Effect of various solvents on the absorption spectra of dithizone and DFT calculations

Rauf, Muhammad; Hisaindee, Soleiman; Graham, John; Alzamly, Ahmed

doi:10.1016/j.molliq.2015.07.039

Cited by 23 publications

(5 citation statements)

References 26 publications

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“…Regarding the DTZ/ClCH 3 /CNFs/acetic acid/H 2 O system, it is worth noting that the addition of any organic co-solvent is counter-productive. Rauf et al 24 indicated that in a mixture of miscible solvents, DTZ molecules are solvated by the most polar one. In the aforementioned Pickering emulsion, DTZ is solvated by CHCl 3 because of its insolubility in aqueous acidic media.…”

Section: Stability Of Dithizone In Different Solventmentioning

confidence: 99%

“…Likewise, surfactants or organic co-solvents do not suffice to grant chemical stability during storage, forcing measurements to be performed on the same day . While the effect of different solvent systems on tautomerism has been studied in great detail, , a practical inquiry on their effect on storability is, to the best of our knowledge, still pending.…”

Section: Introductionmentioning

confidence: 99%

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Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg²⁺ Detection: A Novel Approach for a Classical Problem

Aguado

Mazega

Fiol

et al. 2023

ACS Appl. Mater. Interfaces

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The use of dithizone (DTZ) for colorimetric heavymetal detection is approximately one century old. However, its pending stability issues and the need for simple indicators justify further research. Using cellulose nanofibers, we attained DTZcontaining emulsions with high stability. These emulsions had water (at least 95 wt %) and acetic acid (1−8 mL/L) conforming the continuous phase, while dispersed droplets of diameter <1 μm contained chloroform-solvated DTZ (3 wt %). The solvation cluster was computed by molecular dynamics simulations, suggesting that chloroform slightly reduces the dihedral angle between the two sides of the thiocarbazone chain. Nanocellulose concentrations over 0.2 wt % sufficed to obtain macroscopically homogeneous mixtures with no phase separation. Furthermore, the rate of degradation of DTZ in the nanocellulose-stabilized emulsion did not differ significantly from a DTZ/chloroform solution, outperforming DTZ/toluene and DTZ/acetonitrile. Not only is the emulsion readily and immediately responsive to mercury(II), but it also decreases interferences from other ions and from natural samples. Unexpectedly, neither lead(II) nor cadmium(II) triggered a visual response at trace concentrations. The limit of detection of these emulsions is 15 μM or 3 mg/L, exceeding WHO limits for mercury(II) in drinking water, but they could be effective at raising alarms.

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Section: Stability Of Dithizone In Different Solventmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg²⁺ Detection: A Novel Approach for a Classical Problem

Aguado

Mazega

Fiol

et al. 2023

ACS Appl. Mater. Interfaces

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“…Among these literature studies, the simulation results of several of these literature studies [24,25,28,29] show that the shape and behavior of micelles mainly depend on the aggregation number of aggregates. An important application of TX-100 micelles is that the hydrophobic part can dissolve insoluble organic compounds [30]. A detailed understanding of the pure micelle system is a prerequisite for the study of organic matter and micelle composite systems [31].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution

Peng

Song

et al. 2023

Molecules

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The aggregation structure of Triton X (TX) amphiphilic molecules in aqueous solution plays an important role in determining the various properties and applications of surfactant solutions. In this paper, the properties of micelles formed by TX-5, TX-114, and TX-100 molecules with different poly(ethylene oxide) (PEO) chain lengths in TX series of nonionic surfactants were studied via molecular dynamics (MD) simulation. The structural characteristics of three micelles were analyzed at the molecular level, including the shape and size of micelles, the solvent accessible surface area, the radial distribution function, the micelle configuration, and the hydration numbers. With the increase of PEO chain length, the micelle size and solvent accessible surface area also increase. The distribution probability of the polar head oxygen atoms on the surface of the TX-100 micelle is higher than that in the TX-5 or TX-114 micelle. In particular, the tail quaternary carbon atoms in the hydrophobic region are mainly located at the micelle exterior. For TX-5, TX-114, and TX-100 micelles, the interactions between micelles and water molecules are also quite different. These structures and comparisons at the molecular level contribute to the further understanding of the aggregation and applications of TX series surfactants.

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“…In addition, these materials have very harmful effects on human health, animal health, and marine life even at very low concentrations. [1][2][3] Some industries that require synthetic dyes for coloring their products, such as paper, textile, fur, drugs, cosmetics, food, plastics, photographic, and leather, are regarded as the main sources of these contaminants in the environment as they produce large amounts of wastewater contaminated by such dyes from numerous industrial processes. [4][5][6][7][8][9][10] These dyes are regarded as one of the most dangerous types and pose a serious environmental issue.…”

Section: Introductionmentioning

confidence: 99%

A novel method for highly effective removal and determination of binary cationic dyes in aqueous media using a cotton–graphene oxide composite

et al. 2020

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Effect of various solvents on the absorption spectra of dithizone and DFT calculations

Cited by 23 publications

References 26 publications

Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg²⁺ Detection: A Novel Approach for a Classical Problem

Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg²⁺ Detection: A Novel Approach for a Classical Problem

Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution

A novel method for highly effective removal and determination of binary cationic dyes in aqueous media using a cotton–graphene oxide composite

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Effect of various solvents on the absorption spectra of dithizone and DFT calculations

Cited by 23 publications

References 26 publications

Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg2+ Detection: A Novel Approach for a Classical Problem

Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg2+ Detection: A Novel Approach for a Classical Problem

Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution

A novel method for highly effective removal and determination of binary cationic dyes in aqueous media using a cotton–graphene oxide composite

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Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg²⁺ Detection: A Novel Approach for a Classical Problem

Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg²⁺ Detection: A Novel Approach for a Classical Problem