Mathematical modeling and experimental analysis of the efficacy of photodynamic therapy in conjunction with photo thermal therapy and PEG-coated Au-doped TiO2 nanostructures to target MCF-7 cancerous cells

Seemab Iqbal; M Fakhar-E-Alam; K S Alimgeer; M Atif; Atif Hanif; Nafeesah Yaqub; W A Farooq; Shafiq Ahmad; Yu-Ming Chu; Muhammad Suleman Rana; Amanullah Fatehmulla; Hijaz Ahmad

doi:10.1016/j.sjbs.2020.11.086

Mathematical modeling and experimental analysis of the efficacy of photodynamic therapy in conjunction with photo thermal therapy and PEG-coated Au-doped TiO₂ nanostructures to target MCF-7 cancerous cells

Saudi J Biol Sci. 2021 Feb;28(2):1226-1232. doi: 10.1016/j.sjbs.2020.11.086. Epub 2020 Dec 8.

Authors

Seemab Iqbal¹, M Fakhar-E-Alam¹, K S Alimgeer², M Atif³, Atif Hanif⁴, Nafeesah Yaqub³, W A Farooq³, Shafiq Ahmad⁵, Yu-Ming Chu^{6

7}, Muhammad Suleman Rana⁸, Amanullah Fatehmulla³, Hijaz Ahmad^{9

10}

Affiliations

¹ Department of Physics Govt. College University, 38000, Faisalabad, Pakistan.
² Department of Electrical and Computer Engineering, COMSATS University, Islamabad, Islamabad campus, Pakistan.
³ Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
⁴ Botany and Microbiology Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
⁵ Industrial Engineering Department, College of Engineering, King Saud University, P.O. Box 800, Riyadh 11421, Saudi Arabia.
⁶ Department of Mathematics, Huzhou University, Huzhou 313000, China.
⁷ Hunan Provincial Key Laboratory of Mathematical Modeling and Analysis in Engineering, Changasha, University of Science & Technology, Changsha 410114, China.
⁸ National Institute of Health, Islamabad, Pakistan.
⁹ Department of Basic Sciences, University of Engineering and Technology, Peshawar 25000, Pakistan.
¹⁰ Section of Mathematics, International Telematic University Uninettuno, Corso Vittorio Emanuele II, 39, 00186 Roma, Italy.

Abstract

Some nanoscale morphologies of titanium oxide nanostructures blend with gold nanoparticles and act as satellites and targeted weapon methodologies in biomedical applications. Simultaneously, titanium oxide can play an important role when combined with gold after blending with polyethylene glycol (PEG). Our experimental approach is novel with respect to the plasmonic role of metal nanoparticles as an efficient PDT drug. The current experimental strategy floats the comprehensive and facile way of experimental strategy on the critical influence that titanium with gold nanoparticles used as novel photosensitizing agents after significant biodistribution of proposed nanostructures toward targeted site. In addition, different morphologies of PEG-coated Au-doped titanium nanostructures were shown to provide various therapeutic effects due to a wide range of electromagnetic field development. This confirms a significantly amplified population of hot electron generation adjacent to the interface between Au and TiO₂ nanostructures, leading to maximum cancerous cell injury in the MCF-7 cell line. The experimental results were confirmed by applying a least squares fit math model which verified our results with 99% goodness of fit. These results can pave the way for comprehensive rational designs for satisfactory response of performance phototherapeutic model mechanisms along with new horizons of photothermal therapy (HET) and photodynamic therapy (HET) operating under visible and near-infrared (NIR) light.

Keywords: MCF-7 cancerous cells; NRA, Neutral red assay; PEG, Polyethylene glycol; PEG-coated Au-doped Titanium oxide (TiO2) nanostructures; Photodynamic therapy (PDT); Photothermal therapy/(HET); RMSE, Root mean square error; SPR, Surface plasmon resonance; TEM, Transmission electron microscope.