Online “Library of Properties” Helps To Create Safer Nanomaterials Faster – Californianewstimes.com

Descriptor scale — from entire nanoparticles to unit cells to individual atoms.Credit: University of Birmingham
Researchers have developed a “library of properties” to help identify the environmental impact of nanomaterials faster and more cost-effectively.
Nanomaterials have benefited a wide range of industries and revolutionized daily life, but there are concerns about potential adverse effects such as toxic effects after accumulation in various organs and indirect effects due to the transport of co-pollutants. ..
The NanoSolve IT project, funded by the European Union H2020, is developing an integrated approach to computer-based testing and evaluation (IATA) for environmental health and safety of nanomaterials.
For the past two years University of Birmingham We worked with Nova Mechanics experts in Nicosia, Cyprus to develop a decision support system in the form of both standalone open software and a cloud platform.
The team has developed a free cloud library that contains the complete physics and chemistry properties of 69 nanomaterials and a calculated molecular descriptor to increase the value of available information. Details are published on Nano Impact.
Professor Iceult Lynch of the University of Birmingham commented: A combination for creating larger datasets.
“Making a library of calculated and experimental descriptors available to the community with a detailed explanation of how they were calculated is an important first step in filling this data gap. is.”
Cloud-based nanomaterial library development is the project’s fifth free-to-use web-based application.
Antreas Afantitis of Nova Mechanics commented: “In the last two years, the project has already shown some very impressive results in more than 30 publications, and NanoSolve IT is one of the most active projects in the field of nanomaterial safety and informatics. It has become one. “
Concerns about nanomaterials have also arisen as risk assessment lags behind product development. This is primarily because current approaches to assess exposure, risk, and risk are costly, time consuming, and often involve testing in animal models. The NanoSolveIT project aims to address these challenges.
The latest developments aim to deepen our knowledge of the properties of nanomaterials and the link from properties to (cytotoxic) effects. The enhanced dataset contains over 70 descriptors per nanomaterial.
The dataset is used to develop a computer-based workflow that predicts the effective surface charge (zeta potential) of nanomaterials based on a set of descriptors that help design and manufacture safer and more functional nanomaterials. it was done.
The resulting predictive read-across model is: Web service Through the Horizon 2020 (H2020) NanoCommons project and the H2020 NanoSolve IT Cloud platform To ensure access to the community and interested stakeholders.
In addition, the project consortium is committed to supporting the principles of FAIR data and making the data searchable, accessible, interoperable, and reusable, so a complete dataset ready for further computational modeling. Is available from the NanoPharos database.
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