Prediction of critical micelle concentration of cationic surfactants using connectivity indices

Mozrzymas, Anna; Różycka‐Roszak, Bożenna

doi:10.1007/s10910-010-9738-7

Cited by 18 publications

(17 citation statements)

References 16 publications

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“…Aggregation The cmc values of the gemini surfactants investigated are lower than the values of corresponding monomeric ones. Thus, the cmc value of 12-MOH-O-MOH-12 (Table 1) is one order of magnitude lower than the values of 16 mM and 21 mM reported for N-dodecyl-Nhydroxyethyl-N,N-dimethylammonium bromide [38] and for N-dodecyl-N,N,Ntrimethylammonium chloride [39], respectively.…”

Section: Tablementioning

confidence: 54%

Cationic gemini surfactants containing an O-substituted spacer and hydroxyethyl moiety in the polar heads: Self-assembly, biodegradability and aquatic toxicity

Kaczerewska

Brycki

Ribosa

et al. 2018

Journal of Industrial and Engineering Chemistry

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Micellization and some ecological properties of new cationic gemini surfactants with oxygensubstituted spacer and hydroxyethyl groups connected to the polar heads have been studied. The incorporation of a hydroxyethyl group in the polar head favors self-aggregation whereas the presence of the oxygen in the spacer increases critical micelle concentration. Surfactants investigated are not biodegradable due to their toxic effect on microorganisms responsible for biodegradation. Aquatic toxicity increases with the hydrophobic chain and decreases by increasing the hydrophilicity of spacer and polar heads. New gemini surfactants are less toxic to the aquatic environment than monomeric surfactants and non-oxygen-containing gemini surfactants.

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Section: Tablementioning

confidence: 54%

Cationic gemini surfactants containing an O-substituted spacer and hydroxyethyl moiety in the polar heads: Self-assembly, biodegradability and aquatic toxicity

Kaczerewska

Brycki

Ribosa

et al. 2018

Journal of Industrial and Engineering Chemistry

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“…In the process of searching for the simple relationship were used, just as in the previous papers [8, 12], ten indices: five molecular connectivity indices and five valence molecular connectivity indices, from zeroth to fourth order in each case. These indices were calculated for the compounds studied (Fig.…”

Section: Resultsmentioning

confidence: 99%

Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices

Mozrzymas

2013

J Solution Chem

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Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index 2χ includes some information about flexibility. The obtained model was used to predict log10 cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log10 cmc for the gemini surfactants that were not used in the correlation is very good.

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“…Just as in the previous papers [11–13], the structure of the molecule is represented by Kier and Hall’s molecular connectivity indices.…”

Section: Methodsmentioning

confidence: 99%

Molecular connectivity indices for modeling the critical micelle concentration of cationic (chloride) Gemini surfactants

Mozrzymas

2016

Colloid Polym Sci

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The molecular connectivity indices were used to derive the simple model relating the critical micelle concentration of cationic (chloride) gemini surfactants to their structure. One index was selected as the best to describe the effect of the structure of investigated compounds on critical micelle concentration consistent with the experimental results. This index encodes the information about molecular size, the branches, and also the information about heteroatoms. The selected model can be helpful in designing novel chloride gemini surfactants.

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Prediction of critical micelle concentration of cationic surfactants using connectivity indices

Cited by 18 publications

References 16 publications

Cationic gemini surfactants containing an O-substituted spacer and hydroxyethyl moiety in the polar heads: Self-assembly, biodegradability and aquatic toxicity

Cationic gemini surfactants containing an O-substituted spacer and hydroxyethyl moiety in the polar heads: Self-assembly, biodegradability and aquatic toxicity

Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices

Molecular connectivity indices for modeling the critical micelle concentration of cationic (chloride) Gemini surfactants

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