Oxidative stressOxidative stress reflects an imbalance between the systemic manifestation of reactive oxygen species and a biological system's ability to readily detoxify the reactive intermediates or to repair the resulting damage. Disturbances in the normal redox state of cells can cause toxic effects through the production of peroxides and free radicals that damage all components of the cell, including proteins, lipids, and DNA. Oxidative stress from oxidative metabolism causes base damage, as well as strand breaks in DNA.
Ionic crystalIn chemistry, an ionic crystal is a crystalline form of an ionic compound. They are solids consisting of ions bound together by their electrostatic attraction into a regular lattice. Examples of such crystals are the alkali halides, including potassium fluoride (KF), potassium chloride (KCl), potassium bromide (KBr), potassium iodide (KI), sodium fluoride (NaF). Sodium chloride (NaCl) has a 6:6 co-ordination. The properties of NaCl reflect the strong interactions that exist between the ions.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
