Morphology of Nanometric Overlayers Made of Porphyrin-Type Molecules Physisorbed on Cellulose Iβ Crystals and Nanocrystals

AbstractCellulolytic enzymes can readily access the cellulosic component of lignocellulosic biomass after the removal of lignin during biomass pretreatment. The enzymatic hydrolysis of cellulose is necessary for generating monomeric sugars, which are then fermented into ethanol. In our study, a combination of a deep eutectic (DE) mixture (of 2-aminoethanol and tetra-n-butyl ammonium bromide) and a cyclic ether (tetrahydrofuran) was used for selective delignification of rice straw (RS) under mild conditions (100 °C). Pretreatment with DE-THF solvent system caused ~ 46% delignification whereas cellulose (~ 91%) and hemicellulose (~ 67%) recoveries remained higher. The new solvent system could be reused upto 10 subsequent cycles with the same effectivity. Interestingly, the DE-THF pretreated cellulose showed remarkable enzymatic hydrolysability, despite an increase in its crystallinity to 72.3%. Contrary to conventional pretreatments, we report for the first time that the enzymatic hydrolysis of pretreated cellulose is enhanced by the removal of lignin during DE-THF pretreatment, notwithstanding an increase in its crystallinity. The current study paves way for the development of newer strategies for biomass depolymerization with DES based solvents.

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Solvent behavior of an ionic liquid set around a cellulose Iβ crystallite model through molecular dynamics simulations

Cellulose ◽

10.1007/s10570-021-03992-7 ◽

2021 ◽

Author(s):

Joel A. Sánchez-Badillo ◽

Marco Gallo ◽

José G. Rutiaga-Quiñones ◽

Pablo López-Albarrán

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Cellulose Iβ ◽

Dynamics Simulations

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Effect of microfibril twisting on theoretical powder diffraction patterns of cellulose Iβ

Cellulose ◽

10.1007/s10570-013-0051-z ◽

2013 ◽

Vol 21 (2) ◽

pp. 879-884 ◽

Cited By ~ 15

Author(s):

Jodi A. Hadden ◽

Alfred D. French ◽

Robert J. Woods

Keyword(s):

Powder Diffraction ◽

Cellulose Iβ ◽

Diffraction Patterns

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Structural changes in the molecular sheets along (hk0) planes derived from cellulose Iβ by molecular dynamics simulations

Cellulose ◽

10.1007/s10570-013-9915-5 ◽

2013 ◽

Vol 20 (3) ◽

pp. 1089-1098 ◽

Cited By ~ 8

Author(s):

Hitomi Miyamoto ◽

Chihiro Yamane ◽

Kazuyoshi Ueda

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Changes ◽

Cellulose Iβ ◽

Dynamics Simulations

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Crystallinity fitting using cellulose crystallite models

Acta Crystallographica Section A Foundations and Advances ◽

10.1107/s2053273314088640 ◽

2014 ◽

Vol 70 (a1) ◽

pp. C1135-C1135

Author(s):

Patrik Ahvenainen ◽

Ritva Serimaa

Keyword(s):

Diffraction Pattern ◽

Cell Structure ◽

Unit Cell ◽

Scattering Data ◽

Crystalline Cellulose ◽

Two Dimensional ◽

Cellulose Crystallite ◽

Cellulose Iβ ◽

Diffraction Peaks ◽

Unit Cell Structure

Cellulose is the most abundant biopolymer on Earth and hence it has enormous potential as a source of renewable energy. The nanoscale properties of cellulose are also import for the wood and papermaking industries. The atomic level structure of naturally occurring cellulose Iβ allomorph is well known [1] and this atomistic model is employed in this study for the cellulose unit cell structure. The cellulose crystallinity cannot be measured directly with scattering methods, but the crystallinity of the sample can be estimated by fitting models of crystalline and amorphous contributions to the sample intensity profile. The crystallinity fitting can be enhanced by improving the cellulose fitting model or the amorphous model. We focus on the cellulose crystallite model. The nanoscale level organization of crystalline cellulose in different plant materials is less well established that the unit cell structure of cellulose Iβ. Information on the texture of the sample is obtained efficiently by measuring the sample with a two-dimensional detector. The two-dimensional diffraction pattern can be used to obtain a wealth of information in one measurement, including the crystallite size, crystallite orientation and the crystallinity of the sample. The small size of cellulose crystallites in the wood cell wall limits the information obtainable from the diffraction pattern as the diffraction peaks widen and overlap. The overlapping of certain diffraction peaks can be studied at least qualitatively by computing the diffraction patterns from crystallite models of varying dimensions. Different models for cellulose crystallite have been suggested in the literature, such as the 36 chain model [2]. We investigate how the crystallinity fitting is influenced by the selected cellulose crystallite model and evaluate the suitability of different models to experimental X-ray scattering data of plant material, wood and highly crystalline cellulose.

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Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/22/8/085012 ◽

2014 ◽

Vol 22 (8) ◽

pp. 085012 ◽

Cited By ~ 8

Author(s):

Fernando L Dri ◽

ShunLi Shang ◽

Louis G Hector ◽

Paul Saxe ◽

Zi-Kui Liu ◽

...

Keyword(s):

Temperature Dependence ◽

Elastic Properties ◽

First Principles ◽

Crystalline Cellulose ◽

Cellulose Iβ

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Cellulose Nanocrystals Derived from Textile Waste through Acid Hydrolysis and Oxidation as Reinforcing Agent of Soy Protein Film

Polymers ◽

10.3390/polym12040958 ◽

2020 ◽

Vol 12 (4) ◽

pp. 958 ◽

Cited By ~ 4

Author(s):

Shuting Huang ◽

Ran Tao ◽

Ashraf Ismail ◽

Yixiang Wang

Keyword(s):

Acid Hydrolysis ◽

Cellulose Nanocrystals ◽

Soybean Protein ◽

Value Added ◽

Soybean Protein Isolate ◽

Protein Film ◽

Textile Waste ◽

Aspect Ratios ◽

Cellulose Iβ ◽

Reinforcing Agent

More than 10 million tons of textile waste are disposed through landfill every year in North America. The disposal of textile waste via landfill or incineration causes environmental problems and represents a waste of useful resources. In this work, we explored the possibility to directly extract cellulose nanocrystals (CNCs) from untreated textile waste through two methods, namely sulfuric acid hydrolysis and three-step oxidization. CNCs with cellulose Iβ crystalline structure and rod-like shape were successfully obtained. The aspect ratios of CNCs prepared from acid hydrolysis and oxidization were 10.00 ± 3.39 and 17.10 ± 12.85, respectively. Their application as reinforcing agent of soybean protein isolate (SPI) film was evaluated. With the addition of 20% CNCs, the composite film maintained the high transparency, while their water vapor barrier property, tensile strength, and Young’s modulus were significantly improved. This research demonstrates a promising approach to recycle textile waste, and more value-added applications based on the derived CNCs could be expected.

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