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Bowling, Andrew J.; Amano, Yoshihiko; Lindstrom, Robert E.; BrownJr., R. Malcolm

doi:10.1023/a:1016660621440

Cited by 23 publications

(12 citation statements)

References 24 publications

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“…46 It is also interesting to note that bacterial cellulose ribbons have been observed to rotate during hydrolysis with certain fungal enzymes. 65 3.3. Water structuring above the crystal surfaces Figure 10 displays stereoviews of the contours of solvent density around both cellulose crystals, calculated from the MD simulations.…”

Section: Fiber Twistmentioning

confidence: 99%

Computer simulation studies of microcrystalline cellulose Iβ

Matthews

Skopec

Mason

et al. 2006

Carbohydrate Research

370

350

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Section: Fiber Twistmentioning

confidence: 99%

Computer simulation studies of microcrystalline cellulose Iβ

Matthews

Skopec

Mason

et al. 2006

Carbohydrate Research

370

350

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“…Hanley and Gray reported a right-handed helical twist for microfibrils from M. denticulata using atomic force microscopy and transmission electron microscopy . Narrow twisted ribbons of cellulose were observed during biosynthesis of bacterial cellulose. − Left-handed helical microfibrils have been reported for primary plant wall cellulose . These experimental observations are also backed by some theoretical investigations.…”

Section: Introductionmentioning

confidence: 99%

Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis

et al. 2013

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All-atom molecular dynamics simulations with explicit water solvent were used to investigate the microstructure and conformational dynamics of cellulose Iβ microfibrils as a function of microfibril length and cross-sectional size and shape. Cellulose microfibrils quickly develop a right-handed twist, which then remains stable over the entire 10 ns simulation time. The helical angle is independent of microfibril length and inversely proportional to its cross-sectional area, in accord with the expectations of continuum theory for an intrinsic chiral twist that is opposed by torsional shear. These calculations provide-to our knowledge-the first estimates of the shear modulus of a cellulose microfibril from MD simulations. The internal strains caused by this helical twist, propagated indefinitely along the microfibril axis, could be relaxed by periodic regions of amorphous structure along the axis of the cellulose microfibrils.

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“…[68][69][70][71][72] Quantitative modeling of this cholesteric unwinding can be extracted and related to the longlasting question of the nature of chiral interactions between CNCs. [19,[73][74][75][76][77][78][79][80] Due to the lyotropic nature of these liquid crystals, concentration strongly impacts their final properties. We therefore prepared samples of increasing CNC concentrations (from 13 wt% to 38 wt%, cf.…”

mentioning

confidence: 99%