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

• Grant number: 17/19599-0
• Support Opportunities: Scholarships abroad - Research
• Start date: August 01, 2018
• End date: July 31, 2019
• Field of knowledge: Biological Sciences - Genetics - Mutagenesis
• Principal Investigator: Gisela de Aragão Umbuzeiro
• Grantee: Gisela de Aragão Umbuzeiro
• Host Investigator: Harold Stanley Freeman
• Host Institution: Faculdade de Tecnologia (FT). Universidade Estadual de Campinas (UNICAMP). Limeira , SP, Brazil
• Institution abroad: 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)

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. (17/19599-0)

UMBUZEIRO, GISELA DE A.; ALBUQUERQUE, ANJAINA F.; VACCHI, FRANCINE, I; 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, p. 11-pg., 2019-12-01. (17/19599-0)