Conductometric, Spectrophotometric and Computational Investigation of Binary and Ternary Complexes of Co(II) and Cu(II) Bivalent Metal Ions with L-Valine Amino Acid and Paracetamol Drug

Authors : Aisha ALABBSİ, Mohamed ZİDAN, Nouria SHNİN, Bakr ALDOORİ

Pages : 703-718

Doi:10.18596/jotcsa.1275299

View : 45 | Download : 77

Publication Date : 2023-08-30

Article Type : Research Paper

Abstract :The conductivity and spectrophotometry techniques were employed to evaluate the binary and ternary complexes of the divalent metal ions Coinsert ignore into journalissuearticles values(II); and Cuinsert ignore into journalissuearticles values(II); with the physiologically relevant amino acid L-Valine insert ignore into journalissuearticles values(Val); and the analgesic paracetamol. The conductivity experiments were generated by direct conductivity equation from conductivity titration data, while the spectrophotometry experiments were performed using the continuous variations approach insert ignore into journalissuearticles values(Job\`s method);. Both techniques were accomplished in an aqueous solution with a constant concentration of 0.004 M of divalent metal ions at insert ignore into journalissuearticles values(40.0 ± 0.1); °C. The binary complexes of Coinsert ignore into journalissuearticles values(II); and Cuinsert ignore into journalissuearticles values(II); have a 1:1 binding ratio of metal to paracetamol insert ignore into journalissuearticles values(M:para);. However, the binary complexes of Coinsert ignore into journalissuearticles values(II); and Cuinsert ignore into journalissuearticles values(II); have metal: Val binding ratios of either 1:1 or 2:1. In addition, the Cuinsert ignore into journalissuearticles values(II); binary complexes of both ligands have a higher stability constant than Coinsert ignore into journalissuearticles values(II); binary complexes of paracetamol and Val ligands, which was in good agreement with the Rossotti-Willime order. The ternary complexes of Coinsert ignore into journalissuearticles values(II); and Cuinsert ignore into journalissuearticles values(II); have a 1:1:1 binding ratio of metal to paracetamol: L-valine, insert ignore into journalissuearticles values(M:para:Val);. The stability constants were in order: The ternary metal complexes > The binary metal-L-Val complexes > The binary metal-para complexes. DFT insert ignore into journalissuearticles values(Density Functional Theory); simulations were used in order to gain a better understanding of the molecular interactions of Coinsert ignore into journalissuearticles values(II); and Cuinsert ignore into journalissuearticles values(II); divalent metal ions with L-Val and paracetamol. Calculations were made on the electronic structure, HOMOs and LUMOs, and molecular geometry of complexes and their corresponding ligands. The findings unequivocally demonstrate that the metal ion is bound to both the amide nitrogen in the paracetamol ligand and the oxygen atom of the carbonyl group. Moreover, the metal ion is bound to the nitrogen atom of the amine NH2 group and the oxygen atom of the hydroxyl group for the L-Val ligand.
Keywords : binary complexes, ternary complexes, conductometry, spectrophotometry, L valine, paracetamol, stability constant