Working Group Chair: Iseult Lynch
Working Group Members: Iseult Lynch; Antreas Afantitis; Thomas Exner; Fred Klaessig; Nikolay Kochev; Martin Himly; Gergana Tancheva; Jaleesia Amos; Mark Wiesner; Egon Willighagen; Alex Clarke; Gerd Blanke; Jonathan Goodman; Vladimir Lobaskin; John Rumble; Georgia Melagraki; Tassos Papadiamantsis; Harry Sarimveis; Dieter Maier; Effie Marcoulaki; Kostas Blekos; Steve Heller; Clyde Daly; Michael Schwartz; Nikki Davis; Diego Martinez; Nikolaos Nikoloudakis; Ioannis Xiarchos
This project proposes to encode information (composition, size, shape and surface chemistry) required to unambiguously identify a specific nanomaterial/nanoform as an extension of the IUPAC International Chemical Identifier that we term a NInChI. As nanomaterials are particulates, there is an intimate relationship between the core and surface compositions that challenges traditional naming conventions, thereby limiting information exchange among scientists, computational modelers, regulatory agencies and industry. Leveraging leverage best practices with other InChI working groups e.g. Mixture InChI, Reaction InChI & Polymer InChI is planned.
The Working Group has submitted a proposal to the InChI subcommittee for review.
The Working Group members are:
Thomas Exner – Seven Past Nine
Frederick Klassig – Pennsylvania Bio Nano Systems LLC
Antreas Afantitis – Novamechanics Ltd.
Georgia Melagraki – Novamechanics Ltd.
Martin Himly – Department of Biosciences,
Paris Lodron University of Salzburg
Vladimir Lobaskin – School of Physics, University College Dublin, Belfield,
John Rumble – R&R Data Services
Haralambos Sarimveis – School of Chemical Engineering, National Technical University of Athens
Effie Marcoulaki – Institute of Nuclear & Radiological Sciences & Technology, Energy & Safety
National Centre for Scientific Research
Nikolay Kochev – Department of Analytical Chemistry and Computer Chemistry, University of Plovdiv
Mark Wiesner – Pratt School of Engineering, Duke University,
Egon Willighagen – Department of Bioinformatics Maastrict Univeristy
Dieter Maier – Biomax Informatics AG
Diego Martinez – CNPEM – National Center for Research in Energy and Materials
Polo II de Alta Tecnologia –
Alex Clarke – Collaborative Drug Discovery
Gerd Blanke – StructurePendium Technologies GmbH
Yusuf Hamied – Department of Chemistry
Clyde Daly – Department of Chemistry Haverford College
Michael Schwartz – Department of Chemistry U of Wisconsin
José Medina-Franco – School of Chemistry, U Nacional Autónoma de México (UNAM)
Anastasios Papadiamantis School of Geography, Earth and Environmental Sciences, U of Birmingham