title: Low-energy electron scattering by cellulose and hemicellulose components.
abstract: We report elastic integral, differential and momentum transfer cross sections for low-energy electron scattering by the cellulose components β-D-glucose and cellobiose (β(1 → 4) linked glucose dimer), and the hemicellulose component β-D-xylose. For comparison with the β forms, we also obtain results for the amylose subunits α-D-glucose and maltose (α(1 → 4) linked glucose dimer). The integral cross sections show double peaked broad structures between 8 eV and 20 eV similar to previously reported results for tetrahydrofuran and 2-deoxyribose, suggesting a general feature of molecules containing furanose and pyranose rings. These broad structures would reflect OH, CO and/or CC σ* resonances, where inspection of low-lying virtual orbitals suggests significant contribution from anion states. Though we do not examine dissociation pathways, these anion states could play a role in dissociative electron attachment mechanisms, in case they were coupled to the long-lived π* anions found in lignin subunits [de Oliveira et al., Phys. Rev. A, 2012, 86, 020701(R)]. Altogether, the resonance spectra of lignin, cellulose and hemicellulose components establish a physical-chemical basis for electron-induced biomass pretreatment that could be applied to biofuel production.
authors.affiliation: Laboratório Nacional de Ciência e Tecnologia do Bioetanol (CTBE/CNPEM), CP 6170, 13083-970, Campinas, SP, Brazil.
authors.forename: Eliane M
authors.initials: EM
authors.lastname: de Oliveira
authors.forename: Romarly F
authors.initials: RF
authors.lastname: da Costa
authors.forename: Sergio d'A
authors.initials: Sd
authors.lastname: Sanchez
authors.forename: Alexandra P P
authors.initials: AP
authors.lastname: Natalense
authors.forename: Márcio H F
authors.initials: MH
authors.lastname: Bettega
authors.forename: Marco A P
authors.initials: MA
authors.lastname: Lima
authors.forename: Márcio T do N
authors.initials: MT
authors.lastname: Varella
mesh_terms: D018533:Biomass; D002482:Cellulose / Q000737:chemistry*; D003855:Deoxyribose / Q000737:chemistry; D004583:Electrons; D005663:Furans / Q000737:chemistry; D008956:Models, Chemical; D011134:Polysaccharides / Q000737:chemistry*
chemical_list: D005663:Furans; D011134:Polysaccharides; C018674:tetrahydrofuran; D003855:Deoxyribose; C007916:hemicellulose; D002482:Cellulose