1. Contribution of Mn2+ and Fe3+ addition to natural hydroxyapatite (HAp) in UV absorption for sunscreen application.
- Author
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Ghazali, Saidatul Radhiah, Roziani, Mohd Zulhelmi, Rahmatullah, Rafizah, Sapari, Suhaila, and Razak, Fazira I. Abdul
- Subjects
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ENERGY bands , *ELECTRONIC structure , *METAL ions , *BAND gaps , *HYDROXYL group - Abstract
The increasing concern over the adverse effects of ultraviolet (UV) radiation on human well-being has driven extensive research attempts with the aim of creating effective sunscreen compositions. The biocompatible and biodegradable mineral known as natural hydroxyapatite (HAp) has received significant interest as a potential UV absorber, due to its exceptional photoprotective characteristics. To strengthen the UV absorption properties of HAp and enhance its efficacy as a sunscreen agent, this research venture explores the novel effects of incorporating Mn2+ and Fe3+ into HAp. These metallic ions exhibit excellent photostability, ensuring the effectiveness of their UV protection efficacy and minimal toxicity. The cream, which is manufactured with a hybrid complex, has been tested by spectroscopic analysis. The FTIR spectra of the HAp with metal ions exhibited shifts in the wavelength range of 3626-3630 cm−1, indicating a potential interaction between the metal ions and the hydroxyl group (v OH). In the context of UV-vis examination, it is observed that HAp-Mn2+ exhibits a comparatively higher absorption value of 2.32. This can be attributed to its distinctive electronic structure, characterised by five unpaired d-electrons. The presence of these unpaired electrons enables HAp-Mn2+ to effectively absorb and dissipate UV light. The analyses mentioned above are supported by the utilisation of the theoretical quantum chemical B3LYP approach with a basis set of 6- 11++G(d,p). This technique reveals that the HOMO LUMO energy band gap of HAp-Mn2+ displays the lowest value, indicating its strong light absorption capability. This observation is further confirmed by the SPF calculation, which indicates that HAp- Mn2+ exhibits the greatest SPF value of 22.41. [ABSTRACT FROM AUTHOR]
- Published
- 2025
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