2009, 2009, Salt Lake City, UT. http://acscinf.org/docs/meetings/237nm/presentations/237nm76.pdf.
Thomas, D.G., Pappu, R.V., Baker, N.A., et al., Nanoparticle ontology for cancer nanotechnology researches, J. Biomed. Inf., 2011, vol. 44, pp. 59–74.
Muñoz-Mármol, M., Crespo, J., Fritts, M.J., and Maojo, V., Towards the taxonomic categorization and recognition of nanoparticles shapes, Nanomed.: Nanotechnol., Biol., Med., 2015, vol. 11, pp. 457–465.
Haiyan Sun, Zhen Xu, and Chao Gao, Multifunctional, ultra-flyweight, synergistically assembled carbon aerogels, Adv. Mater., 2013, vol. 25, pp. 2554–2560.
Hendren, C.O., Powers, C.M., Hoover, M.D., and Harper, S.L., The nanomaterial data curation initiative: A collaborative approach to assessing, evaluating, and advancing the state of the field, Beilstein J. Nanotechnol., 2015, vol. 6, pp. 1752–1762.
Erkimbaev, A.O., Zitserman, V.Yu., Kobzev, G.A., and Kosinov, A.V., Associating the ontologies with databases by properties of substances and materials, Nauchn.-Tekhn. Inform., Ser. 2. Protsessy Sist., 2015, no. 12, pp. 1–16.
Original Russian Text © A.O. Erkimbaev, V.Yu. Zitserman, G.A. Kobzev, M.S. Trakhtengerts, 2016, published in Nauchno-Tekhnicheskaya Informatsiya, Seriya 1: Organizatsiya i Metodika Informatsionnoi Raboty, 2016, No. 10, pp. 1–18.
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Erkimbaev, A.O., Zitserman, V.Y., Kobzev, G.A. et al. Nanoinformatics: Problems, methods, and technologies. Sci. Tech. Inf. Proc. 43, 199–216 (2016). https://doi.org/10.3103/S014768821604002X