A simulation study of self-assembly behaviors and micellization properties of mixed ionic surfactants

Sachin, K.M.; Karpe, Sameer A.; Kumar, Dileep; Singh, Man; Domínguez, Héctor; Ríos‐López, Marlene; Bhattarai, Ajaya

doi:10.1016/j.molliq.2021.116003

Cited by 22 publications

(6 citation statements)

References 101 publications

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“…As compared with singular surfactant micelle formation, the mixed surfactants have substantial considerable properties in a variety of features [ 3 ]. Usually, a mixed surfactants system (ionic amphiphile with other ionic or nonionic amphiphiles) has smaller surface energy, higher solubilization capability, and smaller cmc along with higher surface activities as compared to the singular surfactants because of the attractive interaction/synergetic influence [ 3 , 8 ]. To diagnose osteoarthritis, Yin et al [ 9 ] have made significant progress in eliminating major hurdles to using extracellular vesicles for delivery and as markers.…”

Section: Introductionmentioning

confidence: 99%

“…Pure amphiphilic drugs self-association studies, for any particular purpose are usually out-of-focus due to their high cmc , because of the use of a high amount of a drug, which might create numerous side effects [ 17 ]. Therefore, amphiphilic drugs are generally used in combination with additives such as surfactant, hydrotropes, bile salts, etc., as a drug carrier that generally forms mixed micelles [ 8 , 15 ]. As a mixture, the cmc value reduced more than 10 times.…”

Section: Introductionmentioning

confidence: 99%

“…As a mixture, the cmc value reduced more than 10 times. Hence, a very low quantity of drug is used along with a mixed micellar system to raise the absorption of numerous drugs [ 8 ].…”

Section: Introductionmentioning

confidence: 99%

“…Herein, the interfacial properties of IMP and TX-100 mixture were evaluated by tenstiometic method in different media, along with 1 H NMR and FT-IR spectroscopy, which were also employed to evaluate the interaction amongst IMP and TX-100 in an aqueous system. Combining IMP with TX-100, might enhance drug characteristics, such as their solubility along with stability in living atmospheres [ 8 , 19 ]. Previously, in an aqueous solution, Alam and Siddiq [ 20 ] examined the association and surface behavior of an IMP drug and TX-100 mixed system by differing the mole fraction of a drug by tensiometric method.…”

Section: Introductionmentioning

confidence: 99%

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Interaction of TX-100 and Antidepressant Imipramine Hydrochloride Drug Mixture: Surface Tension, 1H NMR, and FT-IR Investigation

Rub

Azum

Kumar

et al. 2022

Gels

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Interfacial interaction amongst the antidepressant drug-imipramine hydrochloride (IMP) and pharmaceutical excipient (triton X-100 (TX-100-nonionic surfactant)) mixed system of five various ratios in dissimilar media (H2O/50 mmol·kg−1 NaCl/250 mmol·kg−1 urea) was investigated through the surface tension method. In addition, in the aqueous solution, the 1H-NMR, as well as FT-IR studies of the studied pure and mixed system were also explored and deliberated thoroughly. In NaCl media, properties of pure/mixed interfacial surfaces enhanced as compared with the aqueous system, and consequently the synergism/attractive interaction among constituents (IMP and TX-100) grew, whereas in urea (U) media a reverse effect was detected. Surface excess concentration (Γmax), composition of surfactant at mixed monolayer (X1σ), activity coefficient (f1σ (TX-100) and f2σ (IMP)), etc. were determined and discussed thoroughly. At mixed interfacial surfaces interaction, parameter (βσ) reveals the attractive/synergism among the components. The Gibbs energy of adsorption (ΔGadso) value attained was negative throughout all employed media viewing the spontaneity of the adsorption process. The 1H NMR spectroscopy was also employed to examine the molecular interaction of IMP and TX-100 in an aqueous system. FT-IR method as well illustrated the interaction amongst the component. The findings of the current study proposed that TX-100 surfactant could act as an efficient drug delivery vehicle for an antidepressant drug. Gels can be used as drug dosage forms due to recent improvements in the design of surfactant systems. Release mechanism of drugs from surfactant/polymer gels is dependent upon the microstructures of the gels and the state of the drugs within the system.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…As a mixture, the cmc value reduced more than 10 times. Hence, a very low quantity of drug is used along with a mixed micellar system to raise the absorption of numerous drugs [ 8 ].…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Interaction of TX-100 and Antidepressant Imipramine Hydrochloride Drug Mixture: Surface Tension, 1H NMR, and FT-IR Investigation

Rub

Azum

Kumar

et al. 2022

Gels

Self Cite

View full text Add to dashboard Cite

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“…Especially, the mixed anionic/cationic surfactants show an extremely ideal synergistic effect due to the strong interaction force between molecules. Additionally, the synergistic mechanism has been generally analyzed by numerous parameters’ measurements, such as contact angle, adsorption, zeta potential, Fourier transform infrared spectroscopy (FTIR), viscosity, surface tension, and conductivity [ 8 , 18 , 21 , 22 , 23 , 24 , 25 ].…”

Section: Introductionmentioning

confidence: 99%

Self-Assembly of NaOL-DDA Mixtures in Aqueous Solution: A Molecular Dynamics Simulation Study

Wang

Liu

et al. 2021

Molecules

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The self-assembly behaviors of sodium oleate (NaOL), dodecylamine (DDA), and their mixtures in aqueous solution were systematically investigated by large-scale molecular dynamics simulations, respectively. The interaction mechanisms between the surfactants, as well as the surfactants and solvent, were revealed via the radial distribution function (RDF), cluster size, solvent-accessible surface area (SASA), hydrogen bond, and non-bond interaction energy. Results showed that the molecules more easily formed aggregates in mixed systems compared to pure systems, indicating higher surface activity. The SASA values of DDA and NaOL decreased significantly after mixing, indicating a tighter aggregation of the mixed surfactants. The RDF results indicated that DDA and NaOL strongly interacted with each other, especially in the mixed system with a 1:1 molar ratio. Compared to van der Waals interactions, electrostatic interactions between the surfactant molecules were the main contributors to the improved aggregation in the mixed systems. Besides, hydrogen bonds were found between NaOL and DDA in the mixed systems. Therefore, the aggregates in the mixed systems were much more compact in comparison with pure systems, which contributed to the reduction of the repulsive force between same molecules. These findings indicated that the mixed NaOL/DDA surfactants had a great potential in application of mineral flotation.

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Effect of methanol on surfactants and surfactant–PEO mixtures

Bibi

Shah

Bibi

et al. 2021

Asia-Pacific J Chem Eng

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Methanol–water system possesses unusual interactions, which may affect surfactant self‐assembly. The main objective of this study was to investigate the interactions and aggregation behavior of ionic surfactants sodium dodecyl sulfate (SDS) and cetyltrimethylammonium bromide (CTAB) and their equimolar catanionic binary mixtures (CAM) and their ternary mixtures with poly(ethylene oxide) (PEO) in aqueous solutions containing different volume percentages of methanol. Conductometry, surface tensiometry, and dynamic light scattering were employed for this purpose. The aggregation in all the systems showed methanol‐dependent patterns. The maximum shifts observed in the critical aggregation concentrations were 5.5, 2.7, 6.3, 4.1, and 4.4 mM, respectively, for SDS, CTAB, CAM, SDS/PEO, and CTAB/PEO systems for variation in MeOH from 5% to 30% v/v. The change in dielectric of the media and chaotropic nature of methanol was responsible for alteration in self‐assembly. The nature of surfactant especially and head group hydrophobicity also played a significant role in the process. The maximum change in area per molecule (i.e., ~4 nm2) occurred for CTAB/PEO system. The aggregation was delayed in surfactant solutions; however, the presence of polymer induced aggregation due to favorable polymer–surfactant interactions involving the surfactant adsorption onto polymer chains and formation of mixed aggregates. The hydrodynamic radii for CTAB/PEO systems, which were nearly 10 times greater than those recorded for SDS/PEO, showed the transition of system to nonspherical aggregated states. In short, the presence of methanol retarded the aggregation in surfactant and surfactant–polymer systems.

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A simulation study of self-assembly behaviors and micellization properties of mixed ionic surfactants

Cited by 22 publications

References 101 publications

Interaction of TX-100 and Antidepressant Imipramine Hydrochloride Drug Mixture: Surface Tension, 1H NMR, and FT-IR Investigation

Interaction of TX-100 and Antidepressant Imipramine Hydrochloride Drug Mixture: Surface Tension, 1H NMR, and FT-IR Investigation

Self-Assembly of NaOL-DDA Mixtures in Aqueous Solution: A Molecular Dynamics Simulation Study

Effect of methanol on surfactants and surfactant–PEO mixtures

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