Chirality and bound water in the hierarchical cellulose structure

An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose

(2018) Daniel P. Oehme et al.   CELLULOSE

Cellulose crystals plastify by localized shear

(2018) Gergely Molnár et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantification of accessible hydroxyl groups in cellulosic pulps by dynamic vapor sorption with deuterium exchange

(2018) Saija Väisänen et al.   CELLULOSE

Cellulose Crystal Dissolution in Imidazolium-Based Ionic Liquids: A Theoretical Study

(2017) Takuya Uto et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Impact of hydration on the micromechanical properties of the polymer composite structure of wood investigated with atomistic simulations

(2017) Karol Kulasinski et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Structure of native cellulose microfibrils, the starting point for nanocellulose manufacture

(2017) Michael C. Jarvis   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Synthesis and Self-Assembly of Cellulose Microfibrils from Reconstituted Cellulose Synthase

(2017) Sung Hyun Cho et al.   PLANT PHYSIOLOGY

Dynamics of water bound to crystalline cellulose

(2017) Hugh O’Neill et al.   Scientific Reports

Cellulose Aggregation under Hydrothermal Pretreatment Conditions

(2016) Rodrigo L. Silveira et al.   BIOMACROMOLECULES

Origin of the twist of cellulosic materials

(2016) Kevin Conley et al.   CARBOHYDRATE POLYMERS

Non-exchanging hydroxyl groups on the surface of cellulose fibrils: The role of interaction with water

(2016) Erik L. Lindh et al.   CARBOHYDRATE RESEARCH

Atomistic molecular dynamics simulations on the interaction of TEMPO-oxidized cellulose nanofibrils in water

(2016) Antti Paajanen et al.   CELLULOSE

Initial reaction mechanisms of cellulose pyrolysis revealed by ReaxFF molecular dynamics

(2016) Mo Zheng et al.   FUEL

Porosity of wood pulp fibers in the wet and highly open dry state

(2016) Ville A. Lovikka et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Spatial organization of cellulose microfibrils and matrix polysaccharides in primary plant cell walls as imaged by multichannel atomic force microscopy

(2016) Tian Zhang et al.   PLANT JOURNAL

Cellulose synthase complexes act in a concerted fashion to synthesize highly aggregated cellulose in secondary cell walls of plants

(2016) Shundai Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Comparative Structural and Computational Analysis Supports Eighteen Cellulose Synthases in the Plant Cellulose Synthesis Complex

(2016) B. Tracy Nixon et al.   Scientific Reports

Water Adsorption in Wood Microfibril-Hemicellulose System: Role of the Crystalline–Amorphous Interface

(2015) Karol Kulasinski et al.   BIOMACROMOLECULES

The molecular origins of twist in cellulose I-beta

(2015) Lintao Bu et al.   CARBOHYDRATE POLYMERS

Gaining insight into cell wall cellulose macrofibril organisation by simulating microfibril adsorption

(2015) Daniel P. Oehme et al.   CELLULOSE

How endoglucanase enzymes act on cellulose nanofibrils: role of amorphous regions revealed by atomistic simulations

(2015) Adam Orłowski et al.   CELLULOSE

Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose I β

(2015) Fernando L. Dri et al.   COMPUTATIONAL MATERIALS SCIENCE

Solid-state NMR investigations of cellulose structure and interactions with matrix polysaccharides in plant primary cell walls

(2015) Tuo Wang et al.   JOURNAL OF EXPERIMENTAL BOTANY

Thermoporosimetry of hard (silica) and soft (cellulosic) materials by isothermal step melting

(2015) Thad C. Maloney   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Water Vapor Uptake of Ultrathin Films of Biologically Derived Nanocrystals: Quantitative Assessment with Quartz Crystal Microbalance and Spectroscopic Ellipsometry

(2015) Elina Niinivaara et al.   LANGMUIR

Unique Aspects of the Structure and Dynamics of Elementary IβCellulose Microfibrils Revealed by Computational Simulations

(2015) Daniel P. Oehme et al.   PLANT PHYSIOLOGY

Understanding nanocellulose chirality and structure–properties relationship at the single fibril level

(2015) Ivan Usov et al.   Nature Communications

Atomic partial charges and one Lennard-Jones parameter crucial to model cellulose allomorphs

(2014) Pan Chen et al.   CELLULOSE

Re-constructing our models of cellulose and primary cell wall assembly

(2014) Daniel J Cosgrove   CURRENT OPINION IN PLANT BIOLOGY

Low-energy irradiation effects in cellulose

(2014) Jussi Polvi et al.   JOURNAL OF APPLIED PHYSICS

Comparison of low-energy β radiation effects in polyethylene and cellulose by molecular dynamics simulations

(2014) Jussi Polvi et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Unraveling Cellulose Microfibrils: A Twisted Tale

(2013) Jodi A. Hadden et al.   BIOPOLYMERS

Size, shape, and arrangement of native cellulose fibrils in maize cell walls

(2013) Shi-You Ding et al.   CELLULOSE

Common processes drive the thermochemical pretreatment of lignocellulosic biomass

(2013) Paul Langan et al.   GREEN CHEMISTRY

Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis

(2013) Zhen Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hierarchical chirality transfer in the growth of Towel Gourd tendrils

(2013) Jian-Shan Wang et al.   Scientific Reports

Molecular simulation of surface reorganization and wetting in crystalline cellulose I and II

(2012) Reinhard J. Maurer et al.   CELLULOSE

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields

(2012) James F. Matthews et al.   Journal of Chemical Theory and Computation

Primary Radiation Defect Production in Polyethylene and Cellulose

(2012) Jussi Polvi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mechanical properties of cellulose nanofibrils determined through atomistic molecular dynamics simulations

(2012) Paavilainen   NORDIC PULP & PAPER RESEARCH JOURNAL

Neutron crystallographic and molecular dynamics studies of the structure of ammonia-cellulose I: rearrangement of hydrogen bonding during the treatment of cellulose with ammonia

(2011) Masahisa Wada et al.   CELLULOSE

Conversion of cellulose Iα to Iβ via a high temperature intermediate (I-HT) and other cellulose phase transformations

(2011) James F. Matthews et al.   CELLULOSE

A molecular dynamics study of the thermal response of crystalline cellulose Iβ

(2011) Qiong Zhang et al.   CELLULOSE

Analysis of Twisting of Cellulose Nanofibrils in Atomistic Molecular Dynamics Simulations

(2011) Sami Paavilainen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Temperature Behavior of Cellulose I

(2011) James F. Matthews et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamics of Cellulose Solvation in Water and the Ionic Liquid 1-Butyl-3-Methylimidazolim Chloride

(2011) Adam S. Gross et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nanostructure of cellulose microfibrils in spruce wood

(2011) A. N. Fernandes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Applications of computational science for understanding enzymatic deconstruction of cellulose

(2010) Gregg T Beckham et al.   CURRENT OPINION IN BIOTECHNOLOGY

Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose Iβ

(2008) Yoshiharu Nishiyama et al.   BIOMACROMOLECULES

Dynamics of Cellulose−Water Interfaces:  NMR Spin−Lattice Relaxation Times Calculated from Atomistic Computer Simulations

(2008) Malin Bergenstråhle et al.   JOURNAL OF PHYSICAL CHEMISTRY B