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Construction of reliable prediction models for mutagenicity and aquatic toxicity of dyes: application to the Max Weaver Library

Grant number: 17/19599-0
Support type:Scholarships abroad - Research
Effective date (Start): August 01, 2018
Effective date (End): July 31, 2019
Field of knowledge:Biological Sciences - Genetics - Mutagenesis
Principal researcher:Gisela de Aragão Umbuzeiro
Grantee:Gisela de Aragão Umbuzeiro
Host: Harold Stanley Freeman
Home Institution: Faculdade de Tecnologia (FT). Universidade Estadual de Campinas (UNICAMP). Limeira , SP, Brazil
Research place: North Carolina State University (NC State), United States  

Abstract

Dyes are present in all colored products but they have been one of the chemical classes less studied in the toxicological point of view. Dyes are classified based on their molecular structure (e.g. azo, anthraquinone, nitro) or application (e.g., textiles, food drugs, and cosmetics, photography, hair, lasers). Recently a huge dye library was donated by Eastman Chemical containing around 98,000 vials of custom made dyes, to the College of Textiles at NCSU, named as Max Weaver Library. A key goal of this donation was to share the library with chemists worldwide, because it offers a great opportunity for uses such as drug discovery, new sensitizers for solar cells, hair coloring and cosmetics and textiles. For all applications the characterization of their mutagenicity and aquatic toxicity will be required in the process of future registration. With that in mind this project has the objective of developing reliable ways of predicting the mutagenicity and ecotoxicity. The tier methodological approach includes a series of computational predictions and generation of empirical data to culminate with reliable and accurate predictions models for mutagenicity and ecotoxicity of the dyes of the Max Weaver Library. We anticipate they will be very useful to facilitate the future applications of those compounds including knowledge for their sustainable use around the world. This approach will also help to reduce the use of laboratory animals according with the 3R principle (Replacement, Reduction and Refinement). Also this project will provide access to this important library besides facilitate the collaboration of the College of Textiles from NCSU and the Faculty of Technology from UNICAMP. (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
UMBUZEIRO, GISELA DE A.; ALBUQUERQUE, ANJAINA F.; VACCHI, I, FRANCINE; SZYMCZYK, MALGORZATA; SUI, XINYI; AALIZADEH, REZA; VON DER OHE, PETER C.; THOMAIDIS, NIKOLAOS S.; VINUEZA, NELSON R.; FREEMAN, HAROLD S. Towards a reliable prediction of the aquatic toxicity of dyes. ENVIRONMENTAL SCIENCES EUROPE, v. 31, n. 1 DEC 2019. Web of Science Citations: 0.

Please report errors in scientific publications list by writing to: cdi@fapesp.br.