Factors affecting the refractive index of amino acid-based deep eutectic solvents

Chen, Yu; Peng, Xiaoxia; Bi, Zixin; Yu, Dongkun; Zhang, Yixuan; Guo, Yuting; Yang, Xiaoqing; Zhang, Baolong; Mu, Tiancheng

doi:10.1016/j.ctta.2021.100016

Cited by 6 publications

(4 citation statements)

References 48 publications

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“…Therefore, the effect of the mole ratio on the properties of DESs should be investigated. There are many previous reports investigating the effect of the mole ratio of DESs on physical properties ,, and industrial applications. ,− DESs DBU/DBN:EG with different molar ratios (i.e., 2:1, 4:1, 6:1, and 8:1) are prepared to study the effect of the molar ratio on the toxicity of superbase-derived DESs. The IC50 values of DBU, DBN, and EG were 8.49 ± 0.09 mM, 15.51 ± 3.68 mM, and 1308.34 ± 14.32 mM, respectively (Table ).…”

Section: Resultsmentioning

confidence: 99%

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO₂ Capture and Conversion

Cao

Sun

et al. 2023

Ind. Eng. Chem. Res.

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Superbase-derived deep eutectic solvents (DESs) are considered as biodegradable, low toxic, and sustainable solvents for efficient capture and conversion of carbon dioxide. However, do superbase-derived DESs have low toxicity just as reported? Herein, contradictory to the conventional thought, we find that the toxicity of superbase-derived DESs is super high. The toxicity of superbase-derived DESs in this work could be ca. 266 times that of DESs previously reported. Moreover, toxicity could be tuned by changing hydrogen bond donors, hydrogen bond acceptors, and mole ratios. The results indicate that the types of hydrogen bond donors had a paramount effect on the toxicity of DESs, and increasing the molar ratio of higher toxic components will also increase the toxicity of DESs. This work will provide possible ways to reduce the toxicity of DESs for achieving sustainable and green capture and conversion of carbon dioxide.

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Section: Resultsmentioning

confidence: 99%

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO₂ Capture and Conversion

Cao

Sun

et al. 2023

Ind. Eng. Chem. Res.

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“…The physiological condition of the simulation was 310 K and 1.013 bar, which mimics the physiological state of the human cell. 56 , 57 The energies and structures were recorded every 100 ps and saved in the trajectory, where 1000 frames were generated throughout the simulation. The Simulation Interaction Diagram module then examined the trajectories to investigate the root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), 3D structure, and protein-ligand contact.…”

Section: Methodsmentioning

confidence: 99%

S-Adenosyl-l-Homocysteine Exhibits Potential Antiviral Activity Against Dengue Virus Serotype-3 (DENV-3) in Bangladesh: A Viroinformatics-Based Approach

Shill

Jahan

Alam

et al. 2023

Bioinform Biol Insights

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Dengue outbreak is one of the concerning issues in Bangladesh due to the annual outbreak with the alarming number of death and infection. However, there is no effective antiviral drug available to treat dengue-infected patients. This study evaluated and screened antiviral drug candidates against dengue virus serotype 3 (DENV-3) through viroinformatics-based analyses. Since 2017, DENV-3 has been the predominant serotype in Bangladesh. We selected 3 non-structural proteins of DENV-3, named NS3, NS4A, and NS5, as antiviral targets. Protein modeling and validation were performed with VERIFY-3D, Ramachandran plotting, MolProbity, and PROCHECK. We found 4 drug-like compounds from DRUGBANK that can interact with these non-structural proteins of DENV-3. Then, the ADMET profile of these compounds was determined by admetSAR2, and molecular docking was performed with AutoDock, SWISSDOCK, PatchDock, and FireDock. Furthermore, they were subjected to molecular dynamics (MD) simulation study using the DESMOND module of MAESTRO academic version 2021-4 (force field OPLS_2005) to determine their solution’s stability in a predefined body environment. Two drug-like compounds named Guanosine-5’-Triphosphate (DB04137) and S-adenosyl-l-homocysteine (DB01752) were found to have an effective binding with these 3 proteins (binding energy > 33.47 KJ/mole). We found NS5 protein was stable and equilibrated in a 100 ns simulation run along with a negligible (<3Å) root-mean-square fluctuation value. The root-mean-square deviation value of the S-adenosyl-l-homocysteine-NS5 complex was less than 3Å, indicating stable binding between them. The global binding energy of S-adenosyl-l-homocysteine with NS5 was −40.52 KJ/mole as ∆G. Moreover, these 2 compounds mentioned above are non-carcinogenic according to their ADMET (chemical absorption, distribution, metabolism, excretion, and toxicity) profile (in silico). These outcomes suggest the suitability of S-adenosyl-l-homocysteine as a potential drug candidate for dengue drug discovery research.

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“…A number of workers [22][23][24][25][26][27][28][29][30] have measured refractive index of liquids and liquids solutions using Abbe Refractometer. When a ray of light passes from one medium to another, it suffers refraction, that is, change of direction.…”

Section: Refractive Index Studymentioning

confidence: 99%

Refractive index, conductometric, and fluorescence probe study on interaction of valine with aqueous solution of anionic surfactant, sodium dodecyl surfactant (SDS), at 298.15, 303.15, 308.15 and 313.15 K

Alok Gupta,

Anju Singh

2024

Int. J. Sci. Res. Arch.

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Interactions between amino acid (valine) and surfactant (sodium dodecyl sulphate) was investigated using refractive index and conductance data. These data were used to calculate molar refraction (RD), and limiting molar conductance (∧m0) and these parameter further utilized to find out solute-solvent interactions between amino acid and surfactant at 298.15, 303.15, 308.15 and 313.15 K temperatures. Also fluorescence measurements using pyrene as a photophysical probe have also been carried out for the present amino acid–surfactant systems.

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Factors affecting the refractive index of amino acid-based deep eutectic solvents

Cited by 6 publications

References 48 publications

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO₂ Capture and Conversion

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO₂ Capture and Conversion

S-Adenosyl-l-Homocysteine Exhibits Potential Antiviral Activity Against Dengue Virus Serotype-3 (DENV-3) in Bangladesh: A Viroinformatics-Based Approach

Refractive index, conductometric, and fluorescence probe study on interaction of valine with aqueous solution of anionic surfactant, sodium dodecyl surfactant (SDS), at 298.15, 303.15, 308.15 and 313.15 K

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Factors affecting the refractive index of amino acid-based deep eutectic solvents

Cited by 6 publications

References 48 publications

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO2 Capture and Conversion

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO2 Capture and Conversion

S-Adenosyl-l-Homocysteine Exhibits Potential Antiviral Activity Against Dengue Virus Serotype-3 (DENV-3) in Bangladesh: A Viroinformatics-Based Approach

Refractive index, conductometric, and fluorescence probe study on interaction of valine with aqueous solution of anionic surfactant, sodium dodecyl surfactant (SDS), at 298.15, 303.15, 308.15 and 313.15 K

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Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO₂ Capture and Conversion

Unexpectedly Superhigh Toxicity of Superbase-Derived Deep Eutectic Solvents albeit High Efficiency for CO₂ Capture and Conversion