This computational and experimental work aims to elucidate physicochemical and
photophysical natures of free radical scavenging and ultraviolet radiation (UVR) filtering …

Antioxidative properties of naturally occurring isoflavonoids calycosin, glycitein, pratensein,
prunetin and their radicals were investigated through density functional theory (DFT) method …

Flavonoids are natural compounds with antioxidant properties that have positive effects on
human health, which reduce toxic effects of reactive oxygen species (ROS) and partially …

The growing awareness of the harmful effects of ultraviolet (UV) solar radiation has
increased the production and consumption of sunscreen products, which contain organic …

UV radiations can cause several irritations to the skin like sunburn, photo aging and even
skin cancer. Sunscreens are widely used to protect the skin against these harmful radiations …

The monomeric flavan-3-ols, namely (+) catechin (CT) and (−) epicatechin (ECT), are two
important antioxidants available in nature. Density functional theory method has been used …

The scavenging mechanism of thiamine (or vitamin B1) towards HO• and HOO• radicals has
been revisited using density functional theory (DFT) at the M05‐2X/6‐311++ G (d, p) level of …

Reactive oxygen (hydroxyl radical dotOH, hydroperoxyl radical dotOOH) species are highly
unstable to be studied experimentally under normal conditions. The present study reports …

Gadusol shows one of the simplest structures among a series of natural UV‐absorbing
compounds that have been related to the photoprotective and antioxidant functions in …

The potent antioxidant activity of flavonoids relevant to their ability to scavenge reactive
oxygen species is the most important function of flavonoids. Density functional theory …