Silica is one of the most abundant mineral on Earth. Its importance in science and industry derives from myriad technological uses in a diversity of fields, such as ceramics and glasses, foundry, abrasives and sand blasting, catalysis, in optical fiber communications and many others [1].
Understanding how the properties of silica lead to its health effects is particularly important, because exposures to crystalline silica represent a serious occupational health hazards [2]. Respirable crystalline silica has been associated with increased risk of pulmonary and immune diseases [3] and cancer [4]. Intake of respirable silica particles brings them in contact with tissues, cells, and biomolecules of the lung.
Therefore we test a hypothesis that peroxide species can be formed on quartz's surfaces and they may cause cancer and other deseases. To confirm this assumption the most abundant surfaces of -quartz (1-11), (011), (10-1) has been investigated using the evolutionary algorithms. Peroxide and ozone species was observed on this surfaces. Also stable structures of this surfaces were predicted.
1. Lopes P., Demchuk E., Makerell A.D. Wiley InterScienc, 2008
2. National Institute for Occupational Safety and Health (NIOSH): Hazard Review: Health Effects of Occupational Exposure to Respirable Crystalline Silica. DHHS (NIOSH) PublicationNo. 2002-129, 2002
3. Parks, C. G.; Conrad, K.; Cooper, G. S. Environ Health Perspect 1999, 107, 793
4. International Agency for Research on Cancer (IARC): “Silica, Some Silicates, Coal Dust and para-Aramid Fibrils.” IARC Monographs on the Evaluation of the Carcinogenic Risk of Chemical to Humans. Vol. 68, 1997