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Article History

Received: 11 August 2025

Accepted: 25 September 2025

First Online: 31 October 2025

Declarations

:

: The authors declare no competing interests.

: This research involves computational modeling and simulation studies using publicly available molecular dynamics datasets and does not involve human participants, animals, or biological materials. All computational work was conducted in accordance with institutional guidelines for responsible use of computational resources at Shenyang University of Chemical Technology. The study utilized open-source software packages and literature-reported experimental data with proper attribution. No specific ethics approval was required for this computational research.