Detection of Phenylalanine by Iridium Nanoclusters Using Time-Dependent Density Functional Theory Calculations

Area of Science:

• Nanomaterials Science
• Spectroscopy
• Biochemistry

Background:

• Metal nanoclusters, particularly iridium (Ir) nanoclusters, show promise in various applications including medicine and catalysis.
• Iridium nanoclusters offer enhanced detection capabilities compared to bulk iridium materials.

Purpose of the Study:

• To investigate the interaction between four-atom iridium nanoclusters (Ir4) and amino acids.
• To analyze the resulting iridium-amino acid (Ir-AAc) complexes.
• To explore the potential of UV-visible spectroscopy for detecting amino acids using Ir4 nanoclusters.

Main Methods:

• UV-visible spectroscopy was employed to study Ir4 nanoclusters, individual amino acids, and their complexes.
• Computational analysis was performed to understand spectral changes and electronic transitions.

Main Results:

• Phenylalanine (Phe) exhibits a UV-visible peak at 204 nm.
• The Ir4-phenylalanine (Ir-Phe) complex shows a distinct new peak at 661 nm, attributed to a specific electronic transition (HOMO-1 to LUMO+3).
• No significant UV-visible peaks were observed for other Ir-amino acid complexes.

Conclusions:

• The Ir4 nanocluster can be utilized as a sensor for detecting phenylalanine.
• UV-visible spectroscopy provides a viable method for identifying phenylalanine in the presence of Ir4 nanoclusters.