Synthesis, Spectral Characterization, and Photocatalytic Application of Metallo-phthalocyanines Bearing Schiff Base Moieties for Dye-Contaminated Wastewater Remediation and ADMET-Based Evaluation of Their Potential as Therapeutic Agents
Keywords:
Metallo phthalocyanines, Schiff base, photocatalytic oxidation, Congo Red degradation, water remediationAbstract
Background: Industrial dyes are persistent pollutants that resist conventional treatment and pose environmental risks. ADMET analysis is a valuable computational approach for predicting the pharmacokinetic and safety profiles of newly synthesized compounds.
Objective: The purpose of the present study was to synthesize and characterize novel metal-free and Metallo phthalocyanine complexes containing Schiff base moieties, evaluate their visible-light photocatalytic activity, and predict their ADMET properties.
Methodology: This experimental study was conducted at the Department of Chemistry at College of Science, University of Babylon, Iraq from September 2025 to May 2026. Phthalocyanine complexes were prepared for medical purposes. The synthesized compounds were characterized by FT-IR, UV-Vis, 1H-NMR, and 13C-NMR. Their photocatalytic activity was evaluated using Congo Red and Methylene Blue dyes, while ADMET analysis was used to predict their pharmacokinetic and toxicity profiles.
Results: The synthesized complexes exhibited characteristic phthalocyanine absorption bands with optical band gaps of 1.63 to 1.69 eV. The Fe (II) complex showed the highest photocatalytic activity, achieving 70.6% Congo Red degradation within 60 min. Catalyst dosage enhanced degradation efficiency, whereas higher dye concentration reduced it. ADMET analysis indicated favorable pharmacokinetic behavior and predicted safety, supporting the pharmaceutical potential of the synthesized compounds.
Conclusion: The synthesized metallophthalocyanine complexes demonstrated promising visible-light photocatalytic performance, particularly the Fe (II) complex, together with encouraging predicted ADMET properties, highlighting their potential for both wastewater treatment and future pharmaceutical applications.
Bangladesh Journal of Infectious Diseases, June 2026;13(1): 235-244
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Copyright (c) 2026 Mays Saeed Obied, Mohanad Mousa Kareem, Ahmed F. Halbus
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