Phase equilibria and mechanism analysis of separating ethanol from fuel additives by chord chloride-deep electrochemical solvents

Chen, Yusen; Wu, Qiming; Wang, Yangyang; Sun, Chao; Xue, Ke; Guo, Chao; Zhu, Zhaoyou; Wang, Yinglong; Cui, Peizhe

doi:10.1016/j.molliq.2023.123434

Cited by 3 publications

(1 citation statement)

References 56 publications

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“…Furthermore, the study of phase behaviour in systems involving DESs is critical for understanding the fundamental interactions and predicting the behaviour of these solvents in real-world applications. Research by Chen et al offers insights into the phase behaviour and extraction mechanisms of ethanol-n-heptane systems using choline-based DESs, highlighting the complex intermolecular interactions that govern phase separations [12].…”

Section: -Propanol [Hmim][bf4] and [Hmim][otf]mentioning

confidence: 99%

Feasibility of Different Methods for Separating n-Hexane and Ethanol

Sander,

Petračić,

Rogošić

et al. 2024

Separations

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Conventional distillation methods cannot effectively separate the components of an azeotropic mixture since both phases have the same composition, thereby preventing further separation. Additional techniques such as pressure swing distillation or distillation with entrainers are often employed to overcome this limitation and achieve separation. The aim of this investigation was to select the most effective method for separating n-hexane and ethanol. The feasibility of three methods was analyzed: reduced pressure distillation, extractive distillation, and liquid–liquid extraction. The mutual solubility of n-hexane and prepared deep eutectic solvents (DESs) (nine hydrophilic: choline chloride with glycerol, ethylene glycol, or carboxylic acid (malic, citric, glycolic); tetramethylammonium chloride with glycolic acid; lactic acid with glycerol; K2CO3 with glycerol or ethylene glycol; two hydrophobic: menthol with decanoic or dodecanoic acid) was experimentally determined. Extraction experiments were conducted to test the solubility of DESs in the feed mixture. The effect of changing DES-to-feed mass ratio was further investigated with choline chloride–glycerol (1:2). The same DES and both hydrophobic DESs were able to increase the relative volatility and enhance the separation of ethanol and n-hexane. Based on the obtained results, extraction was selected as the most effective method for the separation of n-hexane and ethanol.

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Section: -Propanol [Hmim][bf4] and [Hmim][otf]mentioning

confidence: 99%

Feasibility of Different Methods for Separating n-Hexane and Ethanol

Sander,

Petračić,

Rogošić

et al. 2024

Separations

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Computational Analysis of Interactions Between Drugs and Human Serum Albumin

Yildiz

2024

J of Molecular Recognition

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Drug molecules exist as complexed with serum proteins such as human serum albumin (HSA) and/or unbound free form in the blood circulation. Drugs can be effective only when they are free. Thus, it is important to understand aspects that are important for interaction between drugs and interacting proteins. In this study, interactions among 2990 FDA approved drugs and HSA were computational analyzed to unravel principles that are critical for drug‐HSA interactions. Docking results showed that drugs have higher affinity toward cavity‐1 (C1) than cavity‐2 (C2). A total of 1131 drug molecules have docking score greater than 60 while 768 molecules have docking score greater than 60 when they are docked in C2. In addition, three solvent channels have potential to direct solvent to C1 cavity while C2 does not have any effective channel. The post MD analyses demonstrated that drugs are making polar interactions with basic amino acids in the binding cavities. Verbscoside and ceftazidime both have stable low RMSD values throughout MD simulation with 2 Å on average in C1 cavity. The ligand RMSD shows less stability for verbscoside, which is around 4 Å when it is in complex with HSA in C1. The individual contribution of the residues K192, K196, R215, and R254 to ceftazidime are −1.92 ± 0.18, −3.09 ± 0.09, −2.17 ± 0.17, and − 2.32 ± 0.098, respectively. These residues contribute the binding energy of the verbscoside by −6.06 ± 0.08, −2.10 ± 0.06, and − 1.57 ± 0.03 kcal/mol individually in C1 cavity. C2 is making polar interactions with drug via R469, K472, and K488 residues and their contribution to the two drugs are −3.13 ± 0.21 kcal/mol for R469, −1.94 ± 0.18 kcal/mol for K472, and −1.96 ± 0.11 kcal/mol for K488 to total binding energy of ceftazidime. The binding energy of verbscoside is 57.17 ± 7.00 kcal/mol and Arg‐407 has the highest contribution this bind energy individually with −4.29 ± 0.12 kcal/mol. Drugs with hydrogen bond donor/acceptor chemical adducts such as verbscoside involve higher hydrogen bond formation in C1 pocket. Ceftazidime makes interaction with HSA toward hydrophobic residues, L384, L404, L487, and L488 in the C2 cavity.

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Ligand-human serum albumin analysis: the near-UV CD and UV-Vis spectroscopic studies

Rogóż,

Owczarzy,

Kulig

et al. 2024

Naunyn-Schmiedeberg's Arch Pharmacol

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Spectroscopic methods offer many new opportunities to study protein–ligand interactions. The aim of this study was to evaluate the possibility of using near-UV CD as well as UV-Vis spectroscopic techniques to study the interaction between human serum albumin (HSA) and markers of Sudlow’s site I (warfarin, phenylbutazone) and II (ketoprofen, ibuprofen), as well as prednisolone and indapamide. In order to perform the planned measurements, near-UV CD spectropolarimetry and UV-Vis spectrophotometry have been used. It has been demonstrated that both techniques allow for rapid evaluation of non-covalent interactions between HSA and ligand, as well as identification of the HSA aromatic amino acid residues involved in this process. The near-UV CD spectroscopic data were more valuable than the analysis based on the second derivative of differential UV-Vis absorption spectra, especially for ligands with a non-specified binding site and low affinity towards HSA, such as prednisolone. The combination of both techniques makes it possible for comprehensive analysis of the interaction between HSA and ligands.

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Phase equilibria and mechanism analysis of separating ethanol from fuel additives by chord chloride-deep electrochemical solvents

Cited by 3 publications

References 56 publications

Feasibility of Different Methods for Separating n-Hexane and Ethanol

Feasibility of Different Methods for Separating n-Hexane and Ethanol

Computational Analysis of Interactions Between Drugs and Human Serum Albumin

Ligand-human serum albumin analysis: the near-UV CD and UV-Vis spectroscopic studies

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