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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Shape resonance spectra of lignin subunits

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Author(s):
de Oliveira, Eliane M. [1] ; Sanchez, Sergio d'A. [2] ; Bettega, Marcio H. F. [2] ; Natalense, Alexandra P. P. [1] ; Lima, Marco A. P. [1, 3] ; Varella, Marcio T. do N. [4]
Total Authors: 6
Affiliation:
[1] Lab Nacl Ciencia & Tecnol Bioetanol CTBE CNPEM, BR-13083970 Campinas, SP - Brazil
[2] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana - Brazil
[3] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP - Brazil
[4] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo - Brazil
Total Affiliations: 4
Document type: Journal article
Source: Physical Review A; v. 86, n. 2 AUG 20 2012.
Web of Science Citations: 17
Abstract

We report integral cross sections for elastic electron scattering by the lignin subunits phenol, guaiacol, and p-coumaryl alcohol. Our calculations employed the Schwinger multichannel method with pseudopotentials and indicate three to four pi{*} shape resonances for each of these systems, suggesting that low-energy electrons could efficiently transfer energy into the lignin matrix. We also discuss dissociation mechanisms based on the calculated cross sections, available experimental data, virtual orbital analysis, and the knowledge on electron interactions with biomolecules. Our results point out a physical-chemical basis for electron-driven biomass delignification. The latter would be an essential step for efficient biofuel production from lignocellulosic materials. (AU)

FAPESP's process: 08/58034-0 - Processing of sugarcane cellulose employing atmospheric pressure plasmas
Grantee:Marco Aurelio Pinheiro Lima
Support type: Program for Research on Bioenergy (BIOEN) - Thematic Grants