Polarization Effects On Electronic Excitation Of Molecules By Low-energy Electron Impact: Study On E- -furan Scattering

The Schwinger multichannel method is applied to study the influence of polarization effects on the electronic excitation of the furan molecule by low-energy electron impact. We discuss the importance of inclusion of these effects through the comparison of theoretical results for the electronic excitation of the B3 2 state of furan obtained with and without the proper treatment of the polarization of the target. The electron-furan scattering presents two prominent shape resonances in the A2 2 and B2 1 symmetries at around the electronic excitation threshold of the B3 2 state (3.7 eV). At this low-energy, the inclusion of polarization effects in the calculation moves to lower energies the resonances positions obtained either in the close-coupling or in the static-exchange level of approximation. This phenomenon strongly influences the electronic excitation process. The present results show that a simple close-coupling calculation cannot be applied for molecular systems with low-energy electronic excitation thresholds around misplaced resonances. © 2008 The American Physical Society.771Boudaïffa, B., Cloutier, P., Hunting, D., Huels, M.A., Sanche, L., (2000) Science, 287, p. 1658. , SCIEAS 0036-8075 10.1126/science.287.5458.1658Sanche, L., (2005) Eur. Phys. J. D, 35, p. 367. , EPJDF6 1434-6060 10.1140/epjd/e2005-00206-6Martin, F., Burrow, P.D., Cai, Z., Cloutier, P., Hunting, D., Sanche, L., (2004) Phys. Rev. Lett., 93, p. 068101. , PRLTAO 0031-9007 10.1103/PhysRevLett.93.068101Zecca, A., Perazzolli, C., Brunger, M.J., (2005) J. Phys. B, 38, p. 2079. , 0022-3700Mozejko, P., Sanche, L., (2005) Radiat. Phys. Chem., 73, p. 77. , RPCHDM 0969-806X 10.1016/j.radphyschem.2004.10.001König, C., Kopyra, J., Bald, I., Illenberger, E., (2006) Phys. Rev. Lett., 97, p. 018105. , PRLTAO 0031-9007 10.1103/PhysRevLett.97.018105Winstead, C., McKoy, V., (2006) J. Chem. Phys., 125, p. 244302. , JCPSA6 0021-9606 10.1063/1.2424456Winstead, C., McKoy, V., (2006) J. Chem. Phys., 125, p. 074302. , JCPSA6 0021-9606 10.1063/1.2263824Bouchiha, D., Gorfinkiel, J.D., Caron, L.G., Sanche, L., (2006) J. Phys. B, 39, p. 975. , 0022-3700Trevisan, C.S., Orel, A.E., Rescigno, T.N., (2006) J. Phys. B, 39, p. 255. , 0022-3700Colyer, C.J., Vizcaino, V., Sullivan, J.P., Brunger, M.J., Buckman, S.J., (2007) New J. Phys., 9, p. 41. , NJOPFM 1367-2630 10.1088/1367-2630/9/2/041Bettega, M.H.F., Lima, M.A.P., (2007) J. Chem. Phys., 126, p. 194317. , JCPSA6 0021-9606 10.1063/1.2739514Fleig, T., Knecht, S., Hättig, C., (2007) J. Phys. Chem. A, 111, p. 5482. , 1089-5639Modelli, A., Burrow, P.W., (2004) J. Phys. Chem. A, 108, p. 5721. , JPCAFH 1089-5639 10.1021/jp048759aSulzer, P., Ptasinska, S., Zappa, F., Mielewska, B., Milosavljevic, A.R., Scheier, P., Märk, T.D., Illenberger, E., (2006) J. Chem. Phys., 125, p. 044304. , JCPSA6 0021-9606 10.1063/1.2222370Palmer, M.H., Walker, I.C., Ballard, C.C., Guest, M.F., (1995) Chem. Phys., 192, p. 111. , CMPHC2 0301-0104 10.1016/0301-0104(94)00386-OTakatsuka, K., McKoy, V., (1984) Phys. Rev. A, 30, p. 1734. , PLRAAN 1050-2947 10.1103/PhysRevA.30.1734Bettega, M.H.F., Ferreira, L.G., Lima, M.A.P., (1993) Phys. Rev. A, 47, p. 1111. , PLRAAN 1050-2947 10.1103/PhysRevA.47.1111Da Costa, R.F., Da Paixão, F.J., Lima, M.A.P., (2005) J. Phys. B, 38, p. 4363. , 0022-3700Bachelet, G.B., Hamann, D.R., Schlüter, M., (1982) Phys. Rev. B, 26, p. 4199. , PRBMDO 0163-1829 10.1103/PhysRevB.26.4199Bettega, M.H.F., Natalense, A.P.P., Lima, M.A.P., Ferreira, L.G., (1996) Int. J. Quantum Chem., 60, p. 821. , 0020-7608Chaudhuri, P., Varella N. Do, M.T., De Carvalho, C.R.C., Lima, M.A.P., (2004) Phys. Rev. A, 69, p. 042703. , PLRAAN 1050-2947 10.1103/PhysRevA.69.042703Hunt, W.J., Goddard, W.A., (1969) Chem. Phys. Lett., 3, p. 414. , CHPLBC 0009-2614 10.1016/S0009-2614(99)00340-1Wan, J., Meller, J., Hada, M., Ehara, M., Nakatsujia, H., (2000) J. Chem. Phys., 113, p. 7853. , JCPSA6 0021-9606 10.1063/1.1316034Giuliani, A., Hubin-Franskin, M.-J., (2001) Int. J. Mass Spectrom., 205, p. 163. , 1387-3806Allan, M., Bauschlicher, C.W., (1980) J. Chem. Phys., 72, p. 880. , JCPSA6 0021-9606 10.1063/1.439243Winstead, C., McKoy, V., Bettega, M.H.F., (2005) Phys. Rev. A, 72, p. 042721. , PLRAAN 1050-2947 10.1103/PhysRevA.72.04272

Electron Scattering From Molecules: Applications Of The Schwinger Multichannel Method To E--co And E--c2h 4 Collisions

To illustrate our recent efforts to obtain electronic excitation cross sections of molecules by electron impact, we present in this paper results for the X 1Σ a 3Π and A 1Π transitions of CO obtained with the Schwinger multichannel method. Our results are in good agreement with other theoretical calculations, although not so good when compared with experiments. We also discuss the importance of inclusion of polarization effects to obtain electronic excitation cross sections of some molecules through an example using the C2H4 molecule, which has a triplet state with a low-energy threshold. Finally, we present a very simple rule to estimate integral electronic excitation cross sections using the differential cross section (DCS) at 900, which can be useful to experimentalists using apparatus with difficulties to measure the DCS's at angles around 0 and 180 degrees. We show its efficiency for the present electronic excitation of the C2H4 molecule by electron impact. © 2007 IOP Publishing Ltd.881Garscadden, A., (1992) Z. Phys., 24 (2), pp. 97-99Boudaïffa, B., Cloutier, P., Hunting, D., Huels, M.A., Sanche, L., (2000) Science, 287 (5458), pp. 1658-1660Da Costa, R.F., Da Paixão, F.J., Map, L., (2004) J. Phys. B: At. Mol. Phys., 37 (6), pp. 129-L135Da Costa, R.F., Da Paixão, F.J., Map, L., (2005) J. Phys. B: At. Mol. Phys., 38 (24), pp. 4363-4378Da Costa, R.F., Map, L., (2006) Int. J. Quantum Chem., 106 (13), pp. 2664-2676Nonum Da Costa, R.F., Map, L., (2007) Phys. Rev., 75, p. 022705Sun, Q., Winstead, C., McKoy, V., Lima, M.A.P., (1992) J. Chem. Phys., 96 (5), pp. 3531-3535Rescigno, T.N., Schneider, B.I., (1992) Phys. Rev., 45 (5), pp. 2894-2902Takatsuka, K., McKoy, V., (1981) Phys. Rev., 24 (5), pp. 2473-2480Takatsuka, K., McKoy, V., (1984) Phys. Rev., 30 (4), pp. 1734-1740Chaudhuri, P., Varella Do, T.M.N., Carvalho, C.R.C., Map, L., (2004) Nucl. Instrum. Methods Phys. Res., 221, pp. 69-75Chaudhuri, P., Varella Do, T.M.N., Carvalho, C.R.C., Map, L., (2004) Phys. Rev., 69, p. 042703Lane, N.F., (1980) Rev. Mod. Phys., 52 (1), pp. 29-119Sun, Q.Y., Winstead, C., McKoy, V., (1992) Phys. Rev., 46 (11), pp. 6987-6994Morgan, L.A., Tennyson, J., (1993) J. Phys. B: At. Mol. Opt. Phys., 26 (15), pp. 2429-2441Lee, M.-T., MacHado, A.M., Fujimoto, M.M., MacHado, L.E., Brescansin, L.M., (1996) J. Phys. B: At. Mol. Opt. Phys., 29 (18), pp. 4285-4301Furlong, J.M., Newell, W.R., (1996) J. Phys. B: At. Mol. Opt. Phys., 29 (2), pp. 331-338Leclair, L.R., Trajmar, S., (1996) J. Phys. B: At. Mol. Opt. Phys., 29 (22), pp. 5543-5566Zetner, P.W., Kanik, I., Trajmar, S., (1998) J. Phys. B: At. Mol. Opt. Phys., 31 (10), pp. 2395-2413Trajmar, S., Szabo, A., Ostlund, N.S., (1989) Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, pp. 194-197Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P., Van Veen, E.H., (1976) Chem. Phys. Lett., 41 (3), p. 540Asmis, K.R., Allan, M., (1997) J. Chem. Phys., 106 (17), pp. 7044-7046Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P., Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P.

Funções cognitivas, autoestima e autoconceito de crianças com transtorno de déficit de atenção e hiperatividade

The study aimed to compare the performance of children with ADHD and children without learning and/or attention difficulties in tasks of visual attention, executive functions, self-esteem and self--concept. Participants were34 children, 17 with ADHD and 17in the control group, with a mean age of 9.92 years. For the evaluation, the following tests were used: Cancellation Test, Trail Making Test, Stroop Color Word Test, Tower of London, Children's Depression Inventory, Self-Esteem Multidimensional Scale, and Children's Self-Concept Scale. The results indicated that children with ADHD showed worse out comes in attention and executive functions evaluations, in the belief of doing things the wrong way, in feelings of guilt and in low self-esteem, both in the general result as well as in self-perception.The study aimed to compare the performance of children with ADHD and children without learning and/or attention difficulties in tasks of visual attention, executive functions, self-esteem and self--concept. Participants were34 children, 17 with ADHD and 1272331340sem informaçãosem informaçãoAlbert, J., López-Martín, S., Fernández-Jaén, A., Carretié, L., Alteraciones emocionales en el trastorno por déficit de atención/hiperactividad: datos existentes y cuestiones abiertas (2008) Revista de Neurología, 47, pp. 39-45(2002) Diagnostic and statistical manual of mental disorders (DSM-IV-TR), , American Psychiatric Association (4th ed.) Washington, DC: AuthorBarkley, R.A., (2008) Transtorno de déficit de atenção/ hiperatividade: Manual para diagnóstico e tratamento, , (Ed.) (3. ed.). Porto Alegre, RS: ArtmedBerwid, O.G., Kera, E.A.C., Marks, D.J., Santra, A., Bender, H.A., Halperin, J.M., Sustained attention and response inhibitionin young children at risk for attention deficit/hyperactivity disorder (2005) Journal of Child Psychology and Psychiatry, 46 (11), pp. 1219-1229Biederman, J., Attention-deficit/hyperactivity disorder: A selective overview (2005) Biological Psychiatry, 57, pp. 1215-1220Biederman, J., Faraone, S.V., Milberger, S., Curtis, S., Chen, L., Marrs, A., Spencer, T., Predictors of persistence and remission of ADHD: Results from a four-year prospective follow-up study of ADHD children (1996) Journal of American Academic Child Adolescent Psychiatry, 38, pp. 966-975Biederman, J., Mick, E., Faraone, S.V., Braaten, E., Doyle, A., Spencer, T., Johnson, M.A., Influence of gender on attention deficit hyperactivity disorder in children referred to a psychiatric clinic (2002) American Journal Psychiatry, 159, pp. 36-42Cardo, E., Nevot, A., Redondo, M., Melero, A., Azua, B., Banda, G.G., Servera, M., Trastorno por déficit de atención/ hiperactividad: ?un patrón evolutivo? (2010) Revista de Neurología, 50 (SUPL. 3), pp. S143-S147Castellanos, F.X., Proal, E., Large-scale brain systems in ADHD: Beyond the prefrontal-striatal model (2012) Trends in Cognitive Sciences, 16 (1), pp. 17-26Chan, E., Mattingley, J.B., Huang-Pollock, C., English, T., Hester, R., Vance, A., Bellgrove, M.A., Abnormal spatial asymmetry of selective attention in ADHD (2009) Journal of Child Psychology and Psychiatry, 50 (9), pp. 1064-1072Ciasca, S.M., Rodrigues, S.D., Salgado, C.A., (2010) TDAH: Transtorno do Déficit de Atenção e Hiperatividade, pp. 23-36. , (Eds.) Rio de Janeiro, RJ: RevinterDuPaul, G.J., Stoner, G., (2007) TDAH nas escolas: Estratégias de avaliação e intervenção, , São Paulo, SP: M. BooksDupuy, F.E., Barry, R.J., Clarke, A.R., McCarthy, R., Selikowitz, M., Sex differences between the combined and inattentive types of attention-defi cit/hyperactivity disorder: An EEG perspective (2013) International Journal of Psychophysiology, 89 (3), pp. 320-327Eiraldi, R., Power, T., Karustis, J., Goldstein, S., Assessing ADHD and comorbid disorders in children: The Child Behavior Checklist and the Devereux Scales of Mental Disorders (2000) Journal of Clinical Child Psychology, 29 (1), pp. 3-16. , (March)Fernandez-Mayoralas, D.M., Fernandez-Jaen, A., Garcia-Segura, J.M., Quinones-Tapia, D., Neuroimagen en el transtorno por defi cit de atencion/hiperactividad (2010) Revista de Neurología, 50 (SUPL. 3), pp. S125-S133Glass, K., Flory, K., Martin, A., Hankin, B., ADHD and comorbid conduct problems among adolescents: Associations with self-esteem and substance use (2011) Attention Defi cit Hyperactivity Disorder, 3, pp. 29-39Gobbita, M., (2003) Escala multidimensional de auto-estima (EMAE): Construção e validação com crianças e adolescentes brasileiro, , (Tese de doutorado, Centro de Ciências da Vida, Pontifícia Universidade Católica de Campinas, Campinas, SP, Brasil)Gobitta, M., Guzzo, R.S.L., Estudo inicial do Inventário de Auto-Estima (SEI) - Forma A (2002) Psicologia: Reflexão e Crítica, 15 (1), pp. 143-150Gouveia, V.V., Barbosa, G.A., Almeida, H.J.F., Gaião, A.A., Inventário de Depressão Infantil - CDI: Estudo de adaptação com escolares de João Pessoa (1995) Jornal Brasileiro de Psiquiatria, 44, pp. 345-349Kovacs, M., (1992) Children Depression Inventory CDI: Manual, , New York: Multi-Health SystemsKrauel, K., Duzel, E., Hinrichs, H., Rellum, T., Santel, S., Baving, L., Emotional memory in ADHD patients with and without comorbid ADD/CD (2009) Journal Neural Transmission, 116, pp. 117-120Lima, R.F., Azoni, C.A.S., Ciasca, S.M., Attentional performance and executive functions in children with learning difficulties (2011) Psicologia: Reflexão e Crítica, 24 (4), pp. 685-691Lima, R.F., Travaini, P.P., Ciasca, S.M., Amostra de desempenho de estudantes do ensino fundamental em testes de atenção e funções executivas (2009) Psicopedagogia, 26 (80), pp. 188-199López-Villalobos, J.A., Serrano-Pintado, I., Andrés-De Llano, J.M., Delgado Sánchez-Mateos, J., Alberola-López, S., Sánchez-Azón, M.I., Utilidad del test de Stroop en el trastorno por déficit de atención/hiperactividad (2010) Revista de Neurología, 50, pp. 333-340López-Villalobos, J.A., Serrano-Pintado, I., Delgado Sánchez--Mateos, J., Ruiz Sanz, F., Sánchez-Azón, M.I., Sacristán Martín, M.A., Transtorno por déficit de atención/ hiperactividad: perfi l intelectual y factor de independencia a la distracción (2007) Revista de Neurología, 44 (10), pp. 589-595Mattos, P., Serra-Pinheiro, M.A., Rohde, L.A., Pinto, D., Apresentação de uma versão em português para uso no Brasil do instrumento MTA-SNAP-IV de avaliação de sintomas de transtorno do déficit de atenção/hiperatividade e sintomas de transtorno desafi ador e de oposição (2006) Revista de Psiquiatria, 28 (3), pp. 290-297Miranda-Casas, A., Presentación-Herrero, M.J., Colomer-Diago, C., Roselló, B., Satisfacción con la vida de niños con trastorno por déficit de atención/hiperactividad: estudio de posibles factores de riesgo y de protección (2011) Revista de Neurología, 52 (SUPL. 1), pp. S119-S126Simão, A.N.P., (2004) Avaliação neuropsicológica em crianças com transtorno e déficit de atenção e hiperatividade, , (Dissertação de mestrado, Faculdade de Ciências Médicas, Universidade Estadual de Campinas, Campinas, SP, Brasil)Simão, A.N.P., (2008) Treino em solução de problemas com crianças que apresentam transtorno de déficit de atenção e hiperatividade, , (Tese de doutorado, Faculdade de Ciências Médicas, Universidade Estadual de Campinas, Campinas, SP, Brasil)Simão, A.N.P., Toledo, M.M., Ciasca, S.M., Transtornos de déficit de atenção e hiperatividade. (2010) TDAH: Transtorno do déficit de atenção e hiperatividade, pp. 23-36. , S. M. Ciasca, S. D. Rodrigues, & C. A. Salgado (Eds.), Rio de Janeiro, RJ: RevinterSisto, F.F., Martinelli, S.C., (2004) Escala de Autoconceito Infanto - Juvenil (EAC-IJ), , São Paulo, SP: VetorSpreen, O., Strauss, E., (1998) A compendium of neuropsychological tests- administration, norms and commentary, , New York: Oxford University PressTaanila, A.M., Hurtig, T.M., Miettunen, J., Ebeling, H.E., Moilanen, I.K., Association between ADHD symptoms and adolescents' psychosocial well-being: A study of the northern Finland Birth cohort 1986 (2009) International Journal of Circumpolar Health, 68 (2), pp. 133-144Toledo, M.M., (2006) Comparação do diagnóstico e resposta a um treino de atenção em crianças com os subtipos de transtorno e déficit de atenção/hiperatividade, , (Tese de doutorado, Faculdade de Ciências Médicas, Universidade Estadual de Campinas, Campinas, SP, Brasil)Tunstall, J.R., (1999) Improving the utility of Tower of London: A neuropsychological test of planning, , (Master's thesis of Philosophy, School of Applied Psychology, Faculty of Healthy Sciences, Griffith University, Queensland, Australia)Comparar o desempenho de crianças com TDAH e crianças sem queixas de aprendizagem e/ou atenção em tarefas de atenção visual, funções executivas, autoestima e autoconceito. Fizeram parte do estudo 34 crianças, sendo 17 com TDAH e 17 do grupo controle, co

Indexes Of Spatio-temporal Change To Reconstruct The Historical Evolution Of A Coastal Region - Case Study: São Sebastião Island - Sp

The coastal regions of Brazil have lost most of their distinct characteristics due to an intense, diverse, and long history of land use. The current scenario is the result of successive changes which have taken place since the colonization of Brazil. These changes should be taken into account in environmental planning since the decisions about the future depend on the understanding of past changes. In this regard, the aim of this study was to identify and quantify the spatio-temporal changes in land use in a coastal region, using principles of landscape ecology and scenario construction. The case study was the São Sebastião Island, divided into 61 watersheds, off the northern coast of São Paulo State (Brazil). The study involved the development and application of a methodology to interpret the historical dynamics of the island. The driving forces were identified and indexes of change were calculated to define the phases of occupation of the island. Five phases of occupation of the coastal landscape were mapped: preservation, conservation, regeneration, exploitation and urbanization. These phases represent a pattern of internal heterogeneity, sometimes positive (environmental conservation), and sometimes negative (environmental degradation).58SPEC. ISSUE 33747França, A.A., (1954) Ilha De São Sebastião: Estudo De Geografia Humana, , São Paulo: USPFujihara, M., Kikuchi, T., Changes in the landscape structure of the Nagara Watershed, central Japan (2005) Landscape and Urban Planning, 70, pp. 271-281Gibson, C.C., Ostrom, E., Anh, T.H., The concept of scale and the human dimension of global change: A survey (2000) Ecological Economics, 32, pp. 217-239Pedreira, B.C.C.G., Santos, R.F., Sensores emotos, escalas geográficas e análises espaciais orientados a planejamentos ambientais em áreas florestais (2003) Revista Do Instituto Florestal, São Paulo, 15 (2), pp. 81-96de Ilhabela, P.M., (2005) Plano Gestor De Turismo - Estância Balneária IlhabelaSantos, M.A., Santos, R.F., (2008) Construção De Cenários Por Análises Temporais E Métricas Espaciais, , Revista do Instituto FlorestalSantos, R.F., (2004) Planejamento Ambiental - Teoria E Prática, , São Paulo: Oficina de Texto(2008) Relatório Estadual De Acompanhamento Dos Objetivos De Desenvolvimento Do Milênio - 2008, , SEADE - FUNDAÇÃO SISTEMA ESTADUAL DE ANÁLISE DE DADOS. São Paulo: Imprensa Oficial do Estado de São PauloStefanov, W.L., Ramsey, M.S., Christensen, P.R., Monitoring urban land cover change: An expert system approach to land cover classification of semiarid to arid urban centers (2001) Remote Sensing of Environment, 77, pp. 173-185Turner, M.G., Gardner, R.H., Oneill, R.V., (2001) Landscape Ecology in Theory and Practice: Pattern and Process, p. 401. , New York: Springer-VerlagWeng, Y.C., Spatiotemporal changes of landscape pattern in response to urbanization (2007) Landscape and Urban Planning, 81, pp. 341-353Wilson, J.S., Clay, M., Martin, E., Stuckey, D., Vedder-Risch, K., Evaluating environmental influences of zoning in urban ecosystems with remote sensing (2003) Remote Sensing of Environment, 86, pp. 303-321Wu, J., Hobbs, R.J., (2007) Key Topics in Landscape Ecology, , Cambridge University Press. United Kingdo

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

8 págs.; 2 figs.; 2 tabs.We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented.D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. acknowledges the Brazilian agency CNPq for his “Special Visiting Professor” position at the Federal University of Juiz de Fora. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally R.F.C., M.T.doN.V, M.H.F.B, and M.A.P.L. also acknowledge support from CNPq, while M.T.doN.V. thanks FAPESPPeer Reviewe

Electronic Excitation Of The Lb2 State Of Furan By Electron Impact

We report on recent results obtained in studies involving electronically inelastic electron scattering from furan. In particular, we considered the electronic transition from ground state to the 1B2 excited state. The scattering calculations employed the Schwinger multichannel method implemented with pseudopotentials and were carried out up to a nine-state close-coupling plus polarization level of approximation.388PART 1Boudaïffa, B., Cloutier, P., Hunting, D., Huels, M.A., Sanche, L., (2000) Science, 287 (5458), p. 1658. , 10.1126/science.287.5458.1658 0036-8075Pan, X., Cloutier, P., Hunting, D., Sanche, L., (2003) Phys. Rev. Lett., 90 (20), p. 208102. , 10.1103/PhysRevLett.90.208102 0031-9007Huels, M.A., Boudaïffa, B., Cloutier, P., Hunting, D., Sanche, L., (2003) J. Am. Chem. Soc., 125 (15), p. 4467. , 10.1021/ja029527x 0002-7863Martin, F., Burrow, P.D., Cai, Z., Cloutier, P., Hunting, D., Sanche, L., (2004) Phys. Rev. Lett., 93 (6), p. 068101. , 10.1103/PhysRevLett.93.068101 0031-9007Sanche, L., (2005) Eur. Phys. J., 35 (2), p. 367. , 10.1140/epjd/e2005-00206-6 1434-6060 DFlicker, W.M., Mosher, O.A., Kuppermann, A., (1975) J. Chem. Phys., 64 (4), p. 1315. , 10.1063/1.432397 0021-9606Van Veen, E.H., (1976) Chem. Phys. Lett., 41 (3), p. 535. , 10.1016/0009-2614(76)85411-5 0009-2614Giuliani, A., Hubin-Franskin, M.J., (2001) Int. J. Mass Spectrom., 205 (1-3), p. 163. , 10.1016/S1387-3806(00)00318-3 1387-3806Motte-Tollet, F., Eustatiu, G., Roy, D., (1996) J. Chem. Phys., 105 (17), p. 7448. , 10.1063/1.472572 0021-9606Modelli, A., Burrow, P.D., (2004) J. Phys. Chem., 108 (26), p. 5721. , 10.1021/jp048759a 1089-5639 AMuftakhof, M.V., Mazunov, V.A., Khvostenko, V.I., (1990) Russian Chem. Bulletin, 39 (4), p. 831. , 10.1007/BF00960360 0568-5230Khvostenko, V.I., Vorob'Yov, A.S., Khvostenko, O.G., (1990) J. Phys. B: At. Mol. Opt. Phys., 23 (12), p. 1975. , 10.1088/0953-4075/23/12/008 0953-4075Muftakhof, M.V., Asfandiarov, N.L., Khvostenko, V.I., (1994) J. Electron Spectrosc. Relat. Phenom., 69 (2), p. 165. , 10.1016/0368-2048(94)02047-4 0368-2048Muftakhof, M.V., Mazunov, V.A., Takhistov, V.V., (1994) Russian Chem. Bulletin, 43 (6), p. 988. , 10.1007/BF01558063 1066-5285Dampc, M., Zubek, M., (2008) Int. J. Mass Spectrom., 277 (1-3), p. 52. , 10.1016/j.ijms.2008.04.010 1387-3806Sulzer, P., Ptasinska, S., Zappa, F., Mielewska, B., Milosavljevic, A.R., Scheier, P., Märk, T.D., Illenberger, E., (2006) J. Chem. Phys., 125 (4), p. 044304. , 10.1063/1.2222370 0021-9606Szmytkowski, C., Mozejko, P., Ptasinska-Denga, E., Sabisz, A., (2010) Phys. Rev., 82 (3), p. 032701. , 10.1103/PhysRevA.82.032701 1050-2947 ABettega, M.H.F., Lima, M.A.P., (2007) J. Chem. Phys., 126 (19), p. 194317. , 10.1063/1.2739514 0021-9606Khakoo, M.A., Muse, J., Ralphs, K., Da Costa, R.F., Bettega, M.H.F., Lima, M.A.P., (2010) Phys. Rev., 81 (6), p. 062716. , 10.1103/PhysRevA.81.062716 1050-2947 ADa Costa, R.F., Bettega, M.H.F., Lima, M.A.P., (2008) Phys. Rev., 77 (1), p. 012717. , 10.1103/PhysRevA.77.012717 1050-2947 ATakatsuka, K., McKoy, V., (1981) Phys. Rev., 24, p. 2437. , 0556-2791 ATakatsuka, K., McKoy, V., (1984) Phys. Rev., 30 (4), p. 1734. , 10.1103/PhysRevA.30.1734 0556-2791 ABettega, M.H.F., Ferreira, L.G., Lima, M.A.P., (1993) Phys. Rev., 47 (2), p. 1111. , 10.1103/PhysRevA.47.1111 1050-2947 A(1998) CRC Handbook of Chemistry and Physics, , 79th ed. ed Lide D R (Boca Raton: CRC)Bettega, M.H.F., Natalense, A.P.P., Lima, M.A.P., Ferreira, L.G., (1996) Int. J. Quantum Chem., 60 (4), p. 821. , 10.1002/(SICI)1097-461X(1996)60:43.0.CO;2-Z 0020-7608Dunning Jr., T.H., (1970) J. Chem. Phys., 53 (7), p. 2823. , 10.1063/1.1674408 0021-9606Bauschlicher, C.W., (1980) J. Chem. Phys., 72 (2), p. 880. , 10.1063/1.439243 0021-9606Winstead, C., McKoy, V., (1998) Phys. Rev., 57 (5), p. 3589. , 10.1103/PhysRevA.57.3589 1050-2947 AWinstead, C., McKoy, V., Bettega, M.H.F., (2005) Phys. Rev., 72 (4), p. 042721. , 10.1103/PhysRevA.72.042721 1050-2947 AChaudhuri, P., Varella, M.T.N., Carvalho, C.R.C., Lima, M.A.P., (2004) Nucl. Instrum. Methods Phys. Res., 221, p. 69. , 10.1016/j.nimb.2004.03.033 0168-583X BDa Costa, R.F., Da Paixão, F.J., Lima, M.A.P., (2005) J. Phys. B: At. Mol. Phys., 38 (24), p. 4363. , 0953-4075 003Communication, P., Fact, the Study Related with the Electronic Excitation of the 3B2 and 3A1 Excited States of Furan by Electron Impact Has Been Developed in A Collaborative Project Involving Several Groups from Brazil and One Group in the US

Electron Collisions With α-d -glucose And Β-d -glucose Monomers

The development of new alternative routes for production of second generation ethanol from sugarcane biomass poses a challenge to the scientific community. Current research in this field addresses the use of a plasma-based pretreatment of the lignocellulosic raw material. With the aim to provide a theoretical background for this experimental technique we investigate the role of low-energy electrons from the plasma in the rupture of the matrix of cellulosic chains. In this paper, we report calculated cross sections for elastic scattering of low-energy electrons by the α - and Β-D -glucose monomers. The calculations employed the Schwinger multichannel method with pseudopotentials and were carried out at the static-exchange and static-exchange plus polarization levels of approximation. Through the comparison of the results obtained with inclusion of polarization effects we discuss the influence of the different conformations of the hydroxyl group linked to the anomeric carbon on the resonance spectra of these molecules. Resonant structures appearing at different energies for α - and Β -glucose at the low-energy regime of impact energies can be understood as a fingerprint of an "isomeric effect" and suggest that distinct fragmentation mechanisms proceeding via σ* shape resonances may become operative depending on the glucose anomer under consideration. For energies above 15 eV the integral elastic cross sections are very similar for both monomers. Differential cross sections for the glucopyranose anomers considered in this work are typically dominated by a strong forward scattering due to the molecules' large electric dipole moments and, for energies close to the resonances' positions, they display particular features at the intermediate angular region, notably a pronounced f -wave scattering pattern, that are probably associated with the presence of those structures. © 2010 American Institute of Physics.13212Leite, R.C.D., Leal, M.R.L.V., Cortez, L.A.B., Griffin, W.M., Scandiffio, M.I.G., (2009) Energy, 34, p. 655. , ENEYDS 0360-5442,. 10.1016/j.energy.2008.11.001Amorim, J., Corr̂a, J.A.S., Oliveira, C.A., (2008), Patent No. 018080043419 (10 July)Oliveira, C., Souza Corr̂a, J.A., Gomes, M.P., Sismanoglu, B.N., Amorim, J., (2008) Appl. Phys. Lett., 93, p. 041503. , APPLAB 0003-6951,. 10.1063/1.2967016Garscadden, A., (1992) Z. Phys. D: At., Mol. 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Anadenanthera colubrina vell brenan : anti-candida and antibiofilm activities, toxicity and therapeutical action

We evaluated the antifungal and antibiofilm potential of the hydroalcoholic extract of bark from Anadenanthera colubrina (vell.) Brenan, known as Angico, against Candida spp. Antifungal activity was evaluated using the microdilution technique through the Minimum Inhibitory and Fungicide Concentrations (MIC and MFC). The antibiofilm potential was tested in mature biofilms formed by Candida species and analyzed through the counting of CFU/mL and scanning electron micrograph (SEM). In vivo toxicity and therapeutic action was evaluated in the Galleria mellonella model. The treatment with the extract, in low doses, was able to reduce the growth of planktonic cells of Candida species. MIC values range between 19.5 and 39 µg/mL and MFC values range between 79 and 625 µg/mL. In addition was able to reduce the number of CFU/mL in biofilms and to cause structural alteration and cellular destruction, observed via SEM. A. colubrina showed low toxicity in the in vivo assay, having not affected the viability of the larvae at doses below 100mg/kg and high potential in the treatment of C. albicans infection. Considering its high antifungal potential, its low toxicity and potential to treatment of infections in in vivo model, A. colubrina extract is a strong candidate for development of a new agent for the treatment of oral candidiasis33CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ552562/2011-

Bulk Viscous LRS Biachi-I Universe with variable GG and decaying Λ\Lambda

The present study deals with spatially homogeneous and totally anisotropic locally rotationally symmetric (LRS) Bianchi type I cosmological model with variable $G$ and $\Lambda$ in presence of imperfect fluid. To get the deterministic model of Universe, we assume that the expansion $(\theta)$ in the model is proportional to shear $(\sigma)$. This condition leads to $A=\ell B^{n}$, where $A$,\;$B$ are metric potential. The cosmological constant $\Lambda$ is found to be decreasing function of time and it approaches a small positive value at late time which is supported by recent Supernovae Ia (SN Ia) observations. Also it is evident that the distance modulus curve of derived model matches with observations perfectly.Comment: 11 pages, 4 figures and 1 table, Accepted for publication in Astrophysics and Space Scienc

The electron-furfural scattering dynamics for 63 energetically open electronic states

14 págs.; 15 figs.We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (CHO). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N) at either the static-exchange (N ch-SE) or the static-exchange-plus-polarisation (N ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections. ©2016 AIP Publishing LLCR.F.d.C., M.C.A.L., M.H.F.B., M.T.d.N.V., and M.A.P.L. acknowledge support from the Brazilian agency Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq). M.T.d.N.V. acknowledges support from Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP). D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Researcher Award. M.J.B. thanks the ARC for some financial support and also thanks CNPq for his “Special Visiting Professor” award at the Federal University of Juiz de Fora. G.G. thanks the Spanish Ministerio de Economia y Competitividad under Project No. FIS2012- 31230 and the European Union COST Action No. CM1301 for funding.Peer Reviewe