Green method for preparation of cellulose nanocrystals using deep eutectic solvent

Смирнов, М. А.; Sokolova, Maria P.; Tolmachev, Dmitry; Vorobiov, Vitaly K.; Kasatkin, Igor; Смирнов, Н. Н.; Klaving, Anastasya V.; Bobrova, N. V.; Lukasheva, N. V.; Yakimansky, Alexander V.

doi:10.1007/s10570-020-03100-1

Cited by 50 publications

(25 citation statements)

References 64 publications

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“…It was shown that the anion of the hydrogen bond acceptor and the HBD molecules form hydrogen bonds with glucose and thus govern the dissolution of glucose. Similar conclusion was made by Smirnov et al [108] in their simulation of nanocrystalline cellulose in reline. In particular, it was revealed that the formation of H-bonds between the cellulose hydroxyl groups, the urea CO group and the Cl − ions are the key for dissolution, see Figure 5.…”

Section: Biomass Pretreatment By Dessupporting

confidence: 88%

“…[106,107]). Although charge scaling helps, at least in some cases, to achieve agreement with experiments, it can also lead to artificial structural and dielectric properties such as an excessive decrease in density [108], less intense peaks in the radial distribution functions, and an artificial dielectric response [109]. In addition, changes in the atomic charges can affect the parameterization of intermolecular interactions leading to artificial structural characteristics [105,110].…”

Section: Molecular Dynamics Simulationsmentioning

confidence: 99%

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Computer Simulations of Deep Eutectic Solvents. Challenges, Solutions, and Perspectives

Tolmachev¹,

Lukasheva²,

Рамазанов³

et al. 2021

Preprint

Self Cite

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Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents, appearing in a broad range of applications such as nanotechnology, electrochemistry, biomass transformation, pharmaceuticals, membrane technology, biocomposite development, modern 3D-printing, and many others. The range of their applicability continues to expand, which demands the development of new DESs with improved properties. To do so requires an understanding of the fundamental relationship between the structure and properties of DESs. Computer simulation and machine learning techniques provide a fruitful approach as they can provide predictions, reveal physical mechanisms and readily be linked to experiments. This review is devoted to the computational research of DESs and describes technical features of DES simulations and the corresponding perspectives on various DES applications. The aim is to demonstrate the current frontiers of computational research of DESs and discuss future perspectives.

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Section: Biomass Pretreatment By Dessupporting

confidence: 88%

Section: Molecular Dynamics Simulationsmentioning

confidence: 99%

Computer Simulations of Deep Eutectic Solvents. Challenges, Solutions, and Perspectives

Tolmachev¹,

Lukasheva²,

Рамазанов³

et al. 2021

Preprint

Self Cite

View full text Add to dashboard Cite

show abstract

“…This makes them interesting for increasing sustainability in chemical technology. Due their capability to form hydrogen bond networks, DES have demonstrated outstanding ability to interact with polysaccharides [ 22 ] and they are being intensely studied as prospective plasticizers for chitosan [ 50 , 51 , 52 , 53 ], starch [ 54 ] and as media for treatment of chitin [ 55 , 56 , 57 ] or cellulose [ 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 ]. Additionally, using unsaturated acids such as acrylic or methacrylic acids as hydrogen bond donors [ 66 ] provides DES the ability to polymerize in a new green way for preparation of functional materials [ 67 ].…”

Section: Introductionmentioning

confidence: 99%

Polymerizable Choline- and Imidazolium-Based Ionic Liquids Reinforced with Bacterial Cellulose for 3D-Printing

et al. 2021

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In this work, a novel approach is demonstrated for 3D-printing of bacterial cellulose (BC) reinforced UV-curable ion gels using two-component solvents based on 1-butyl-3-methylimidazolium chloride or choline chloride combined with acrylic acid. Preservation of cellulose’s crystalline and nanofibrous structure is demonstrated using wide-angle X-ray diffraction (WAXD) and atomic force microscopy (AFM). Rheological measurements reveal that cholinium-based systems, in comparison with imidazolium-based ones, are characterised with lower viscosity at low shear rates and improved stability against phase separation at high shear rates. Grafting of poly(acrylic acid) onto the surfaces of cellulose nanofibers during UV-induced polymerization of acrylic acid results in higher elongation at break for choline chloride-based compositions: 175% in comparison with 94% for imidazolium-based systems as well as enhanced mechanical properties in compression mode. As a result, cholinium-based BC ion gels containing acrylic acid can be considered as more suitable for 3D-printing of objects with improved mechanical properties due to increased dispersion stability and filler/matrix interaction.

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“…Molecular dynamic simulations revealed that the native cellulose structure was destroyed by the hydrogen bond interactions between OH groups of cellulose and CO groups of urea, while retaining the high crystallinity. [ 91 ] Moreover, DES based on ChCl/imidazole, [ 92 ] ChCl/oxalic acid dehydrate, [ 93 ] and aminoguanidine hydrochloride/glycerol [ 94 ] were reported for the fabrication of CNCs and CNFs. The morphology, size, and molecular weight of the resulting CNFs depend on the treatment process ( Figure ).…”

Section: Isolation Of Assemblies From Biopolymers With Hierarchical Smentioning

confidence: 99%

Biopolymer Nanoscale Assemblies as Building Blocks for New Materials: A Review

Pei

Wang

Tang

et al. 2021

Adv Funct Materials

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Biopolymers, a class of fascinating polymers from biomass provide sustainability, biodegradability, availability, biocompatibility, and unique properties. A ubiquitous feature of biopolymers is their hierarchical structure, with the presence of well‐organized structures from the nanoscale to macroscopic dimensions. This structural organization endows biopolymers with toughness, defect resistance, and bucking adaptability. To retain these inherent structural features, nano‐structural assemblies isolated from biomass have been applied as building blocks to construct new biopolymer‐based materials. This top‐down processing strategy is distinct from the more traditional molecular‐level bottom‐up design and assembly approach for new materials. In this review, the hierarchical structures of several representative biopolymers (cellulose, chitin, silk, collagen) are introduced with a focus on these nanoscale building blocks, as well as highlighting the similarities and differences in the respective chemistries and structures. Recent progress in production strategies of these natural building blocks are summarized, covering methods and treatments used for isolations. Finally, approaches and emerging applications of biopolymer‐based materials using these natural nano‐ and meso‐scale building blocks are demonstrated in areas of biomedicine, electronics, environmental, packaging, sensing, foods, and cosmetics.

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Green method for preparation of cellulose nanocrystals using deep eutectic solvent

Cited by 50 publications

References 64 publications

Computer Simulations of Deep Eutectic Solvents. Challenges, Solutions, and Perspectives

Computer Simulations of Deep Eutectic Solvents. Challenges, Solutions, and Perspectives

Polymerizable Choline- and Imidazolium-Based Ionic Liquids Reinforced with Bacterial Cellulose for 3D-Printing

Biopolymer Nanoscale Assemblies as Building Blocks for New Materials: A Review

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