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Computational Studies of Rubber Ozonation Explain the Effectiveness of 6PPD as an Antidegradant and the Mechanism of Its Quinone Formation
[Image: see text] The discovery that the commercial rubber antidegradant 6PPD reacts with ozone (O(3)) to produce a highly toxic quinone (6PPDQ) spurred a significant research effort into nontoxic alternatives. This work has been hampered by lack of a detailed understanding of the mechanism of prote...
Autores principales: | Rossomme, Elliot, Hart-Cooper, William M., Orts, William J., McMahan, Colleen M., Head-Gordon, Martin |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10079164/ https://www.ncbi.nlm.nih.gov/pubmed/36961979 http://dx.doi.org/10.1021/acs.est.2c08717 |
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