The Brazilian Bioethanol Science and Technology Laboratory (CTBE) publications printed on 2009 and 2008 and indexed

by Web of Sciences (www.isiwebofknowledge.com) are listed below in chronological order. Criteria for articles selection Fill (CTBE OR Bioethanol OR Bioetanol) AND Brazil in the Address Search form. Total of CTBE Journal Articles 6.

6. Electron collisions with the CH(2)O-H(2)O complex Author(s): Freitas, TC; Lima, MAP; Canuto, S; Bettega, MHF | E-mail: maplima@bioetanol.org.br Source: PHYSICAL REVIEW A Volume: 80 Issue: 6 Article Number: 062710 | DOI: 10.1103/PhysRevA.80.062710 | Published: DEC 2009 Abstract: We report cross sections for elastic collisions of low-energy electrons with the CH(2)OH(2)O complex. We employed the Schwinger multichannel method with pseudopotentials in the staticexchange and in the static-exchangepolarization approximations for energies from 0.1 to 20 eV. We considered four different hydrogen-bonded structures for the complex that were generated by classical Monte Carlo simulations. Our aim is to investigate the effect of the water molecule on the pi* shape resonance of formaldehyde. Previous studies reported a pi* shape resonance for CH(2)O at around 1 eV. The resonance positions of the complexes appear at lower energies in all cases due to the mutual polarization between the two molecules. This indicates that the presence of water may favor dissociation by electron impact and may lead to an important effect on strand breaking in wet DNA by electron impact. Full Text: http://pra.aps.org/abstract/PRA/v80/i6/e062710 Addresses: [Freitas, TC] Univ Fed Parana, Tecnol Construcao Instrumentos Musicais Luteria, BR80020300 Curitiba, Parana, Brazil [Freitas, TC; Bettega, MHF] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil [Lima, MAP] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil [Lima, MAP] Ctr Ciencia & Tecnol Bioetanol CTBE, BR-13083970 Campinas, SP, Brazil [Canuto, S] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil

5. Optical emission spectroscopy diagnostics of an atmospheric pressure direct current microplasma jet Author(s): Sismanoglu, BN; Amorim, J; Souza-Correa, JA; Oliveira, C; Gomes, MP | E-mail: jayr.amorim@bioetanol.org.br Source: SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY Volume: 64 Issue: 11-12 Pages: 1287-1293 | DOI: 10.1016/j.sab.2009.10.006 | Published: NOV-DEC 2009 Abstract: This paper is about the use of optical emission spectroscopy as a diagnostic tool to

determine the gas discharge parameters of a direct current (98% Ar-2% H(2)) non-thermal microplasma jet, operated at atmospheric pressure. The electrical and optical behaviors were studied to characterize this glow discharge. The microplasma jet was investigated in the normal and abnormal glow regimes, for current ranging from 10 to 130 mA, at similar to 220 V of applied voltage for copper cathode. OH (A (2)Sigma(+), v = 0 -> X (2)Pi, v' = 0) rotational bands at 306.357 nm and also the 603.213 nm Ar I line, which is sensitive to van der Waals broadening, were used to determine the gas temperature. which ranges from 550 to 800 K. The electron number densities, ranging from 6.0 x 10(14) to 1.4 x 10(15) cm(-3), were determined through a careful analysis of the main broadening mechanisms of the H(beta) line. From both 603.213 nm and 565.070 nm Ar I line broadenings, it was possible to obtain simultaneously electron number density and temperature (similar to 8000 K). Excitation temperatures were also measured from two methods: from two Cu I lines and from Boltzmann-plot of 4p-4s and 5p-4s Ar I transitions. By employing H, line, the hydrogen atoms' H temperature was estimated (similar to 18,000 K) and found to be surprisingly hotter than the excitation temperature. Full Text: http://www.sciencedirect.com/science/article/pii/S0584854709003279 Addresses: [Sismanoglu, BN; Oliveira, C; Gomes, MP] Inst Technol Aeronaut, Dept Fis, BR12228900 Sao Jose Dos Campos, SP, Brazil [Amorim, J; Souza-Correa, JA] Ctr Ciencia Tecnol Bioetanol CTBE, BR-13083970 Campinas, SP, Brazil

4. Expression, purification, crystallization and preliminary crystallographic analysis of an endo-1,5-alpha-L-arabinanase from hyperthermophilic Thermotoga petrophila Author(s): Squina, FM; Prade, RA; Wang, HL; Murakami, MT | E-mail: fabio.squina@bioetanol.org.br Source: ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS Volume: 65 Pages: 902-905 | DOI: 10.1107/S1744309109029844 | Published: SEP 2009 Abstract: The endo-1,5-alpha-L-arabinanases belonging to glycoside hydrolase family 43 are of great industrial interest for use in food technology, organic synthesis and biofuel production owing to their ability to catalyze the hydrolysis of alpha-1,5-arabinofuranosidic bonds in arabinose-containing polysaccharides. In this work, Thermotoga petrophila endo-1,5-alpha-L-arabinanase, a GH43-family member, has been cloned, overexpressed, purified and crystallized. Single crystals were obtained from a solution containing 0.1 M MES buffer pH 6.5, 0.8 M ammonium sulfate, 0.1 M EDTA, 0.1 M lproline and 5%(v/v) dioxane. X-ray diffraction data were collected to a resolution of 2.86 angstrom using synchrotron radiation and the diffraction pattern was indexed in the tetragonal space group P422, with unit-cell parameters a = b = 83.71, c = 408.25 angstrom. Full Text: http://scripts.iucr.org/cgi-bin/paper?S1744309109029844 Addresses: [Murakami, MT] Brazilian Assoc Synchrotron Light Technol, Ctr Struct Mol Biol, BR13083970 Campinas, SP, Brazil [Prade, RA; Wang, HL] Oklahoma State Univ, Dept Microbiol & Mol Genet, Stillwater, OK 74078 USA [Squina, FM] Brazilian Assoc Synchrotron Light Technol, Bioethanol Sci & Technol Ctr, BR-13083970 Campinas, SP, Brazil

3. Low-energy electron collisions with ethane Author(s): Bettega, MHF; da Costa, RF; Lima, MAP | E-mail: maplima@bioetanol.org.br Source: BRAZILIAN JOURNAL OF PHYSICS Volume: 39 Issue: 1 Pages: 69-73 | Published: MAR 2009

Abstract: We employed the Schwinger multichannel method to compute elastic cross sections for low-energy electron collisions with ethane (C(2)H(6)). The calculations were carried out in the staticexchange and static-exchange plus polarization approximations for energies up to 12 eV. Our integral cross section shows good agreement with experimental data and with theoretical results for energies above 5 eV. There are some differences for energies below 5 eV between our results and the available experimental and theoretical results. Our differential cross sections also agree well with the experiment and with theory for energies above 5 eV; below this energy our results agree in shape, but are smaller than the available experimental and theoretical results. We discuss possible reasons for these discrepancies. We found a broad structure in the integral cross section around 8.5 eV and also a Ramsauer-Townsend minimum around 0.2 eV. These results are in agreement with the experimental observations and theoretical results. Full Text: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332009000100013 Addresses: [Bettega, MHF] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil [da Costa, RF] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Sao Paulo, Brazil [Lima, MAP] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil [Lima, MAP] Ctr Ciencia & Tecnol Bioetanol CTBE, BR-13083970 Campinas, SP, Brazil

2. Low-energy electron collisions with acetic acid Author(s): Freitas, TC; Varella, MTD; da Costa, RF; Lima, MAP; Bettega, MHF | E-mail: maplima@bioetanol.org.br Source: PHYSICAL REVIEW A Volume: 79 Issue: 2 Article Number: 022706 | DOI: 10.1103/PhysRevA.79.022706 | Published: FEB 2009 Abstract: We present cross sections for elastic collisions of low-energy electrons with acetic acid. We employed the Schwinger multichannel method with pseudopotentials in the static-exchange and staticexchange plus polarization approximations, for energies ranging from 0.1 to 10 eV. We found a pi(*) shape resonance around 1.7 eV, corresponding to the A(') symmetry of the C(s) group. This resonant state was assigned to the experimental dissociative electron attachment peak at 1.7 eV yielding CH(3)COO(-)+H. We also performed a series of electronic structure calculations using a small basis set for acetic, formic, and trifluoroacetic acids, which exhibit a similar behavior with respect to the dissociative electron attachment. We believe that hydrogen elimination triggered off by electron capture into a pi(*) resonance could be a general property of carboxylic acids. Full Text: http://pra.aps.org/abstract/PRA/v79/i2/e022706 Addresses: [Freitas, TC; Bettega, MHF] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil [Varella, MTD; da Costa, RF] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Sao Paulo, Brazil [Lima, MAP] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil [Lima, MAP] Ctr Ciencia & Tecnol Bioetanol CTBE, BR-13083970 Campinas, SP, Brazil

1. Elastic scattering of slow electrons by n-propanol and n-butanol Author(s): Khakoo, MA; Muse, J; Silva, H; Lopes, MCA; Winstead, C; McKoy, V; de Oliveira, EM; da Costa, RF; Varella, MTD; Bettega, MHF; Lima, MAP | E-mail: maplima@bioetanol.org.br Source: PHYSICAL REVIEW A Volume: 78 Issue: 6 Article Number: 062714 | DOI: 10.1103/PhysRevA.78.062714 | Published: DEC 2008

Abstract: We report measured and calculated cross sections for elastic scattering of low-energy electrons by the alcohols n-propanol and n-butanol in the gas phase. The measurements were carried out using the relative-flow method with an aperture source rather than a conventional tube or capillaryarray source, eliminating the need to know molecular diameters. The calculations employed two different implementations of the Schwinger multichannel variational method and included polarization effects. The differential cross sections are dominated by strong forward scattering due to the molecules' large electric dipole moments, but near 10 eV, they display structure at intermediate angles that is probably associated with shape resonances, notably a pronounced f-wave scattering pattern. Overall agreement between the measured and calculated results is fair. We compare the cross sections of these larger alcohols to those of methanol and ethanol, as well as to those of alkanes. Full Text: http://pra.aps.org/abstract/PRA/v78/i6/e062714 Addresses: [Khakoo, MA; Muse, J] Calif State Univ Fullerton, Dept Phys, Fullerton, CA 92834 USA [Silva, H; Lopes, MCA] Univ Fed Juiz de Fora, Dept Fis, ICE, BR-36036330 Juiz De Fora, MG, Brazil [Winstead, C; McKoy, V] CALTECH, AA Noyes Lab Chem Phys, Pasadena, CA 91125 USA [de Oliveira, EM; da Costa, RF; Lima, MAP] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR13083970 Campinas, SP, Brazil [Varella, MTD] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210170 Sao Paulo, Brazil [Bettega, MHF] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil [Lima, MAP] Ctr Ciencia & Tecnol Bioetanol CTBE, BR-13083970 Campinas, SP, Brazil