Investigation of the cationic resin as a potential adsorbent to remove MR and CV dyes: Kinetic, equilibrium isotherms studies and DFT calculations

Bensalah, Jaouad; Idrissi, Abdennacer; Faydy, M. El; Doumane, Ghaizlane; Staoui, Abdelali; Hsissou, Rachid; Lebkiri, Ahmed; Habsaoui, Amar; Zarrouk, A.; Rifi, El Housseine

doi:10.1016/j.molstruc.2022.134849

Cited by 30 publications

(8 citation statements)

References 31 publications

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“…It can be seen from nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectra (Figures S2 and S3) that curcumin succinate has been successfully prepared. , Subsequently, theoretical calculations showed that curcumin succinate could form Cur-Car-IL with carnitine through hydrogen bond interaction (Figure S1c–f). − The results showed that curcumin could be successfully prepared into a curcumin-based IL (Cur-Car-IL).…”

Section: Results and Discussionmentioning

confidence: 99%

Curcumin-Based Ionic Liquid Hydrogel for Topical Transdermal Delivery of Curcumin To Improve Its Therapeutic Effect on the Psoriasis Mouse Model

Lu,

Zhong,

Zhang

et al. 2024

ACS Appl. Mater. Interfaces

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Psoriasis is a systemic, recurrent, chronic autoimmune skin disease. However, psoriasis drugs have poor skin permeability and high toxicity, resulting in low bioavailability and affecting their clinical application. In this study, we propose a curcumin-based ionic liquid hydrogel loaded with ilomastat (Cur-Car-IL@Ilo hydrogel), which can effectively maintain the sustained release of drugs and improve the skin permeability of drugs. We used a model of imiquimod-induced psoriasis and demonstrated that local application of Cur-Car-IL@Ilo hydrogel can improve skin lesions in mice with significantly reduced expression levels of inflammatory factors, matrix metalloproteinase 8, and collagen-I. The expressions of iron death-related proteins SLC7A11 and ASL4 were significantly decreased after treatment with Cur-Car-IL@Ilo hydrogel. Flora analysis showed that the content of anaerotruncus, proteus, and UCG-009 bacteria in the gut of psoriatic mice increased. The levels of paludicola, parabacteroides, prevotellaceae_UCG-001, escherichia-shigella, and aerococcus decreased, and the levels of some of the above bacteria tended to be normal after treatment. Therefore, the curcumin-based ionic liquid hydrogel can be used as a multifunctional, nonirritating, noninvasive, and highly effective percutaneous treatment of psoriasis.

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Section: Results and Discussionmentioning

confidence: 99%

Curcumin-Based Ionic Liquid Hydrogel for Topical Transdermal Delivery of Curcumin To Improve Its Therapeutic Effect on the Psoriasis Mouse Model

Lu,

Zhong,

Zhang

et al. 2024

ACS Appl. Mater. Interfaces

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Section: Kinetics Analysismentioning

confidence: 97%

“…If not, the adsorption process is controlled by the film diffusion step [49]. From Figure 6, the Btvs t curves were not linear and did not cross the origin, suggesting that the film diffusion step controlled the adsorption process [53,54]. The first phase displays a higher removal rate of MB due to vacant adsorbent sites and the large concentration gradient at the beginning of the process.…”

Section: Kinetics Analysismentioning

confidence: 98%

Experimental and Theoretical Study of Methylene Blue Adsorption on a New Raw Material, Cynara scolymus—A Statistical Physics Assessment

et al. 2023

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Methylene blue (MB) adsorption was performed on a natural material powder of Cynara scolymus as a new inexpensive adsorbent identified by Cs. To analyze the Cs material, FTIR, SEM, isoelectric point (pHpzc) analysis, TGA, and DRX were used. The maximum experimental adsorption capacity of the Cs material was 203.333, 192.187, and 179.380 mg•g−1 at 298, 303, and 313 K, respectively. The correlation coefficients (R2) and average percentage errors APE (%) values for the kinetic and isotherms models indicated that the adsorption kinetics followed a pseudo-nth order model and that the traditional isotherm model Redlich–Peterson (R–P) correctly described the experimental data obtained at 298, 303, and 313 K, respectively. The steric, energetic, and thermodynamic characteristics of the most relevant advanced model (double-energy single-layer model (AM 2)) were analyzed in detail. The number of active sites for the first receptors (n1) was determined to be 0.129, 0.610, and 6.833, whereas the number of second active sites (n2) was determined to be 1.444, 1.675, and 2.036 at 298, 303, and 313 K, respectively. This indicated the presence of both multi–docking and multimolecular modes for the first style of MB ions (n1), while only a multimolecular mode for the second style of MB ions (n2). Thermodynamic characteristics demonstrated that MB adsorption onto the Cs adsorbent is spontaneous and feasible.

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“…The molecular frontier orbital energy parameters, including E HOMO , E LUMO , E SUM , E GAP , E GAP 2 , I, A, η, S, χ, CP, and ω, were calculated in Gaussian 09. The energy of the highest occupied molecular orbital (E HOMO ) and energy of the lowest unoccupied molecular orbital (E LUMO ) were closely related to the activity of the chemical reaction (Lamya et al, 2021;Amri et al, 2023;Bensalah et al, 2023;Lebkiri et al, 2023). The higher the E HOMO , the stronger the electron-donating capacity of the molecule and vice versa.…”

Section: Calculation Of Parametersmentioning

confidence: 99%

QSAR model and microscopic mechanism analysis of dye removal by coagulation of aluminum chloride under alkaline conditions

Zhang

Qin²,

Tan

et al. 2023

Front. Environ. Sci.

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Introduction: The inorganic coagulant AlCl3 is used in the traditional coagulation method for the decolorization of industrial dye wastewater. We studied its effectiveness in 41 kinds of dye with different structures, including azo, anthraquinone, arylmethane, and indigo dyes.Discussion: The optimal conditions for the removal of dye in the AlCl3 coagulation system were alkaline > neutral > acidic conditions. Under alkaline conditions, the hydrolysis colloid of AlCl3 is positively charged and easily combined with negatively charged anionic dyes by electrostatic adsorption. Therefore, the relationships between the dye removal behavior and molecular parameters under alkaline conditions were analyzed.Methods: Quantitative structure–activity relationship (QSAR) models were built for the color removal rates (Rexp) of 41 dyes and 46 molecular parameters computed by the density functional theory (DFT). Internal validation, external validation, statistical tests, Y-randomization, and applicability domain tests indicated that the optimal models are stable, accurate, reliable, and predictive.Results: The optimal QSAR model showed that surface area (approx.) (SAA) and molecular weight (MW) are two key molecular parameters. Moreover, electrostatic forces and hydrogen bonding are the predominant adsorption forces in this coagulation process.

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Investigation of the cationic resin as a potential adsorbent to remove MR and CV dyes: Kinetic, equilibrium isotherms studies and DFT calculations

Cited by 30 publications

References 31 publications

Curcumin-Based Ionic Liquid Hydrogel for Topical Transdermal Delivery of Curcumin To Improve Its Therapeutic Effect on the Psoriasis Mouse Model

Curcumin-Based Ionic Liquid Hydrogel for Topical Transdermal Delivery of Curcumin To Improve Its Therapeutic Effect on the Psoriasis Mouse Model

Experimental and Theoretical Study of Methylene Blue Adsorption on a New Raw Material, Cynara scolymus—A Statistical Physics Assessment

QSAR model and microscopic mechanism analysis of dye removal by coagulation of aluminum chloride under alkaline conditions

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