A new selenium nanomaterial: structural insights, nonlinear optical properties (DFT study), and biological potential

Area of Science:

• Materials Science
• Medicinal Chemistry
• Nanomedicine

Background:

• Investigation of the double selenate salt Na2Cd(SeO4)2·2H2O for novel material applications.
• Characterization of physicochemical properties including structural, thermal, and colloidal behavior.
• Exploration of biological activity for potential therapeutic uses.

Purpose of the Study:

• To synthesize and characterize Na2Cd(SeO4)2·2H2O.
• To evaluate its thermal stability and decomposition mechanisms.
• To assess its cytotoxic effects on HepG2 liver cancer cells and its potential in nanomedicine.

Main Methods:

• Synthesis and characterization using FT-IR, TGA, DSC, DLS, and zeta potential measurements.
• Quantum chemical calculations (DFT) for electronic structure and NLO properties.
• In vitro cytotoxicity assays (MTT), immunofluorescence, and morphological analysis on HepG2 cells.

Main Results:

• Na2Cd(SeO4)2·2H2O exhibits a multi-stage thermal decomposition pattern.
• The compound demonstrated a dose-dependent cytotoxic effect on HepG2 cells with an IC50 of approximately 0.05 µg/ml.
• High zeta potential indicates good colloidal stability, favorable for bioavailability and nanomedicine.

Conclusions:

• Na2Cd(SeO4)2·2H2O possesses promising physicochemical and biological properties.
• The compound shows significant anticancer potential, warranting further investigation.
• Its characteristics support applications in nanomedicine and drug delivery systems.