Encapsulation of Ferulic Acid in Lipid Nanoparticles as Antioxidant for Skin: Mechanistic Understanding through Experiment and Molecular Simulation

Abstract

Ferulic acid, though used in formulations of skin-care and cosmetic products, suffers from the problems of poor stability and low aqueous solubility. Encapsulation into nanoparticles can be a viable route to overcome these inherent problems. In this proof-of-concept, we combine experimental studies and molecular dynamics (MD) simulations to provide insights into the underlying formation mechanism of ferulic acid-loaded lipid based nanoemulsion and nanoparticle formulations in aqueous environment. This experimental-cum-simulation study provides molecular-level understanding into lipid-active nanoparticle systems and would assist with the design and optimization of formulation systems for skin-care/ cosmetic/pharmaceutical applications. The examined lipid is Gelucire 50/13, which is selected due to higher solubility of ferulic acid in molten Gelucire 50/13 compared to other tested lipids. Experimental results show the successful formation of nanoemulsion and subsequently nanoparticle in water with 0.5 wt % ferulic acid. While providing useful insights into structural, energetic, and dynamical properties of nanoemulsion/nanoparticle, MD simulations demonstrate that ferulic acid molecules are present at the surface layer of the nanoparticle whereas hydrophobic parts of lipid molecules exist in the core and hydrophilic parts at the surface of the nanoparticle. The nanoemulsion is originated by quick assembly of lipid molecules into many small nuclei which latter aggregate into larger clusters of spherical shape. During cooling, the shape and size of the nanoparticle are found to be unchanged, but dynamics/mobility of the nanoparticle as well as ferulic acid reduced significantly due to solidification. Additionally, higher concentrations of ferulic acid (1 or 5 wt %) lead to either the existence of unencapsulated ferulic acid in bulk or the destabilization of the nanoparticle structure, validated by experiments. Hence, the optimal concentration of ferulic acid for successful formation of nanoparticle is 0.5 wt %. Ferulic acid loaded nanoparticle can be useful for skin-care/cosmetics products.

Effects of Dietary Ferulic Acid on the Intestinal Microbiota and the Associated Changes on the Growth Performance, Serum Cytokine Profile, and Intestinal Morphology in Ducks

“…Previous researchers stated that FA possessed multiple bioactivities, such as anti-bacteria ( Daglia, 2012 ), antioxidant ( Mahmoud et al, 2020 ), anti-inflammatory ( Lampiasi and Montana, 2016 ), anti-obesity ( Wang et al, 2015 ), anti-tumor ( Jinhua et al, 2018 ), and regulation of blood circulation ( Zhou et al, 2017 ). Currently, FA was widely used in industries such as food preservation ( Ou et al, 2005 ), cosmetics production ( Gupta et al, 2020 ), and medication ( Wang W. M. et al, 2018 ). A few studies demonstrated the antioxidative and growth promotional functions of FA and its derivatives in livestock, as supplement in the feed ( Li et al, 2015 ; González-Ríos et al, 2016 ; Wang et al, 2019 ), but none referred to ducks.…”

Stabilization of ferulic acid in topical gel formulation via nanoencapsulation and pH optimization

“…The hot nanodispersion was collected and placed on an ice bath to cool down rapidly. In a recent study, we investigated this nanoencapsulated system at molecular-level, which showed successful encapsulation of ferulic acid in the nanocapsules composed of Gelucire 50/13 39 .…”

Nanoantioxidants: Pioneer Types, Advantages, Limitations, and Future Insights

“…Several studies have shown that some antioxidants, such as lycopene [215], quercetin [216], curcumin [217], and astaxanthin [218] can be successfully loaded onto NLCs. Other studies revealed the successful encapsulation of resveratrol [219], idebenone [220], ferulic acid [221], and curcumin [222] on SLNs. Some of the most common techniques applied for the synthesis of SLNs and NLCs are presented in Figure 9 [209].…”