In many applications of multilevel/multiscale methods, an active zone must be modeled by a high-level electronic structure method, while a larger environmental zone can be safely modeled by a lower-level electronic structure method, molecular mechanics, or an analytic potential energy function. In some cases though, the active zone must be redefined as a function of simulation time. Examples in...

Current layered accretion models neglect the properties of the “dead zone”. However, as argued here from simple considerations, the thickness of this zone is a critical quantity when the disc is in hydrostatic equilibrium. It controls not only the structure of the superficial, active layers, but also the mid-plane density and the total disc mass, and should therefore be introduced in models of ...

human milk contains all of the constituents that are required for the optimal growth and development of a neonate. it supports the development of brain, immune, and physiological systems. this study aimed to consider the significance of breast milk in preventing oxidative stress by comparing total antioxidant capacity (tac) in breast and formula milk for premature infants, demonstrating the rel...

abstract introduction: medicinal plants belong to lamiaceae family are potential sources of new drugs to improve the treatment of diseases which its treatment is linked to anti-oxidative agents. in this paper, antioxidant potentials of some lamiaceae species have been evaluated by two methods. methods: phosphomolybdate assay for total antioxidant capacity and ferric reducing antioxidant potenti...

background: infertility is defined as the inability to achieve the pregnancy within a year of unprotected intercourse. infertility is a complex issue and different factors such as stress oxidative can be involved in this problem. so, any attempt to neutralize oxidative stress would be helpful in the treatment of infertility. melatonin is a known scavenger of free radicals. objective: the aim of...

the green synthesis of metallic nanoparticles is an active research area in nanotechnology. in the present study, antioxidant potential, total reducing capacity and silver nanoparticles (ag nps) synthetic potential of methanolic leaf extracts of seven plant species were evaluated and compared. antioxidant capacity, expressed as µmol trolox equivalents g-1 dw (µmol te g-1 dw), ranged from 116.0 ...

Coastal waters are severely threatened by nitrogen (N) loading from direct groundwater discharge. The subterranean estuary, the mixing zone of fresh groundwater and sea water in a coastal aquifer, has a high potential to remove substantial N. A network of piezometers was used to characterize the denitrification capacity and groundwater flow paths in the subterranean estuary below a Rhode Island...

nowadays mobile phone is very popular, causing concern about the effect it has on people's health. parotid salivary glands are in close contact to cell phone while talking with the phone and the possibility of being affected by them. limited studies have evaluated the effect of cell phone use on the secretions of these glands; so this study was designed to investigate the effects of duration of...