%0 Journal Article %1 WOS:000290746100012 %A Umbuzeiro, G A %A Coluci, V R %A Honorio, J G %A Giro, R %A Morales, D A %A Lage, A S G %A Mazzei, J L %A Felzenszwalb, I %A Filho, A G Souza %A Stefani, D %A Alves, O L %C THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND %D 2011 %I ELSEVIER SCI LTD %J TRAC-TRENDS IN ANALYTICAL CHEMISTRY %K 1-nitropyrene} Carbon Chemical Computational Interaction; Multi-walled Mutagenic Pollutant; Salmonella analysis; assay; carbon modeling; mutagenicity nanotube; pollutant; simulation; {Atomistic %N 3, SI %P 437-446 %R 10.1016/j.trac.2010.11.013 %T Understanding the interaction of multi-walled carbon nanotubes with mutagenic: organic pollutants using computational modeling and biological experiments %V 30 %X Carbon nanotubes (CNTs) are very promising materials to remove pollutants from the environment. To develop safe, efficient technologies, it is necessary to understand the mechanisms of interaction between CNTs and pollutants. This requires innovative, interdisciplinary approaches. Detailed chemical analysis of the CNTs along with computational modeling can provide important information about the mechanisms of interaction. If biological experiments are included in these studies, useful complementary information is obtained. To exemplify the use of this approach, we present a case study in which detailed calculations and the Salmonella mutagenicity assay were applied to elucidate how multi-walled CNTs interact with 1-nitropyrene, an important mutagenic pollutant. (C) 2011 Elsevier Ltd. All rights reserved.

@article{WOS:000290746100012, abstract = {Carbon nanotubes (CNTs) are very promising materials to remove pollutants from the environment. To develop safe, efficient technologies, it is necessary to understand the mechanisms of interaction between CNTs and pollutants. This requires innovative, interdisciplinary approaches. Detailed chemical analysis of the CNTs along with computational modeling can provide important information about the mechanisms of interaction. If biological experiments are included in these studies, useful complementary information is obtained. To exemplify the use of this approach, we present a case study in which detailed calculations and the Salmonella mutagenicity assay were applied to elucidate how multi-walled CNTs interact with 1-nitropyrene, an important mutagenic pollutant. (C) 2011 Elsevier Ltd. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, author = {Umbuzeiro, G A and Coluci, V R and Honorio, J G and Giro, R and Morales, D A and Lage, A S G and Mazzei, J L and Felzenszwalb, I and Filho, A G Souza and Stefani, D and Alves, O L}, biburl = {https://www.bibsonomy.org/bibtex/2bac74a8775860103d65cd416cd4cb15a/ppgfis_ufc_br}, doi = {10.1016/j.trac.2010.11.013}, interhash = {51d2a0b5116c72e9f77b3e13cbf09949}, intrahash = {bac74a8775860103d65cd416cd4cb15a}, issn = {0165-9936}, journal = {TRAC-TRENDS IN ANALYTICAL CHEMISTRY}, keywords = {1-nitropyrene} Carbon Chemical Computational Interaction; Multi-walled Mutagenic Pollutant; Salmonella analysis; assay; carbon modeling; mutagenicity nanotube; pollutant; simulation; {Atomistic}, number = {3, SI}, pages = {437-446}, publisher = {ELSEVIER SCI LTD}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Understanding the interaction of multi-walled carbon nanotubes with mutagenic: organic pollutants using computational modeling and biological experiments}, tppubtype = {article}, volume = 30, year = 2011 }