Nanostructure in amino acid ionic molecular hybrid solvents

Miao, Shurui; Imberti, Silvia; Warr, Gregory G.

doi:10.1016/j.molliq.2022.118599

Cited by 14 publications

(22 citation statements)

References 44 publications

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“…In the third category at high water content, IL networks are completely dissolved by the water and residual IL structure is lost. 101 At this point, the bulk behaviour is dominated by water and ILs are simply behaving as mobile charges or ion pairs. Fig.…”

Section: Discussionmentioning

confidence: 99%

“…100 Studies have shown that water forms short, linear hydrogen bonds with amino acid anions. 29,101 Therefore, water is likely to compete with hydrogen bonds among ions and weaken the lubricant film at the interface, ultimately leading to the dissolution of amino acid, and cleavage of the lubricant film. This is supported by the observation that the effectiveness of ChPro as a lubricant correlates with water content.…”

Section: Lubricationmentioning

confidence: 99%

“…However, X-ray scattering patterns and simulations provide insufficient detail across all relevant length scales for the optimisation and rational design of these solvents; Highresolution experimental structural studies of ChAAILs with desired functionality and properties are critical. The bulk structure of some ChAAILs has recently been examined using neutron diffraction, 28,29,90,101,174 as well as by simulation (employing >500 ions). 175,176 This has revealed that ChAAILs may have individual origins of nanostructure primarily governed by anion sidechains.…”

Section: Design Rules For Chaail-based Solutionsmentioning

confidence: 99%

“…However, as recently pointed out by us, neutron diffraction and the associated modelling tool (empirical potential structure refinement) cannot always unambiguously differentiate the subtle difference in cyclisation and dimerization of Lys − , as both lead to similar local and long-range nanostructure. 101,151 An equivalent fit of the neutron diffraction data can be obtained from both conformations. This uncertainty of anion conformation matches the weak pre-peak observed in X-ray scattering and suggests the sidechain of lysinate is extremely flexible, allowing the ChLys nanostructure to be highly adaptive.…”

Section: Design Rules For Chaail-based Solutionsmentioning

confidence: 99%

“…5 classifies ChAAIL-water mixtures based on published clustering information according to the ratio of the sizes of the largest water or IL clusters (normalised to the abundance of water and IL within the respective liquid model). 28,29,90,101 For a continuous network, its continuity factor will be close to 1.…”

Section: Design Rules For Chaail-based Solutionsmentioning

confidence: 99%

See 4 more Smart Citations

Design and applications of biocompatible choline amino acid ionic liquids

Miao

Warr

2022

Green Chem.

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Section: Discussionmentioning

confidence: 99%

Section: Lubricationmentioning

confidence: 99%

Section: Design Rules For Chaail-based Solutionsmentioning

confidence: 99%

Section: Design Rules For Chaail-based Solutionsmentioning

confidence: 99%

Section: Design Rules For Chaail-based Solutionsmentioning

confidence: 99%

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Design and applications of biocompatible choline amino acid ionic liquids

Miao

Warr

2022

Green Chem.

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Beneath the Skin: Nanostructure in the Sub‐Oxide Region of Liquid Metal Nanodroplets

Vaillant,

Krishnamurthi,

Parker

et al. 2023

Adv Funct Materials

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Liquid metals (LMs) are emerging as unique fluids for a variety of applications, but their nanoscale solvation properties remain largely understudied. In this work, a combination of atomic force microscopy (AFM) and molecular dynamics (MD) simulations are used to investigate the structure of the interface between the bulk room temperature liquid metal (RTLM) and the LM oxide in nanodroplet systems of gallium, EGaIn (75.5% gallium, 24.5% indium), and Galinstan (68.5% gallium, 21.5% indium, 10% tin). Field's metal (51% indium, 32.5% bismuth, 16.5% tin) is also investigated, which melts at ≈62 °C, as a contrast to the other systems. AFM measurements reveal distinct sub‐oxide nanostructured layering in all three RTLM systems, and Field's metal above the melting point, to differing degrees. EGaIn and Galinstan show multiple penetration events between 20 and 30 nm, with smaller, less complex events in Ga. MD simulations suggest that this layering is a result of the near‐surface ordering of LM atoms beneath the oxide layer. Importantly, the atoms in this region do not behave as solids but are more ordered than in a pure disordered liquid system. The surface nanostructure elucidated here significantly expands the understanding of LM systems and their behavior at interfaces.

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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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Nanostructure in amino acid ionic molecular hybrid solvents

Cited by 14 publications

References 44 publications

Design and applications of biocompatible choline amino acid ionic liquids

Design and applications of biocompatible choline amino acid ionic liquids

Beneath the Skin: Nanostructure in the Sub‐Oxide Region of Liquid Metal Nanodroplets

Microstructures of Choline Amino Acid based Biocompatible Ionic Liquids

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