Water-mediated cytosine self-assembly in infrared perspective

Area of Science:

• Biochemistry
• Chemical Physics
• Nanoscience

Background:

• Self-assembly is vital for biomolecular functions and allosteric regulation.
• Water molecules significantly impact biomolecular self-assembly processes.
• Cytosine (Cyt) exhibits strong self-assembly via hydrogen bonds, forming ordered structures in water, but water's role in its vibrational dynamics remains unclear.

Purpose of the Study:

• To investigate the vibrational characteristics and interaction mechanisms of water-mediated cytosine self-assembly.
• To elucidate how water molecules influence the self-assembly and reverse processes of cytosine.
• To explore the effects of water-induced self-assembly on the vibrational modes of cytosine.

Main Methods:

• Utilized infrared spectroscopy techniques to analyze vibrational properties.
• Employed density functional theory (DFT) calculations for theoretical insights.
• Investigated both the self-assembly and reverse processes of cytosine in the presence of water.

Main Results:

• Water molecules differentially affect various vibrational modes of cytosine during self-assembly.
• Established a clearer understanding of the interaction mechanism between water and cytosine during self-assembly.
• Demonstrated the utility of multi-view infrared spectroscopy for in situ biomolecular characterization.

Conclusions:

• Water molecules play a critical role in modulating the vibrational dynamics of cytosine self-assembly.
• Multi-view infrared spectroscopy is a powerful technique for studying biomolecules in their native states.
• This research enhances the understanding and potential applications of nucleic acid-based biological nanostructures.