Abstract: Nanoparticles (NPs) have shown promising capabilities for water treatment through various mechanisms, including the generation and modulation of Reactive Oxygen Species (ROS), as well as utilizing photosensitization and photocatalysis. Photosensitization can enhance the efficiency of ROS generation and pollutant degradation in water. When irradiated with light of an appropriate wavelength, the nanoparticles absorb photons and transfer their energy to nearby oxygen molecules, generating ROS. The ROS produced during photocatalysis can also degrade organic pollutants, break down microbial pathogens, and remove heavy metals from water. The advantages of using nanoparticles for water treatment include their high surface area-to-volume ratio, tunable properties, and ability to tarStudy on Nanoparticles for Water Purification: Stereo-chemical and Thermo-dynamical Properties of the Organic Compounds Claire Ryu get specific contaminants. This research studied the more prevalent use of organic nanoparticles for water purification. This study focused especially on the use of porphyrins and phthalocyanines, as their surface modifications for the adsorption behavior are easier and applicable in a wide range of applications. Various analogs of porphyrins and phthalocyanines were modeled and assessed for their three properties, such as Enthalpy(kJ/mol), Dipole Moment(DM, Debye), and Electrostatic potential maps(EPMs), which show their activities of stability of the molecules.

References

1. Silvestri, S., Fajardo, A. R., & Iglesias, B. A. (2022). Supported Porphyrins for the Photocatalytic Degradation of Organic Contaminants in Water: A Review. Environmental Chemistry Letters, 20, 731–771.
2. Ndlovu, K. S., et al. (2023). Porphyrins Developed for Photoinactivation of Microbes in Wastewater. Environmental Science and Pollution Research, 30, 11210–11225.
3. De, S., Devic, T., & Fateeva, A. (2021). Porphyrin and Phthalocyanine-Based Metal Organic Frameworks Beyond Metal-Carboxylates. Dalton Transactions, 50(4), 1321–1348.
4. Silvestri, S., et al. (2020). Recent Advances in Porphyrin-Based Inorganic Nanoparticles for Photodynamic Therapy. International Journal of Molecular Sciences, 21(9), Article 3358.
5. Li, S., et al. (2019). Gold Nanorod Enhanced Conjugated Polymer/Photosensitizer Composite Nanoparticles for Simultaneous Two-Photon Excitation Fluorescence Imaging and Photodynamic Therapy. Nanoscale, 11(42), 20116–20125.
6. Nomula, R., et al. (2017). Photodynamic Effect of Light-Harvesting, Long-Lived Triplet Excited State Ruthenium(II)-Polyimine-Coumarin Complexes: DNA Binding, Photocleavage and Anticancer Studies. Materials Science and Engineering: C, 81, 1–10.
7. Zhou, N., et al. (2015). Plasmon-Enhanced Light Harvesting: Applications in Enhanced Photocatalysis, Photodynamic Therapy and Photovoltaics. RSC Advances, 5(93), 29076–29097.
8. Takata, T., & Domen, K. (2017). Development of Non-Oxide Semiconductors as Light Harvesting Materials in Photocatalytic and Photoelectrochemical Water Splitting. Dalton Transactions, 46(4), 10529–10544.
9. Häse, F., et al. (2020). Designing and Understanding Light-Harvesting Devices with Machine Learning. Nature Communications, 11, Article 4587.
10. Han, D., et al. (2020). Sequentially Amplified Circularly Polarized Ultraviolet Luminescence for Enantioselective Photopolymerization. Nature Communications, 11, Article 5657.