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 A. Halim; Mohammed Abdullah Khan; Farida Akhtar

doi:10.1016/j.cjche.2017.06.016

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

Chemical Engineering Thermodynamics | Updated：2026-01-06

- Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study
- Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study
- 中国化学工程学报（英文版） 2018年26卷第1期页码：159-167
- Affiliations：
  
  1. 2 Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia
  2. 3 Center of Excellence for Advanced Materials Research, King Abdulaziz University, Jeddah 21589, Saudi Arabia
  3. 4 Division of Quantum Chemistry, BICCB, The Red-Green Computing Centre, 218 Elephant Road,Dhaka,Bangladesh,1205
  4. 5 Institut Lumière Matière, Université Lyon 1-CNRS, Université de Lyon, Villeurbanne Cedex,France,69622
- Author bio：
- Funds：
- DOI：10.1016/j.cjche.2017.06.016
  中图分类号：
- 纸质出版：2018
- Accepted：
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Md. Anamul Hoque, Md. Masud Alam, Mohammad Robel Molla, 等. Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study[J]. 中国化学工程学报（英文版）, 2018,26(1):159-167.

Md. Anamul Hoque, Md. Masud Alam, Mohammad Robel Molla, Shahed Rana, Malik Abdul Rub, Mohammad A. Halim, Mohammed Abdullah Khan, Farida Akhtar. Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study[J]. Chin.J.Chem.Eng., 2018, 26(1): 159-167.
Md. Anamul Hoque, Md. Masud Alam, Mohammad Robel Molla, 等. Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study[J]. 中国化学工程学报（英文版）, 2018,26(1):159-167. DOI： 10.1016/j.cjche.2017.06.016.

Md. Anamul Hoque, Md. Masud Alam, Mohammad Robel Molla, Shahed Rana, Malik Abdul Rub, Mohammad A. Halim, Mohammed Abdullah Khan, Farida Akhtar. Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study[J]. Chin.J.Chem.Eng., 2018, 26(1): 159-167. DOI： 10.1016/j.cjche.2017.06.016.

摘要

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 NH

Cl) 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 ΔG

values are found to be negative in present study systems demonstrated the stability of the solution. The values of ΔH

and ΔS

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.

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