Aim of study is to get a further insight on the contribution of the structural features to the radical scavenging potential of shikonin and its ester derivatives. The radical scavenging activity of shikonin and its ester derivatives have been studied by using density functional theory. The hydrogen bond property of the studied structures has been investigated by using the Atoms in Molecules (AI...

Hydrogen atom transfer reactions between the aldose and ketose are key mechanistic features in formose chemistry by which formaldehyde is converted to higher sugars under credible prebiotic conditions. For one of these transformations, we have investigated whether hydrogen tunneling makes a significant contribution to the mechanism by examining the deuterium kinetic isotope effect associated wi...