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This study reported that the calculated and experimental electronic and vibrational properties of minoxidil were in good agreement, providing detailed insights into its molecular structure and thermal behaviors.

In this study, researchers investigated EGCG's spectroscopic properties and its interaction with DPPG lipid, finding that both experimental and theoretical approaches agree on the electronic transitions and reveal an increased absorbance due to molecular interactions.

This study reports that adjusting the valence states of Mo in Pluronic F127-coated MoO3-x nanozymes enhances their selective H2O2-related catalytic activity, showing promise in acute kidney injury treatment and enabling real-time monitoring of therapy effectiveness through ROS-responsive photoacoustic imaging.

This study investigated the molecular mechanisms behind the formation of drug-polymer inclusion complexes and found that carbamazepine can self-assemble into stable channel structures without guest polymers, unlike griseofulvin, which requires guest molecules for structural stability.

This study used Density Functional Theory to calculate finasteride's molecular properties, finding the GGA/PW91 method aligns well with experimental data and identifying key reactive sites for chemical interactions.