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Journal of Environmental Pathology, Toxicology and Oncology

Publication de 4  numéros par an

ISSN Imprimer: 0731-8898

ISSN En ligne: 2162-6537

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 2.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 2.8 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 0.5 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00049 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.59 SJR: 0.429 SNIP: 0.507 CiteScore™:: 3.9 H-Index: 49

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Reactivity of Free Radicals on Hydroxylated Quartz Surface and Its Implications for Pathogenicity of Silicas: Experimental and Quantum Mechanical Study

Volume 20, Numéro Suppl.1, 2001, 14 pages
DOI: 10.1615/JEnvironPatholToxicolOncol.v20.iSuppl.1.110
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RÉSUMÉ

We studied the adsorption of hydroxyl radicals and superoxide anion radicals on a hydroxylated a-quartz surface using cluster and periodic slab models by means of density functional calculations. Models of two hydroxylated a-quartz surfaces—(0001) and (01111)—have been used in the simulations. The hydroxyl radical adsorbs readily on both surfaces. The subsurface Si–O bonds are weakened during the adsorption resulting in surface layer destabilization. This destabilization leads directly to surface disintegration in the case of •OH/(01111) adsorption. The product of the surface disintegration and reconstruction is a surface terminated by silanol groups (Si–OH) and siloxyl radicals (Si–O•). The model calculations suggest that adsorption of •OH on a hydroxylated quartz surface transforms a chemically inert, aged, silanol terminated surface to a very reactive, silicon-based radical terminated surface. The activated surface may then cause oxidative damage to the adsorbed biomaterial. The superoxide anion radical adsorbs on both surfaces, but the adsorption products are only weakly bonded to the surface. The calculated energy barrier for the O2•– activated subsurface Si–O bond dissociation is 10 kcal/mol, which is higher than for the •OH activated process (4 kcal/mol). The calculated weaker bonding to the surface and higher activation energy barrier suggest that the superoxide anion radical will be less efficient in reactivation of an aged, hydroxylated quartz surface than the hydroxyl radical. The importance of the specific geometry of the surface silicon atoms on the surface reactivity and adsorption properties is also discussed. The theoretical predictions are supported experimentally using chemiluminescence to monitor reactivation of the aged silica surface by superoxide anion radicals.

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