Isto Heiskanen

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

AbstractTransformation of cellulose into monosaccharides can be achieved in a chemical process performed by a special group of enzymes known as cellulases. We have used atomistic molecular dynamics simulations to study endoglucanase II (Cel5A) that is one of the proteins in this group. Based on the atomistic simulation results, we discuss how the Cel5A enzyme interacts with cellulose fibrils comprised of both crystalline and amorphous regions. We show that the enzyme’s carbohydrate-binding domain prefers to interact with crystalline regions of cellulose, while the catalytic domain has a high affinity to the amorphous regions of fibrils. In particular, through electrostatic interactions the catalytic domain attracts loose glucose chains to its catalytic cleft. The atomistic details of the enzyme–cellulose interaction are presented and the implications for practical applications are briefly discussed.

Characterization of endoglucanase rich Trichoderma reesei cellulase mixtures and their effect on alkaline solubility of dissolving pulp

Dissolving grade pulps are used to manufacture regenerated cellulosic fibres. One promising process for the production of regenerated fibres utilises endoglucanse rich cellulases in the modification of dissolving pulp into alkaline soluble form. The aim of this paper was to characterise cellulases produced by Trichoderma reesei that are available in large quantities and study their effect on the dissolving grade softwood pulp, especially on its alkaline solubility. All the studied cellulases had endoglucanse activity and they decreased the intrinsic viscosity of the pulp. The degradation of cellulose into solubilised sugars increased with the cellulases containing also cellobiohydrolases. The monocomponent endoglucanases enhanced alkaline solubility of the pulp more than the multicomponent cellulases and produced alkaline solutions with higher fluidity. The studies showed that the type of the cellulases in the enzyme mixture has significant effect on the amount of solubilised sugars during the enzyme treatment and on the alkaline solubility of the pulp.

The effect of polyacrylic acid and reaction conditions on nanocluster formation of precipitated calcium carbonate on microcellulose

The precipitation of micro- and nanoparticles of calcium carbonate onto lignocellulosic microfibers was investigated at different microfiber concentrations with and without polyacrylic acid (PAA), i.e. a polymer commonly used to form polymer-induced liquid precursors of CaCO3. Concentrations of PAA, Ca(OH)2, CO2 and microfiber were varied in order to study the impact of reaction conditions on PCC formation in a batch reactor operated at ambient temperature. High resolution scanning electron micrographs of the samples show that both microfiber concentration and PAA dosage affected the nucleation and crystal growth of PCC filler on cellulosic fiber. Interestingly, at higher microfiber concentrations, larger amount of nano-sized spherical crystals were formed on the microfibers. A higher dosage of PAA, on the other hand, resulted in less nucleation on the microfiber, suggesting a preferential bulk nucleation mechanism. A higher concentration of PAA during the precipitation also led to the formation and stabilization of amorphous CaCO3, which was supported by SEM images and XRD analysis (lack of characteristic crystal structure).