UV Spectra of Glycolic Acid Derivatives – A Time-Dependant Density Functional Theory Examination

Abstract

One of the serious health issues faced by people throughout the world in recent years is Skin cancer, which is caused by harmful UV radiations from the sun. To protect the human skin from direct exposure to these ultraviolet radiations, preventive measures have to be taken and once such solution is the application of suitable and safer sunscreen. It is the need of the hour to develop better and harmless sunscreens to protect the skin. One such material which plays a major role in dermatology and cosmetics industry is Glycolic acid, CH2OHCOOH, a precursor of a-hydroxy carboxylic acids. Our present study is to find out if the glycolic acid conformers and its derivatives are capable of absorbing harmful radiations in the UVB and UVA ranges. To understand this property the UV absorption spectra is calculated using Time dependant density functional theory (TD-DFT). Further, our TDDFT calculations have shown that o-Nitromandelic acid, a glycolic acid derivative shows absorption in both UVB and UVA regions. This indicates that o-Nitromandelic acid can be probably used as a UV filter in sunscreen lotions.