Evolution of microstructures and hydrogen bond interactions within choline amino acid ionic liquid and water mixtures

Chen, Jin; Zeng, Xixi; Chen, Ling

doi:10.1039/d2cp01990f

Cited by 8 publications

(8 citation statements)

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“…Water significantly affects the structure of [Ch][AA] bio‐ILs. Therefore, several studies were dedicated to the understanding of structural changes caused by the presence of water in bio‐ILs [70,71,106–108] . Our group investigated the effect of water content on the structural organization and microscopic dynamics of [Ch][Gly] bio‐IL [107] .…”

Section: Discussionmentioning

confidence: 99%

“…Reproduced from ref. [106], with permission from Royal Society of Chemistry. (c) Probability of finding different sized clusters in 1 : 3 and 1 : 10 [Ch][Arg]:water mixtures and (d) corresponding simulation snapshots showing [Ch][Arg] (red) and water (blue).…”

Section: Discussionmentioning

confidence: 99%

“…Therefore, several studies were dedicated to the understanding of structural changes caused by the presence of water in bio-ILs. [70,71,[106][107][108] Our group investigated the effect of water content on the structural organization and microscopic dynamics of [Ch][Gly] bio-IL. [107] It was observed that the structural features in the IL are retained when the amount of added water is up to 0.25 mole fraction.…”

Section: R E V I E W T H E C H E M I C a L R E C O R Dmentioning

confidence: 99%

“…Chen et al demonstrated similar structural changes with increasing water content in [Ch][Lys] and [Ch][Asp] bio-ILs, where conductivity increases upon dilution upto 0.7 and 0.8 mole fractions of water, respectively (see Figure 6(a)). [106] Upon dilution, ion pairs in [Ch][AA] ILs initially dissociate into water-separated ion-pair clusters, to hydrated ion-pairs, and finally free hydrated cations and anions, shown in Figure 6(b). [106] The authors also demonstrated that the functional group on the amino acid side chain plays a vital role on the microstructural change upon hydration.…”

Section: R E V I E W T H E C H E M I C a L R E C O R Dmentioning

confidence: 99%

“…[106] Upon dilution, ion pairs in [Ch][AA] ILs initially dissociate into water-separated ion-pair clusters, to hydrated ion-pairs, and finally free hydrated cations and anions, shown in Figure 6(b). [106] The authors also demonstrated that the functional group on the amino acid side chain plays a vital role on the microstructural change upon hydration. In [Ch][Asp], which has a shorter and polar backbone, it is difficult for water to separate the ion pairs.…”

Section: R E V I E W T H E C H E M I C a L R E C O R Dmentioning

confidence: 99%

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Microstructures of Choline Amino Acid based Biocompatible Ionic Liquids

Dhattarwal

Kashyap

2023

The Chemical Record

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Bio‐compatible ionic liquids (Bio‐ILs) represent a class of solvents with peculiar properties and exhibit huge potential for their applications in different fields of chemistry. Ever since they were discovered, researchers have used bio‐ILs in diverse fields such as biomass dissolution, CO2 sequestration, and biodegradation of pesticides. This review highlights the ongoing research studies focused on elucidating the microscopic structure of bio‐ILs based on cholinium cation ([Ch]+) and amino acid ([AA]−) anions using the state‐of‐the‐art and classical molecular dynamics (MD) simulations. The microscopic structure associated with these green ILs guides their suitability for specific applications. ILs of this class differ in the side chain of the amino acid anions, and varying the side chain significantly affects the structure of these ILs and thus helps in tuning the efficiency of biomass dissolution. This review demonstrates the central role of the side chain on the morphology of choline amino acid ([Ch][AA]) bio‐ILs. The seemingly matured field of bio‐ILs and their employment in various applications still holds significant potential, and the insights on their microscopic structure would steer the field of target specific application of these green ILs.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%