Physical Sciences and Mathematics Commons^™

Investigating Color Additive Molecules For Pharmaceutical And Cosmetic Applications: A Comparison Of Theoretical And Experimental Uv-Visible Absorbance Spectra In Tunable Solvents, Jacqueline Casey Mohen

Theses and Dissertations

Color additive molecules have widespread applications ranging from ingestible foods and pharmaceutics to non-ingestible cosmetics and other naturally or synthetically developed consumer products available worldwide. Certification for approved use of color additives varies globally; therefore, a feasible method to analyze existing color additives or to design novel color additive molecules with enhanced or otherwise desired physicochemical properties (such as hue) is in high demand for universal adoption. The studies herein provide sufficient proof that density functional theory and time-dependent density functional theory serve as effective predictive modeling techniques for generating theoretical maximum absorbance spectral peak responsivity for a single color …