Molecular Dynamics Research of Spatial Orientation and Kinetic Energy of Active Site Collision of Carnosine under Weak Microwave Irradiation

Abstract

Overview

The study explores the intricate molecular interactions of carnosine under weak microwave irradiation, focusing on spatial orientation and kinetic energy during active site collisions. Using molecular dynamics simulations, it explores various parameters impacting these interactions.

Findings

• Under constant linear polarization, increasing temperature significantly reduces collision probability, indicating a decrease in microwave polarization effects due to intensified molecular thermal motions.
• Increased microwave intensity amplifies the changes in spatial orientation and kinetic energy, with linear polarization showing stronger effects than circular polarization.
• Higher microwave frequencies reduce the orientation effect, weakening the spatial and kinetic impacts of collisions.
• The study introduces the concept of the microwave postpolarization effect (MWPPE), elucidating a complex dependency on temperature, intensity, frequency, and polarization mode.

Conclusion

This research highlights the significant influence of microwave parameters on carnosine's active site collisions, proposing the MWPPE as a new perspective on the microwave nonthermal effect. These findings could assist in designing better experimental models to investigate the nonthermal effects of microwaves on biological molecules.