Multivitamin complex-loaded electrospun polyvinyl alcohol core/shell structure fibers for transdermal delivery system: In-silico and experimental studies

Transdermal delivery systems offer a controlled and targeted environment for releasing drugs compared to other delivery systems. This study presents the fabrication of polyvinyl alcohol (PVA) fibers with a multivitamin complex (MV) using the electrospinning technique (ES). The research focuses on understanding how various fiber structures, such as core/shell, simple fibers, and ES parameters, affect the MC release mechanism and cell viability behavior. The vitamin complexes were uniformly encapsulated within the polymeric chains in all structure fibers. PVA simple fibers with and without the vitamin complex don't significantly differ in diameter size. However, the core/Shell fiber has a notable decrease in fiber diameter of 45 %. The fiber with a core/shell structure resulted in a slower release rate of the vitamin complex than simple fiber. According to the Korsmeyer-Peppas model, the release mechanism observed in our study for the simple fibers is classical Fickian diffusion. Instead, core/shell fibers indicate a more anomalous or non-Fickian behavior. The structural configurations of the fibers do not result in statistically significant differences in cell viability. This could be attributed to the identical nature of materials used, including the polymer and MV, across all cases. Finally, a computational chemistry study was used to examine the interaction between polyvinyl alcohol (PVA) and vitamins K3 and B3, like a model of MV. The analysis showed four strong hydrogen bonds between PVA and vitamin B3, whereas the interaction between PVA and vitamin K3 only had one hydrogen bond. Furthermore, the PVA and vitamin B3 interaction had higher energy and was more exothermic and spontaneous than the PVA-vitamin K3 interaction. On the other hand, the PVA-vitamin K4 interaction displayed higher reactivity due to its lower separation energy. In contrast, the PVA-vitamin B3 interaction was more stable.