화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korean Journal of Chemical Engineering, Vol.39, No.3, 664-673, March, 2022
DOI10.1007/s11814-021-0924-z  Export Citation
UV-Visible spectroscopic and DFT studies of the binding of ciprofloxacinhydrochloride antibiotic drug with metal ions at numerous temperatures
Mohammed Ashraf Uddin1, Bupasha Hekim Sutonu1, Malik Abdul Rub2, 3, †, Shamim Mahbub4, Maha Moteb Alotaibi3, Abdullah M. Asiri2, 3, Shahed Rana1, Md. Anamul Hoque1, and Mahbub Kabir1
  • 1Department of Chemistry, Jahangirnagar University, Savar, Dhaka-1342, Bangladesh
  • 2Center of Excellence for Advanced Materials Research, King Abdulaziz University, Jeddah-21589, Saudi Arabia
  • 3Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah-21589, Saudi Arabia
  • 4Department of Chemistry & Physics, Gono Bishwabidyalay, Savar, Dhaka-1344, Bangladesh
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Ciprofloxacin hydrochloride (CPFH) is a very common antibiotic drug for the treatment of different types of bacterial infections. The activity of the drug depends on the complexation of the employed drug with different metals present in the body. In the current investigation, the complexation behavior of CPFH drug with numerous metal ions was explored by means of UV-Visible spectroscopic and density functional theory (DFT) techniques at various temperatures. The binding constants (Kf) of CPFH+metal ions complexes were determined from the Benesi-Hildebrand equation. The Kf values experience an alteration with the nature of metal ions employed and the change of temperature. The binding of CPFH with alkali earth metals decreases with the increase of metal size and increases with the increase of temperature, while the opposite effect of temperature was observed for transition metals. The Gibbs free energy of binding (ΔGo) for the complexation between CPFH and metal ions was negative in all cases, which reveals that the complexation phenomenon is spontaneous. The values of enthalpy and entropy connote the presence of both hydrophobic and electrostatic interactions. The complexation of CPFH was observed to be endothermic in the case of alkali earth metals while exothermic for transition metals. The intrinsic enthalpy gain (ΔHo, *) values signify the higher stability of metal-drug complexes. The compensation temperature (TC) values were found to be comparable to the biological systems. DFT studies show the formulation of 1 : 1 complexes with transition metals as well as the square planar geometry of the complexes. HOMO and LUMO analyses reveal that the stability of CPFH-Ni complexes is higher than that of CPFH-Co/CPFH-Zn complexes.
Keywords:Ciprofloxacin Hydrochloride;Metal Ion;Binding Constant;DFT Studies;Complexation
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