Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study

Md. Anamul Hoque Md. Masud Alam Mohammad Robel Molla Shahed Rana Malik Abdul Rub Mohammad Halim 1 Mohammed Abdullah Khan Farida Akhtar
1 ILM - Institut Lumière Matière [Villeurbanne]
Abstract : Interaction between beta-lactum antibiotic drug ciprofloxacin hydrochloride (CFH) and cationic surfactant cetyltrimethylammonium bromide (CTAB) was performed conductometrically in aqueous as well as in the occurrence of different salts (NaCl, KCl as well as NH4Cl) over the temperature range of 298.15–323.15 K at the regular interval of 5 K. CFH drug has been suggested for the treatment of bacterial infections such as urinary tract infections and acute sinusitis. A clear critical micelle concentration (CMC) was obtained for pure CTAB as well as (CFH + CTAB) mixed systems. The decrease in CMC values of CTAB caused by the addition of CFH reveals the existence of the interaction between the components and therefore it is the indication of micelle formation at lower concentration of CTAB and their CMC values further decrease in attendance of salts. A nonlinear behavior in the CMC versus T plot was observed in all the cases. The ∆ G0m values are found to be negative in present study systems demonstrated the stability of the solution. The values of ∆ H0m and ∆ S0m reveal the existence of hydrophobic and electrostatic interactions between CFH and CTAB. The thermodynamic properties of transfer for the micellization were also evaluated and discussed in detail. Molecular dynamic simulation disclosed that environment of water and salts have impact on the hydrophobic interaction between CFH and CTAB. In water and salts, CTAB adopts spherical micelle in which charged hydrophilic groups are interacted with waters whereas hydrophobic tails form the core of the micelle. This hydrophobic core region is highly conserved and protected. In addition, micelle formation is more favorable in aqueous NaCl solution than other solutions.
Keywords : Ciprofloxacin hydrochloride Cetyltrimethylammonium bromide Molecular dynamics Hydrophobic interaction Salt effect
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Journal articles
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https://hal-univ-lyon1.archives-ouvertes.fr/hal-02374088
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Submitted on : Thursday, November 21, 2019 - 1:10:37 PM
Last modification on : Friday, November 22, 2019 - 1:38:17 AM

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Md. Anamul Hoque, Md. Masud Alam, Mohammad Robel Molla, Shahed Rana, Malik Abdul Rub, et al.. Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study. Chinese Journal of Chemical Engineering, Elsevier, 2018, 26 (1), pp.159-167. ⟨10.1016/j.cjche.2017.06.016⟩. ⟨hal-02374088⟩

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