Revistas » History » Version 158
Version 157 (Allan Szu, 14 Jun 2016 14:15) → Version 158/426 (Allan Szu, 28 Jun 2016 15:45)
h1. Revistas
L. G. M. de Macedo and A. R. de Souza, *_Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO_*, Journal of Computational and Theoretical Nanoscience, 8, 38-42 (2011). doi; http://dx.doi.org/10.1166/jctn.2011.1655
M. C. Gomes, D. M. G. Leite, J. R. Sambrano, J.H. D. da Silva and A. R. de Souza, *_Thermodynamic and electronic study of Ga1-xMnxN Films. A theoretical study_*, Surface Science, 605, 1431-1437 (2011). doi: http://dx.doi.org/10.1016/j.susc.2011.05.007
N. L. Marana, J. Sambrano and A. R. de Souza, *_Propriedades eletrônicas, estruturais e constantes elásticas do ZnO_*, Química Nova (Impresso), 33, 810-815 (2010), doi: http://dx.doi.org/10.1590/S0100-40422010000400009
A.C. Gigante, D.J.C. Gomes, L.S. Lima, F.J. Caires, O. Treu-Filho and M. Ionashiro, *_Synthesis, thermal properties and spectroscopic study of solid mandelate of light trivalent lanthanides_*, Thermochimica Acta, 536, 6-14 (2012). doi: http://dx.doi.org/10.1016/j.tca.2012.02.019
F. J. Caires, L. S. Lima, C. T. Carvalho, A. B. Siqueira, Oswaldo Treu-Filho and M. Ionashiro, *_Thermal and spectroscopic data to investigate the oxamic acid, sodium oxamate and its compounds with some bivalent transition metal ions_*, J Therm Anal Calorim, doi: http://dx.doi.org/10.1007/s10973-011-1835-8
R.P. Simões, P.A. Venegas and D.F. Mello, *_Role of Interstitial Pinning in the Dynamical Phases of Vortices in Superconducting Films_*, J Supercond Nov Magn (2013) 26:2277–2279, doi: http://dx.doi.org/10.1007/s10948-012-1532-2
E. F. Oliveira, J. C. Roldao, B. Milián-Medina, F. C. Lavarda and J. Gierschner, _*Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series, Chemical Physics Letters*_, Volume 645, February 2016, Pages 169–173
F. J. Caires, L. S. Lima, D. J. C. Gomes, A. C. Gigante, O. Treu-Filho and M. Ionashiro, *_Thermal and spectroscopic studies of solid oxamate of light trivalent lanthanides_*, Journal of Thermal Analysis and Calorimetry (2013) 111:349–355, doi: http://dx.doi.org/10.1007/s10973-012-2220-y
D. A. Galico, B. B. Holanda, G. L. Perpetuo, E. Schnitzler, O. Treu-Filho, G. Bannach, *_Thermal and spectroscopic studies on solid Ketoprofen of lighter trivalent lanthanides_*, Journal of Thermal Analysis and Calorimetry (2012) 108:371–379 doi: http://dx.doi.org/10.1007/s10973-011-1866-1
P. R. Costa, M. L. Acencio and N. Lemke, *_A machine learning approach for genome-wide prediction of morbid and druggable human genes based on systems-level data_*, BMC Genomics. 2010 Dec 22;11 Suppl 5:S9. doi: http://dx.doi.org/10.1186/1471-2164-11-S5-S9.
Lemke, N. and Campbell, Ian A., *_Stretched-exponential behavior and random walks on diluted hypercubic lattices_*, Physical Review E, 84, 4 Part 1 (2011). doi: http://dx.doi.org/10.1103/PhysRevE.84.041126
T. C. Lourenco, J. M. Batista Jr, M. Furlan, Y. He, L. A. Nafie, C. C. Santana and Q. B.Cass, *_Albendazole sulfoxide enantiomers: Preparative chiral separation and absolute stereochemistry_*, Journal of Chromatography A, 1230 (2012) 61–65, doi: http://dx.doi.org/10.1016/j.chroma.2012.01.070
M. L. Acencio and N. Lemke; *_Towards the prediction of essential genes by integration of network topology, cellular localization and biological process information_*, Biomedcentral, 10, 290 (2009). [fonte: http://www.biomedcentral.com/1471-2105/10/290]
F. A. Garcia, P. A. Venegas, P. G. Pagliuso, C. Rettori, Z. Fisk, P. Schlottmann, and S. B. Oseroff, *_Thermally activated exchange narrowing of the Gd3+ ESR fine structure in a single crystal of Ce1-xGdxFe4P12 (x≈0.001) skutterudite_*, Physical Review B, 84, 125116 (2011). [fonte: http://prb.aps.org/abstract/PRB/v84/i12/e125116]
E. D. Leonel and Carl P. Dettmann, *_Recurrence of particles in static and time varying oval billiards_*, Physics Letters A, 03, 056 (2012). doi: http://dx.doi.org/10.1016/j.physleta.2012.03.056
E. D. Leonel and D. F M Oliveira, *_Parameter-space for a dissipative Fermi-Ulam model_*, Physical Review E, 13, 123012 (2011). doi: http://dx.doi.org/10.1088/1367-2630/13/12/123012
S. J. S. Franchi, A. V. G. Netto, A. E. Mauro, O. Treu-Filho, R. C. G. Frem, E. T. de Almeida, C. Torres and S. C. Lemos, *_Synthesis, characterization, thermal studies, and DFT calculations on Pd(II) complexes containing N-methylbenzylamine_*, J Therm Anal Calorim (2011) 106:391–397, doi: http://dx.doi.org/10.1007/s10973-011-1494-9
E. D. Leonel, D. R. da Costa and Carl P. Dettmann, *_Scaling invariance for the escape of particles from a periodically corrugated waveguide_*, Physics Letters, 376, 421-425 (2012), doi: http://dx.doi.org/10.1016/j.physleta.2011.11.027
D. F. T. de Sousa, R. N. C. Filho and E. D. Leonel, *_A dissipative Fermi Ulam model with two nonlinearities: boundary crisis and the parameter-space_* . Journal of Physics A. Physica A 392 (2013) 1762–1769, doi: http://dx.doi.org/10.1016/j.physa.2012.12.021
D. F.M. Oliveira, M. Robnik and E. D. Leonel, *_Statistical properties of a dissipative kicked system: Critical exponents and scaling invariance_*, Physics Letters, 376, 723-728 (2012). doi: http://dx.doi.org/10.1016/j.physleta.2011.12.031
D. F. M. Oliveira, M. Robnik, and E. D. Leonel, *_Shrimp-shape domains in a dissipative kicked rotator_*, Chaos, 21, 043122 (2011).Chaos. doi: http://dx.doi.org/10.1063/1.3657917.
A. Batagin-Neto, E. Bronze-Uhle, D. Fernandes, I. Fratoddi, I. Venditti, F. Decker, E. Bodo, M. V. Russo and C. Graeff, *_Optical Behavior of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma-Ray Radiation Doses_*, Journal of Physical Chemistry B, 115, 8047-8053 (2011). doi: http://dx.doi.org/10.1021/jp200831z. Epub 2011 Jun 9.
E. S. Bronze-Uhle, A. Batagin-Neto, F. C. Lavarda, and C. F. O. Graeff, *_Ionizing radiation induced degradation of poly (2-methoxy-5-(2’-ethyl-hexyloxy) -1,4-phenylene vinylene) in solution_*,J. Appl. Phys. 110, 073510 (2011); doi: http://dx.doi.org/10.1063/1.3644946
L. G. Felippe, J. M. Batista Jr., D. C. Baldoqui, I. R. Nascimento, M. J. Kato, V. S. Bolzani and M. Furlan, *_Structure and absolute configuration of a se
gnan from Peperomia blanda_*, Phytochemistry Letters, 4, 245-249 (2011). doi: http://dx.doi.org/10.1016/j.phytol.2011.04.007
E. F. de Oliveira and F. C. Lavarda, *_Conformation Structure of Conjugated Polymer P3HT in Solution_*, Physicæ Proceedings (2012). http://dx.doi.org/10.5196/physicae.proceedings.XIYRM.4
L. G. Felippe, J. M. B. Junior, D. C. Baldoqui, I. R. Nascimento, M. J. Kato, Y. He, L. A. Nafie and M. Furlan, *_VCD to determine absolute configuration of natural product molecules: secolignans from Peperomia blanda_*, Org. Biomol. Chem., (2012), Accepted Manuscript, doi: http://dx.doi.org/10.1039/C2OB25109D
M. R. Silva, D. R. da Costa and E. D. Leonel., *_Characterization of multiple reflections and phase space properties for a periodically corrugated waveguide_*, Journal of Physics A: Mathematical and Theoretical, 45, 26 (2012).[fonte: http://www.producao.usp.br/handle/BDPI/40884]
D. Carvalho, S. Schönwald, G. Dellagustin, E. de Santa-Helena, N. Lemke and G. Gerhardt, *_Sleep Spindle Frequency Modulation (Chirp) in Obstructive Sleep Apnea (P04.025)_*, G1 Clinical Neurophysiology, April 25, 2012; 78(Meeting Abstracts 1): P04.025, doi: http://dx.doi.org/10.1212/WNL.78.1_MeetingAbstracts.P04.025Neurology
T. Botari and E. D. Leonel, *_A one-dimensional Fermi accelerator model with moving wall described by a nonlinear van der Pol oscillator_*, Phys. Rev. E 87, 012904 – Published 7 January 2013, doi: http://dx.doi.org/10.1103/PhysRevE.87.012904
D. F. Tavaresa, E. D. Leonel and R.N. Costa Filho, *_Non-uniform drag force on the Fermi accelerator model_*, Physica A, 06, 44 (2012). doi: http://dx.doi.org/10.1016/j.physa.2012.06.044
Canedo, C., Haddad, C.F.B., *_Phylogenetic relationships within anuran clade Terrarana, with emphasis on the placement of Brazilian Atlantic rainforest frogs genus Ischnocnema (Anura:Brachycephalidae)_*, Molecular Phylogenetics and Evolution (2012), doi: http://dx.doi.org/10.1016/j.ympev.2012.07.016
S. V. Schönwald, D. Z. Carvalho, E. L de S. Helena, N. Lemke and Günther J L Gerhardt, *_Topography-specific spindle frequency changes in Obstructive Sleep Apnea_*, BMC Neuroscience, 13:89, doi: http://dx.doi.org/10.1186/1471-2202-13-89
A. L. P. Livorati, T. Kroetz, C. P. Dettmann, I. L. Caldas and E. D. Leonel, *_Stickiness in a bouncer model: A slowing mechanism for Fermi acceleration_*, Phyiscal Review E, vol. 86, pp. 036203, 2012, doi: http://dx.doi.org/10.1103/PhysRevE.86.036203
William F. Porto, Valéria A. Souza, Diego O. Nolasco, Octávio L. Franco, *_In silico identification of novel hevein-like peptide precursors_*, Peptides, Volume 38, Issue 1, November 2012, Pages 127-136, ISSN 0196-9781, http://dx.doi.org/10.1016/j.peptides.2012.07.025. (http://www.sciencedirect.com/science/article/pii/S0196978112003269)*
Diego F.M. Oliveira and E. D. Leonel, *_Dynamical properties for the problem of a particle in an electric field of wave packet: Low velocity and relativistic approach_*, Physics Letters A (November 2012), doi: http://dx.doi.org/10.1016/j.physleta.2012.10.052
L. G. Verga, M. M. Bonilha, M. Carlone, P. A. Venegas, *_Critical Currents and Melting Temperature of a Two-dimensional Vortex Lattice with Periodic Pinning_*, (Submitted on 7 Nov 2012), http://arXiv:1211.1561 [cond-mat.supr-con]
A. Batagin-Neto, E. F. Oliveira, C. F.O. Graeff & F. C. Lavarda, *_Modelling polymers with side chains: MEH-PPV and P3HT_*, 12 Oct 2012, doi: http://dx.doi.org/10.1080/08927022.2012.724174
C. P. Dettmann and E. D. Leonel, *_Periodic volume fluctuations with infinite horizon: Intermittency enhanced Fermi acceleration_*, (Submitted on 21 Dec 2012), http://arxiv.org/abs/1212.5482v1
A. L.P. Livorati, A. Loskutov and E. D. Leonel, *_A peculiar Maxwell’s Demon observed in a time-dependent stadium-like billiard_*, Physica A: Statistical Mechanics and its Applications, Volume 391, Issue 20, 15 October 2012, Pages 4756–4762, doi: http://dx.doi.org/10.1016/j.physa.2012.05.002
J. A de Oliveira and E. D. Leonel, *_Dissipation and its consequences in the scaling exponents for a family of two-dimensional mappings_*, 2012 J. Phys. A: Math. Theor. 45 165101, doi: http://dx.doi.org/10.1088/1751-8113/45/16/165101
D. G. Ladeira and E. D. Leonel, *_Scaling investigation for the dynamics of charged particles in an electric field accelerator_*, Chaos: An Interdisciplinary Journal of Nonlinear Science, 22, 043148 (2012); doi: http://dx.doi.org/10.1063/1.4772997
D. F.M. Oliveira and E. D. Leonel, *_Some dynamical properties of a classical dissipative bouncing ball model with two nonlinearities_*, Original Research Article, Physica A: Statistical Mechanics and its Applications, In Press, Accepted Manuscript, Available online 3 January 2013, doi: http://dx.doi.org/10.1016/j.physa.2012.12.021
Oliveira, E. F. d., Camilo-Jr, A., Silva-Filho, L. C. d. and Lavarda, F. C. (2013), *_Effect of chemical modifications on the electronic structure of poly(3-hexylthiophene)_*, J. Polym. Sci. B Polym. Phys., doi: http://dx.doi.org/10.1002/polb.23274
N. H. Morgon, *_Estudo teórico das transições eletrônicas usando métodos simples e sofisticados_*, Quím. Nova vol.36 no.4 São Paulo 2013, doi: http://dx.doi.org/10.1590/S0100-40422013000400019
R.P. Simões, P.A. Venegas and D.F. Mello, *_The Effects of Pinning on Critical Currents of Superconducting Films_*, J Supercond Nov Magn (2013) 26:2281–2284, doi: http://dx.doi.org/10.1007/s10948-012-1427-2
J. A. de Oliveira, E. R. Papesso and E. D. Leonel, *_Relaxation to Fixed Points in the Logistic and Cubic Maps: Analytical and Numerical Investigation_*, Entropy 2013, 15, 4310-4318; doi: http://dx.doi.org/10.3390/e15104310
J. Cota, L. C. Oliveira, A. R.L. Damásio, A. P. Citadini, Z. B. Hoffmam, T. M. Alvarez, C. A. Codima, V. B.P. Leite, G. Pastore, M. de Oliveira-Neto, M. T. Murakami, R. Ruller, and F. M. Squina, *_Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations_*, Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, Elsevier, doi: http://dx.doi.org/10.1016/j.bbapap.2013.02.030
A.R. Albuquerque, J. Maul, E. Longo, I.M.G. Santos, and J.R. Sambrano, *_Hydrostatic and [001] Uniaxial Pressure on Anatase TiO by Periodic B3LYP-D* Calculations_*, J. Phys. Chem. C, doi: http://dx.doi.org/10.1021/jp311572y, Publication Date (Web): 20 Mar 2013
S. J. de Carvalho and D. L. Zago Caetano, *_Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions_*, J. Chem. Phys. 138, 244909 (2013); doi: http://dx.doi.org/10.1063/1.4811842
G. L. Perpetuo, D. A. Galico, R. A. Fugita, R. A. E. Castro, M. E. S. Eusebio, O. Treu-Filho, A. C. M. Silva and G. Bannach, *_Thermal behavior of some antihistamines_*, J Therm Anal Calorim (2013) 111:2019–2028, doi: http://dx.doi.org/10.1007/s10973-012-2247-0
A. C. Ferraretto, R. S. Nunes, J. M. Luiz, F. J. Caires, O. Treu-Filho, and M. Ionashiro, *_Synthesis, characterization, thermal behavior, and DFT calculation of solid 1,4-bis(3-carboxy-3-oxo-prop-1-enyl) benzene of some trivalent lanthanides_*, J Therm Anal Calorim, doi: http://dx.doi.org/10.1007/s10973-014-4016-8
M. Fasciotti, P. M. Lalli, G. Heerdt, R. A. Steffen, Y. E. Corilo, G. F. de Sá, R. J. Daroda, F. de A. M. Reis, N. H. Morgon, R. C. L. Pereira, M. N. Eberlin and C. F. Klitzke, *_Structure-drift time relationships in ion mobility mass spectrometry_*,doi: http://dx.doi.org/10.1007/s12127-013-0129-1, Published online: 20 March 2013
V.G.Contessoto, D.T. Lima, R.J.Oliveira, A.T.Bruni, J. Chahine, V.B.P. Leite, *_Analyzing the effect of homogeneous frustration in protein folding_*, doi: http://dx.doi.org/10.1002/prot.24309, ‘Accepted Article’, March 13, 2013
J. A. de Oliveira, C. P. Dettmann, D. R. da Costa and E. D. Leonel, *_Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings_*,doi: http://dx.doi.org/10.1103/PhysRevE.87.062904 Received 23 October 2012; revised 5 December 2012; published 10 June 2013
D. F. Tavares, A.D. Araujo, E. D. Leonel, R.N. Costa Filho, *_Dynamical properties for a mixed Fermi accelerator model_*, Physica A: Statistical Mechanics and its Applications, Available online 24 May 2013, doi: http://dx.doi.org/10.1016/j.physa.2013.05.027
D. R. da Costa, I.L. Caldas, E. D. Leonel, *_Dynamical properties for an ensemble of classical particles moving in a driven potential well with different time perturbation_*, Physics Letters A, Volume 377, Issues 31–33, 30 October 2013, Pages 1814–1821, doi: http://dx.doi.org/10.1016/j.physleta.2013.05.050
E.F. Oliveira, F.C. Lavarda, *_Structure of P3HT in the solid state_*, Journal of Polymer Science Part B: Polymer Physics, 2013 doi: http://dx.doi.org/10.1002/polb.23338
J. A. de Oliveira and E. D. Leonel, *_A rescaling of the phase space for Hamiltonian map: Applications on the Kepler map and mappings with diverging angles in the limit of vanishing action_*, Applied Mathematics and Computation, Volume 221, 15 September 2013, Pages 32–39 doi: http://dx.doi.org/10.1016/j.amc.2013.06.045
F.J. Caires, A.C. Gigante, D.J.C. Gomes, O. Treu-Filho, M. Ionashiro, *_Synthesis, thermal behaviour and spectroscopic study of trivalent lanthanide and yttrium(III) α-hydroxyisobutyrates, in solid state_*,Thermochimica Acta, Available online 11 July 2013, In Press, Accepted Manuscript, doi: http://dx.doi.org/10.1016/j.tca.2013.06.034
D.A. Gálico, G.L. Perpétuo, R.A.E. Castro, O. Treu-Filho,A. O. Legendre, M. S. Galhiane, G. Bannach, *_Thermoanalytical study of nimesulide and their recrystallization products obtained from solutions of several alcohols_*, Received: 7 March 2013 / Accepted: 10 June 2013, Journal of Thermal Analysis and Calorimetry, doi: http://dx.doi.org/10.1007/s10973-013-3294-x
A.C. Gigante, F.J. Caires, D.J.C. Gomes, L.S. Lima, O. Treu-Filho, M. Pivatto, M. Ionashiro, *_Spectroscopic study and thermal behavior of trivalent lanthanides and yttrium (III) chelates of EDTA using TG-DSC, FTIR, and TG-DSC coupled to FTIR_*,Received: 21 February 2013 / Accepted: 6 June 2013, Journal of Thermal Analysis and Calorimetry, doi: http://dx.doi.org/10.1007/s10973-013-3284-z
Diego Z. Carvalho, Günther J.L. Gerhardt, Guilherme Dellagustin, Emerson L. de Santa-Helena, Ney Lemke, Alan Z. Segal, Suzana V. Schönwald, *_Loss of sleep spindle frequency deceleration in Obstructive Sleep Apnea_*, Clinical Neurophysiology, Available online 27 July 2013, ISSN 1388-2457, doi: http://dx.doi.org/10.1016/j.clinph.2013.07.005.
de Mendonça MR, Rizzi LG, Contessoto V, Leite VB, Alves NA, *_Inferring a Weighted Elastic Network from Partial Unfolding with Coarse-grained Simulations_*, Proteins: Structure, Function, and Bioinformatics, Accepted Article, doi: http://dx.doi.org/10.1002/prot.24381
da Costa, D. R., C. P. Dettmann, and E. D. Leonel., *_Circular, Elliptic and Oval Billiards in a Gravitational Field_*, arXiv preprint arXiv:1308.0362 (2013). http://arxiv.org/pdf/1308.0362.pdf
da Costa, Diogo Ricardo, Mário R. Silva, and E. D. Leonel. *_Escape Beam Statistics and dynamical Properties for a Periodically Corrugated Waveguide._*, Communications in Nonlinear Science and Numerical Simulation (2013), doi: http://dx.doi.org/10.1016/j.cnsns.2013.08.009
Barra, Carolina V., et al. *_Synthesis, Cytotoxic Activity and DNA Interaction of Pd (II) Complexes Bearing N’-methyl-3, 5-dimethyl-1-thiocarbamoylpyrazole._* Polyhedron (2013). doi: http://dx.doi.org/10.1016/j.poly.2013.08.040
C.P. Dettmann and E.D. Leonel, *_Periodic Compression of an Adiabatic Gas: Intermittency-enhanced Fermi acceleration_*, EPL (Europhysics Letters), 2013, 103 40003, doi: http://dx.doi.org/10.1209/0295-5075/103/40003
R.S. Borges, J. Batista Jr, R.B. Viana, A.C. Baetas, E. Orestes,M. A. Andrade, K. M. Honório and A. B. F. da Silva, *_Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants_*, Molecules 2013, 18, 12663-12674; doi: http://dx.doi.org/10.3390/molecules181012663
A. L. P. Livorati, Matheus S. Palmero, Carl P. Dettmann, I. L. Caldas and E. D. Leonel, *_Separation of particles leading to decay and unlimited growth of energy in a driven stadium-like billiard_*, Submitted on 14 Oct, 2013, http://arxiv.org/abs/1310.3615v1
D.A. Gálico, B.B.C. Holanda, R.B. Guerra, A.O. Legendre, D. Rinaldo, O. Treu-Filho, G. Bannach, *_Thermal and Spectroscopic Studies on Solid Ibuprofen Complexes of Lighter Trivalent Lanthanides_*, Accepted Manuscript 05 Nov, 2013, doi: http://dx.doi.org/doi:10.1016/j.tca.2013.11.005
Batagin-Neto, Augusto; S. Bronze-Uhle, Erika; V. G. Vismara, Marcus; P. Assis, Andrei; A. Castro, Fernando; Geiger, Thomas; C. Lavarda, Francisco; F. O. Graeff, Carlos, *_Gamma-Ray Dosimetric Properties of Conjugated Polymers in Solution_*, Current Physical Chemistry, Volume 3, Number 4, December 2013, pp. 431-440(10), doi; http://dx.doi.org/10.2174/18779468113036660026
A. L. P. Livorati, O. Georgiou, C. P. Dettmann and E. D. Leonel, *_Escape through a Time-dependent Hole in the Doubling Map_*, 25 December, 2013, arxiv http://arxiv.org/abs/1312.7030v1
A. Alves, F. de Campos, M. Dias, J.M.H. da Silva, *_Searching for Elko Dark Matter Spinors at the CERN LHC_*, High Energy Physics - Phenomenology (hep-ph), Submitted on 6 Jan 2014, arxiv: http://arxiv.org/abs/1401.1127v1
R.B. Viana, A.R. Guimarães, A.R. de Souza, A.B.F. da Silva, *_Molecular Properties of the PCO Radical: Heat of Formation and the Isomerization Pathways_*, Journal of Molecular Modeling, 2014 Feb;20(2):2074. doi: http://dx.doi.org/10.1007/s00894-014-2074-2. Epub 2014 Feb 8.
E.D. Leonel, A.L.P. Livorati, A.M. Cespedes, *_A Theoretical Characterization of Scaling Properties in a Bouncing Ball System_*,Physica A: Statistical Mechanics and its Applications, Available online 28 February 2014, doi: http://dx.doi.org/10.1016/j.physa.2014.02.053
W.F. Porto, D.O. Nolasco, O.L. Franco, *_Native and Recombinant Pg-AMP1 Show Different Antibacterial Activity Spectrum but Similar Folding Behavior_*, Peptides, Available online 26 February 2014, doi: http://dx.doi.org/10.1016/j.peptides.2014.02.010
E de S. Candido, G. da R. Fernandes, S. A. de Alencar, Marlon Henrique e Silva Cardoso, S. M. de F. Lima, V. de J. Miranda, W. F. Porto, D. O. Nolasco, N. G. de Oliveira-Junior, A. E. A de D. Barbosa, R. E. Pogue, T. M. B. Rezende, S. C. Dias, O. L. Franco, *_Shedding Some Light over the Floral Metabolism by Arum Lily (Zantedeschia aethiopica) Spathe De Novo Transcriptome Assembly_*, Plos One, March 2014, Vol.9, Issue 3, e90487 Published: March 10, 2014, doi: http://dx.doi.org/10.1371/journal.pone.0090487
D.J.C. Gomes, F.J. Caires, R.C. Silva, O. Treu-Filho, M. Ionashiro, *_Synthesis, characterization, thermal and spectroscopic studies of solid glycolate of light trivalent lanthanides, except promethium_*, Thermochimica Acta, In Press, Accepted Manuscript, Available online 30 March 2014, doi: http://dx.doi.org/10.1016/j.tca.2014.03.032
A.R. Albuquerque, A. Bruix, I.M.G. Santos, J.R. Sambrano, and F. Illas, *_A DFT Study on Ce-doped Anatase TiO: Nature of Ce and Ti Centers Triggered by Oxygen Vacancy Formation_*, J. Phys. Chem. C, Just Accepted Manuscript, Publication Date (Web): 10 Apr 2014, doi: http://dx.doi.org/10.1021/jp501757f
D. R. da Costa, I. L. Caldas, E. D. Leonel, *_Phase space properties and chaotic transport for a particle moving in a time dependent step potential well_*, Applied Mathematics and Computation, Volume 236, 1 June 2014, Pages 215–228, doi: http://dx.doi.org/10.1016/j.amc.2014.03.021
Hoffmam, Zaira B. ; Oliveira, Leandro C. ; Cota, Junio ; Alvarex, Thabata M. ; Diogo, José A. ; Oliveira Neto, Mario ; Citadini, Ana Paula S. ; Leite, Vitor B. P. ; Squina, Fabio M. ; Murakami, Mario T. ; Ruller, Roberto. *_Characterization of a Hexameric Exo-Acting GH51 α-l-Arabinofuranosidase from the Mesophilic Bacillus subtilis*, doi: http://dx.doi.org/10.1007/s12033-013-9677-1 .
R. M. Ferreira, M. Motta, A. Batagin-Neto, C. F. de O. Graeff, P. N. Lisboa-Filho, F. C. Lavarda, *_Theoretical Investigation of Geometric Configurations and Vibrational Spectra in Citric Acid Complexes_*, Received: April 15, 2013; Revised: March 22, 2014, Mat. Res. vol.17 no.3 São Carlos May/June 2014 Epub May 09, 2014, doi: http://dx.doi.org/10.1590/S1516-14392014005000056
A. Batagin-Neto, A. P. Assis, J. F. Lima, C. J. Magon, L. Yan, M. Shao, B. Hu, and C. F.O. Graeff, *_Light Induced Structural Change in Iridium Complexes Studied by Electron Spin Resonance_*, J. Phys. Chem. A, Just Accepted Manuscript, Publication Date (Web): May 8, 2014, doi: http://dx.doi.org/10.1021/jp503831p
E. D. Leonel and A. L. P. Livorati, *_Thermodynamics of a bouncer model: a simplified one-dimensional gas_*, Preprint submitted to Communications in Nonlinear Science and Numerical Simulation, May 9, 2014, http://arxiv.org/abs/1405.2030v1
Í. P. Carusoa, W. Vilegasc, F. P. de Souzaa, M. A. Fosseya, M. L. Cornélio, *_Binding of antioxidant flavone isovitexin to human serum albumin investigated by experimental and computational assays_*, Journal of Pharmaceutical and Biomedical Analysis, Available online 22 May 2014, doi: http://dx.doi.org/10.1016/j.jpba.2014.05.015
Vega-Teijido, Mauricio Angel, Sarah El Chamy Maluf, Camila Ramalho Bonturi, Julio Ricardo Sambrano, and Oscar N. Ventura. *_Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1, 2, 4-thiadiazole derivatives_*, Journal of Molecular Modeling 20, no. 6 (2014): 1-14., doi: http://dx.doi.org/10.1007/s00894-014-2254-0
Sidney J. de Carvalho, Ralf Metzlerbc and Andrey G. Cherstvy. *_Critical adsorption of polyelectrolytes onto charged Janus nanospheres_*, Phys. Chem. Chem. Phys., 2014, Advance Article, doi: http://dx.doi.org/10.1039/C4CP02207F
D.R. da Costa, C.P. Dettmann, E.D. Leonel, *_Transport and dynamical properties for a bouncing ball model with regular and stochastic perturbations_*, Communications in Nonlinear Science and Numerical Simulation (2014), doi: http://dx.doi.org/10.1016/j.cnsns.2014.06.046
A. R. Albuquerque, I. M. G. Santos e Júlio R. Sambrano, *_Propriedades Estruturais e Eletrônicas de Nanofilmes de Tio2 Anatase: Cálculos B3lyp-D em Sistemas Periódicos Bidimensionais_*, Quim. Nova, Vol. XY, No. 00, 1-6, 200_, Recebido em 23/01/2014; aceito em 14/05/2014; publicado na web em 15/07/2014, http://quimicanova.sbq.org.br/imagebank/pdf/AR14055.pdf
R. B. Viana and A. B. F. da Silva, *_The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties_*, J Mol Model (2014) 20:2372, Received: 3 April 2014, Accepted: 29 June 2014, doi: http://dx.doi.org/10.1007/s00894-014-2372-8
R. B. Viana, A. R. de Souza, B. S. Lima-Neto and A. B.F. da Silva, *_On the stability of the RuCl2(triphenylphosphine)2(amine) complexes: ligand substituent effects of cyclic and acyclic amines_*, Accepted Manuscript, Polyhedron, Received 3 April 2014, Accepted 9 July 2014, doi: http://dx.doi.org/10.1016/j.poly.2014.07.028
T. A. D. Colman, D. J. C. Gomes, F. J. Caires, O. Treu Filho, R. de C. da Silva and M. Ionashiro, *_Synthesis, thermal and spectroscopic study of light lanthanide nicotinate, in the solid state_*, Thermochimica Acta, Received 27-3-2014, Revised 11-6-2014, Accepted 13-6-2014 doi: http://dx.doi.org/10.1016/j.tca.2014.06.013
F. Brusquetti, M. Jansen, C. Barrio-Amorós, M. Segalla and C. F. B. Haddad, *_Taxonomic review of Scinax fuscomarginatus (Lutz, 1925) and related species (Anura; Hylidae)_*,The Linnean Society of London, Zoological Journal of the Linnean Society, 2014, 171, 783–821. doi: http://dx.doi.org/10.1111/zoj.12148
E. F. Oliveira and F. C. Lavarda, *_Effect of the length of alkyl side chains in the electronic structure of conjugated polymers_*, Materials Research, doi: http://dx.doi.org/10.1590/1516-1439.278814
Porto WF, Maria-Neto S, Nolasco DO, Franco OL (2014), *_Screening and Functional Prediction of Conserved Hypothetical Proteins from Escherichiacoli_*, J Proteomics Bioinform 7: 203-213. doi: http://dx.doi.org/10.4172/jpb.1000321
D. R. da Costa, D. F. M. Oliveira and E. D. Leonel, *_Dynamical and statistical properties of a rotating oval billiard_*, Communications in Nonlinear Science and Numerical Simulation, Volume 19, Issue 6, June 2014, Pages 1926–1934 doi: http://dx.doi.org/10.1016/j.cnsns.2013.10.007
D. T. B. De Salvi, H. da S. Barud, O. Treu-Filho, A.a Pawlicka, R. I. Mattos and E. Raphael, S. J. L. Ribeiro, *_Preparation, thermal characterization, and DFT study of the bacterial cellulose Triethanolamine system_*, J Therm Anal Calorim, doi: http://dx.doi.org/10.1007/s10973-014-3969-y
C. G. Oliveira, P. I. da S. Maia, P. C. Souza, F. R. Pavan, C. Q.F. Leite, R. B. Viana, A. A. Batista, O. R. Nascimento and V. M. Deflon, *_Manganese(II) complexes with thiosemicarbazones as potential anti-Mycobacterium tuberculosis agents_*, Journal of Inorganic Biochemistry, Volume 132, March 2014, Pages 21–29, doi: http://dx.doi.org/10.1016/j.jinorgbio.2013.10.011
D. F. M. Oliveira and E. D. Leonel, *_In-flight and collisional dissipation as a mechanism to suppress Fermi acceleration in a breathing Lorentz gas_*, Chaos 22, 026123 (2012); doi: http://dx.doi.org/10.1063/1.3697392
D. Gouvêa Ladeira and E. D. Leonel, *_Dynamics of a charged particle in a dissipative Fermi-Ulam model_*, (Submitted on 11 Dec 2013), Chaotic Dynamics, http://arxiv.org/abs/1312.3160
G. J. L. Gerhardt, N. Lemke, D. Z. Carvalho, E. L. de Santa-Helena, S. V.Schonwald, G. Dellagustin and J. L. Rybarczyk Filho, *_Analysis of EEG Sleep Spindle Parameters fromApnea Patients Using Massive Computing and Decision Tree_*, SCIENTIA CUM INDUSTRIA(SCI. CUM IND.), V. 2, N. 1, PP. 15 — 18, 2014
A. L. P. Livorati, M. S. Palmero, C. P. Dettmann, I. L. Caldas and E. D. Leonel, *_Separation of particles leading either to decay or unlimited growth of energy in a driven stadium-like billiard_*, J. Phys. A: Math. Theor. 47 365101 doi: http://dx.doi.org/10.1088/1751-8113/47/36/365101
V.M. de Oliveira and S.J. de Carvalho, *_Adsorption of pH-responsive polyelectrolyte chains onto spherical macroions_*, Eur. Phys. J. E (2014) 37: 75, Communications in Nonlinear Science and Numerical Simulation, doi: http://dx.doi.org/10.1140/epje/i2014-14075-4
D. R. da Costa, *_A dissipative Fermi-Ulam model under two different kinds of dissipation_*, Communications in Nonlinear Science and Numerical Simulation, 2014, doi: http://dx.doi.org/10.1016/j.cnsns.2014.09.006
E. F. Oliveira and F. C. Lavarda, *_Molecular design of new P3HT derivatives: Adjusting electronic energy levels for blends with PCBM_*, Materials Chemistry and Physics, 2014, doi: http://dx.doi.org/10.1016/j.matchemphys.2014.09.002
A. L. P. Livorati, I. L. Caldas, C. P. Dettmann and E. D. Leonel, _*Crises in a dissipative Bouncing ball model*_, 2014, http://arxiv.org/abs/1409.8279v1
T. H. Ito, P. C. M. L. Miranda, N. H. Morgon, G. Heerdt, C. A. Dreiss and Edvaldo Sabadini, _*Molecular Variations in Aromatic Cosolutes: Critical Role in the Rheology of Cationic Wormlike Micelles*_, 2014, doi: http://dx.doi.org/10.1021/la502649j
R. C. de Andrade, C. F. de Almeida, A. B. de Siqueira, O. Treu-Filho, F. J. Caíres and C. T. de Carvalho, *_Thermal and spectroscopic study of the 3,4-(methylenedioxy)cinnamate compounds of transition metals in the solid state_*, Thermochimica Acta, Available online 8 October 2014, doi: http://dx.doi.org/10.1016/j.tca.2014.10.004
O. A. Naranjo-Montoya, L. M. Martins, L. C. da Silva-Filho, A. Batagin-Neto and F. C. Lavarda, *_The Correlation Between Electronic Structure and Antimalarial Activity of Tetrahydropyridines_*, J. Braz. Chem. Soc., Vol. 00, No. 00, 1-11, 2014, Submitted on: July 29, 2014, Published online: November 11, 2014 doi: http://dx.doi.org/10.5935/0103-5053.20140263
T. A. D. Colman, D. J. C. Gomes, F. J. Caires, O. Treu-Filho, R. de C. da Silva and M. Ionashiro, _*Synthesis, evolved gas analysis (EGA) during pyrolysis and spectroscopic study of light lanthanide nicotinate in solid state*_, Journal of Analytical and Applied Pyrolysis, Available online 2 December 2014, doi: http://dx.doi.org/10.1016/j.jaap.2014.11.021
A. Alves, F. de Campos and M. Dias, *_Searching for Elko dark matter spinors at the CERN LHC_*, International Journal of Modern Physics A, Vol. 30, No. 1 (2015) 1550006 (13 pages), World Scientific Publishing Company, doi: http://dx.doi.org/10.1142/S0217751X15500062
D. A. Teixeira, M. A. G. Valente Jr., A. V. Benedetti, G. T. Feliciano, S. C. da Silva, and C. S. Fugivara, _*Experimental and Theoretical Studies of Volatile Corrosion Inhibitors Adsorption on Zinc Electrode*_, J. Braz. Chem. Soc., Vol. 00, No. 00, 1-17, 2015, doi: http://dx.doi.org/10.5935/0103-5053.20140296
J.A. de Oliveira and E.D. Leonel, _*Scaling properties and universality in a ratchet system*_, Eur. Phys. J. Special Topics 223, 2969–2978 (2014), doi: http://dx.doi.org/10.1140/epjst/e2014-02310-0
A.L.P. Livorati, J.A. de Oliveira, D.G. Ladeira, and E.D. Leonel, _*Time-dependent properties in two-dimensional and Hamiltonian mappings*_, Eur. Phys. J. Special Topics 223, 2953–2958 (2014), doi: http://dx.doi.org/10.1140/epjst/e2014-02308-6
A. Batagin-Neto, E.S. Bronze-Uhle, C.F.O Graeff, _*Electronic structure calculations of ESR parameters for melanin units.*_ PCCP. Physical Chemistry Chemical Physics, Advance Article, 2015. doi: http://dx.doi.org/10.1039/C4CP05256K
R. S. Galaverna, G. A. Bataglion, G. Heerdt, G. F. de Sa, R. Daroda, V. S. Cunha, N. H. Morgon and M. N. Eberlin, _*Are Benzoic Acids Always More Acidic Than Phenols? The Case of ortho-, meta-, and para-Hydroxybenzoic Acids*_ , Article first published online: 18 FEB 2015 doi: http://dx.doi.org/10.1002/ejoc.201403528
Rommel B. Viana, , Albérico B.F. da Silva, _*Interaction between PH3 and small water clusters: Understanding the electronic and spectroscopic properties*_ , Computational and Theoretical Chemistry, Volume 1059, 1 May 2015, Pages 35–44, doi: http://dx.doi.org/10.1016/j.comptc.2015.02.007
L. C. de Oliveira, V. M. da Silva, F. Colussi, A. D. Cabral, M. de O. Neto, F. M. Squina, W. Garcia, _*Conformational Changes in a Hyperthermostable Glycoside Hydrolase: Enzymatic Activity Is a Consequence of the Loop Dynamics and Protonation Balance*_ , Published: February 27, 2015, doi: http://dx.doi.org/10.1371/journal.pone.0118225
S. J. de Carvalho, R. Metzler, A. G. Cherstvy, _*Inverted critical adsorption of polyelectrolytes in confinement*_, (Submitted on 6 Mar 2015), arXiv:1503.02040 [cond-mat.soft]
A. F. Monteiro , J. M. Batista Jr., M. A. Machado, R. P. Severino , E. W. Blanch , V. S. Bolzani , P. C. Vieira , and V. G. P. Severino, _*Structure and Absolute Configuration of Diterpenoids from Hymenaea stigonocarpa*_ , Publication Date (Web): June 3, 2015, doi: http://dx.doi.org/10.1021/acs.jnatprod.5b00166
Electronic structure of a hydrogenated gallium nitride nanoparticle
F. C. Lavarda, Z. de S. Schiaber, L. de C. D. Aguiar, E. F. Oliveira, D. M. G. Leite, A. Camilo Jr, and J. H. D. da Silva, _*Electronic structure of a hydrogenated gallium nitride nanoparticle*_, Article first published online: 17 jul 2015, http://dx.doi.org/10.1002/pssb.201552333
D. Venturini, B. Pastrello, M. L. Zeraik, I. Pauli, A. D. Andricopulo, L. C. Silva-Filho, V. S. Bolzani, N. H. Morgon, A. R. da Souza and Valdecir F. Ximenes, _*Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroism*_, http://dx.doi.org/10.1039/C5RA10960D (Paper) RSC Adv., 2015, 5, 62220-62228
Diogo Ricardo da Costa, Carl P. Dettmann, Juliano A. de Oliveira, and Edson D. Leonel, _*Dynamics of classical particles in oval or elliptic billiards with a dispersing mechanism*_ ,
Chaos 25, 033109 (2015), doi: http://dx.doi.org/10.1063/1.4915474
S. J. de Carvalho, R. Metzler and A. G. Cherstvy, _*Inverted critical adsorption of polyelectrolytes in confinement*_ , Soft Matter, 2015,11, 4430, Received 17th March 2015, Accepted 15th April 2015, arXiv preprint arXiv:1503.02040, 2015 , doi: http://dx.doi.org/10.1039/c5sm00635
M. E. F. Pinto, J. M. Batista Jr., J. Koehbach, P. Gaur, A. Sharma, M. Nakabashi, E. M. Cilli, G. M. Giesel, H. Verli, C. W. Gruber, Ewan W. Blanch, J. F. Tavares, M. S. da Silva, C. R. S. Garcia, and V. S. Bolzani, _*Ribifolin, an Orbitide from Jatropha ribifolia, and Its Potential Antimalarial Activity*_ , J. Nat. Prod., 2015, 78 (3), pp 374–380, Publication Date (Web): February 20, 2015 doi: http://dx.doi.org/10.1021/np5007668
R. B. Viana, A. B.F. da Silva, _*Electronic properties of the AsCO, AsSiO and AsGeO radicals: Linear or cyclic?*_ , Polyhedron Volume 89, 29 March 2015, Pages 160–167, doi: http://dx.doi.org/10.1016/j.poly.2015.01.010
R. B. Guerra , D. A. Gálico , B. B. C. Holanda , O. Treu-Filho ,A. O. Legendre , G. Bannach, _*New complexes of lighter trivalent lanthanides with indomethacin anti-inflammatory drug: synthesis, thermal properties and spectroscopic study in the solid state.*_ , Available online at www.bjta.iiatbr.org Braz. J. Therm. Anal. Vol. 4 No. 1-2 (2015) 13 – 20
doi: http://dx.doi.org/10.18362/bjta.v4.i1-2.72
F. C. Lavarda, Z. de S. Schiaber, L. de C. D. Aguiar, E. F. Oliveira, D. M. G. Leite, A. Camilo Jr and J. H. D. da Silva, _*Electronic structure of a hydrogenated gallium nitride nanoparticle*_ , Article first published online: 17 JUL 2015, doi: http://dx.doi.org/10.1002/pssb.201552333
A. L. P. Livorati, C. P. Dettmann, I. L. Caldas, and E. D. Leonel, _*On the statistical and transport properties of a non-dissipative Fermi-Ulam model*_,
Chaos 25, 103107 (2015), Received 10 April 2015, accepted 31 August 2015, published online 14 September 2015, doi: http://dx.doi.org/10.1063/1.4930843
J. M. Batista Jr. , B. Wang, M. V. Castelli, E. W. Blanchd and S. N. López, _*Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods*_ , Tetrahedron Letters, Received 21 August 2015, Revised 21 September 2015, Accepted 23 September 2015, Available online 26 September 2015 doi:10.1016/j.tetlet.2015.09.102
M. A. Coronado , A. Ullah , L. Sussushi , D. Chaves-Moreira , L. Vuitika , S.S. Veiga b , J. Chahine , M.T. Murakami and R.K. Arni, _*Structural insights into substrate binding of brown spider venom class II phospholipases D*_ , Current Protein and Peptide Science (Impact Factor: 3.15). 05/2015; 16(8). doi: http://dx.doi.org/10.2174/1389203716666150505231625
Í. P. Carusoa, J. M. B. Filho, A. S. de Araújo, F. P. de Souza, M. A. Fossey and M. L. Cornélio, *_An integrated approach with experimental and computational tools outlining the cooperative binding between 2-phenylchromone and human serum albumin_*, Food Chemistry, 2015
doi: http://dx.doi.org/10.1016/j.foodchem.2015.10.027
W. F. Porto, D. O. Nolasco, Á. S. Pires, G. R Fernandes, O. L. Franco and Sérgio A Alencar, _*HD5 and HBD1 variants' solvation potential energy correlates with their antibacterial activity against escherichia coli*_ , Accepted manuscript online: 13 November 2015
doi: http://dx.doi.org/10.1016/bip.22763
T. Botari, R. Paupitz, P. A. da S. Autreto and D. S. Galvao, _*Graphene healing mechanisms: A theoretical investigation*_ , Carbon 99 (2016) 302e309, 2015 Elsevier, doi: http://dx.doi.org/10.1016/j.carbon.2015.11.070
E. F. Oliveira, J. C. Roldao, B. Milián-Medina, F. C. Lavarda and J. Gierschner, _*Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series, Chemical Physics Letters*_, Volume 645, February 2016, Pages 169–173, http://doi:10.1016/j.cplett.2015.12.059
E. F. Oliveira and F. C. Lavarda, _*Copolymers with similar comonomers: Tuning frontier orbital energies for application in organic solar cells*_, 2016 Society of Plastics Engineers, Article first published online: 18 JAN 2016, doi: http://dx.doi.org/10.1002/pen.24275
I. Cesarino, R. P. Simões, F. C. Lavarda, A. Batagin-Neto, _*Electrochemical oxidation of sulfamethazine on a glassy carbon electrode modified with graphene and gold nanoparticles*_, Electrochimica Acta, Volume 192, 20 February 2016, Pages 8–14, doi: http://dx.doi.org/10.1016/j.electacta.2016.01.178
D. C. Ferreira,M. G. van der Linden, L. C. de Oliveira, J. N. Onuchic and A. F. P. de Araújo, _*Information and redundancy in the burial folding code of globular proteins within a wide range of shapes and sizes*_, Accepted manuscript online: 27 January 2016, doi: http://dx.doi.org/10.1002/prot.2499
A.L.C.S. do Nascimento, J.A. Teixeira, W.D.G. Nunes, F.X. Campos, O. Treu-Filho, F.J. Caires, M. Ionashiro, _*Thermal behavior, spectroscopic study and evolved gas analysis (EGA) during pyrolysis of picolinic acid, sodium picolinate and its light trivalent lanthanide complexes in solid state*_ , Journal of Analytical and Applied Pyrolysis, Available online 15 February 2016
doi: http://dx.doi.org/10.1016/j.jaap.2016.01.010
R. F. Sprenger , S. S. Thomasi , A. G. Ferreira , Q. B. Cass and J. M. Batista Junior, _*Solution-state conformations of natural products from chiroptical spectroscopy: the case of isocorilagin*_, (Paper) Org. Biomol. Chem., 2016, 14, 3369-3375, doi: http://dx.doi.org/10.1039/C6OB00049E
L. P. M. Zanin, A. S. de Araujo , M. A. Juliano, T. Casella, M. C. L. Nogueira and J. R. Neto, _*Effects of N-terminus modifications on the conformation and permeation activities of the synthetic peptide L1A*_ , Amino Acids,pp 1-12, doi: http://dx.doi.org/10.1007/s00726-016-2196-1
D. R. da Costa, M Hansen, G Guarise, R O. Medrano-T and E D. Leonel, _*The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps*_ , Physics Letters A, Volume 380, Issues 18–19, 22 April 2016, Pages 1610–1614, doi: http://dx.doi.org/10.1016/j.physleta.2016.02.049
R. T. F. de Souza , G. J. L. Gerhardt, S. V. Schönwald, J. L.z Rybarczyk-Filho and N. Lemke, _*Synchronization and Propagation of Global Sleep Spindles*_ , Plus One, Published: March 10, 2016 doi: http://dx.doi.org/10.1371/journal.pone.0151369
R. B. Viana, G. L.O. Ribeiro, S. F.F. Santos, D. E. Quintero, A. B. Viana, A. B.F. da Silva and R. Moreno-Fuquen, _*Intramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach*_ , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 162, 5 June 2016, Pages 16–26 doi: http://dx.doi.org/10.1016/j.saa.2016.02.037
J. C. Roldao, E. F. Oliveira and F. C. Lavarda, _*Electronic structure of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) derivatives for organic solar cell applications*_ , Organic Electronics, Volume 33, June 2016, Pages 246–252, doi: http://dx.doi.org/10.1016/j.orgel.2016.03.029
W. F. Porto, D. O. Nolasco, Á. S. Pires, R. W. Pereira, O. L. Franco and S. A. Alencar, _*Prediction of the Impact of Coding Missense and Nonsense Single Nucleotide Polymorphisms on HD5 and HBD1 Antibacterial Activity against Escherichia coli*_, Accepted manuscript online: 10 May 2016, doi: http://dx.doi.org/10.1002/bip.22866
V. G. Contessoto, V. M. de Oliveira, S. J. de Carvalho, L. C. Oliveira, and V. B.P. Leite, _*NTL9 Folding at Constant pH: The Importance of Electrostatic Interaction and pH-Dependence*_, J. Chem. Theory Comput., Just Accepted Manuscript, Publication Date (Web): June 21, 2016, doi: http://dx.doi.org/10.1021/acs.jctc.6b00399
L. G. M. de Macedo and A. R. de Souza, *_Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO_*, Journal of Computational and Theoretical Nanoscience, 8, 38-42 (2011). doi; http://dx.doi.org/10.1166/jctn.2011.1655
M. C. Gomes, D. M. G. Leite, J. R. Sambrano, J.H. D. da Silva and A. R. de Souza, *_Thermodynamic and electronic study of Ga1-xMnxN Films. A theoretical study_*, Surface Science, 605, 1431-1437 (2011). doi: http://dx.doi.org/10.1016/j.susc.2011.05.007
N. L. Marana, J. Sambrano and A. R. de Souza, *_Propriedades eletrônicas, estruturais e constantes elásticas do ZnO_*, Química Nova (Impresso), 33, 810-815 (2010), doi: http://dx.doi.org/10.1590/S0100-40422010000400009
A.C. Gigante, D.J.C. Gomes, L.S. Lima, F.J. Caires, O. Treu-Filho and M. Ionashiro, *_Synthesis, thermal properties and spectroscopic study of solid mandelate of light trivalent lanthanides_*, Thermochimica Acta, 536, 6-14 (2012). doi: http://dx.doi.org/10.1016/j.tca.2012.02.019
F. J. Caires, L. S. Lima, C. T. Carvalho, A. B. Siqueira, Oswaldo Treu-Filho and M. Ionashiro, *_Thermal and spectroscopic data to investigate the oxamic acid, sodium oxamate and its compounds with some bivalent transition metal ions_*, J Therm Anal Calorim, doi: http://dx.doi.org/10.1007/s10973-011-1835-8
R.P. Simões, P.A. Venegas and D.F. Mello, *_Role of Interstitial Pinning in the Dynamical Phases of Vortices in Superconducting Films_*, J Supercond Nov Magn (2013) 26:2277–2279, doi: http://dx.doi.org/10.1007/s10948-012-1532-2
E. F. Oliveira, J. C. Roldao, B. Milián-Medina, F. C. Lavarda and J. Gierschner, _*Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series, Chemical Physics Letters*_, Volume 645, February 2016, Pages 169–173
F. J. Caires, L. S. Lima, D. J. C. Gomes, A. C. Gigante, O. Treu-Filho and M. Ionashiro, *_Thermal and spectroscopic studies of solid oxamate of light trivalent lanthanides_*, Journal of Thermal Analysis and Calorimetry (2013) 111:349–355, doi: http://dx.doi.org/10.1007/s10973-012-2220-y
D. A. Galico, B. B. Holanda, G. L. Perpetuo, E. Schnitzler, O. Treu-Filho, G. Bannach, *_Thermal and spectroscopic studies on solid Ketoprofen of lighter trivalent lanthanides_*, Journal of Thermal Analysis and Calorimetry (2012) 108:371–379 doi: http://dx.doi.org/10.1007/s10973-011-1866-1
P. R. Costa, M. L. Acencio and N. Lemke, *_A machine learning approach for genome-wide prediction of morbid and druggable human genes based on systems-level data_*, BMC Genomics. 2010 Dec 22;11 Suppl 5:S9. doi: http://dx.doi.org/10.1186/1471-2164-11-S5-S9.
Lemke, N. and Campbell, Ian A., *_Stretched-exponential behavior and random walks on diluted hypercubic lattices_*, Physical Review E, 84, 4 Part 1 (2011). doi: http://dx.doi.org/10.1103/PhysRevE.84.041126
T. C. Lourenco, J. M. Batista Jr, M. Furlan, Y. He, L. A. Nafie, C. C. Santana and Q. B.Cass, *_Albendazole sulfoxide enantiomers: Preparative chiral separation and absolute stereochemistry_*, Journal of Chromatography A, 1230 (2012) 61–65, doi: http://dx.doi.org/10.1016/j.chroma.2012.01.070
M. L. Acencio and N. Lemke; *_Towards the prediction of essential genes by integration of network topology, cellular localization and biological process information_*, Biomedcentral, 10, 290 (2009). [fonte: http://www.biomedcentral.com/1471-2105/10/290]
F. A. Garcia, P. A. Venegas, P. G. Pagliuso, C. Rettori, Z. Fisk, P. Schlottmann, and S. B. Oseroff, *_Thermally activated exchange narrowing of the Gd3+ ESR fine structure in a single crystal of Ce1-xGdxFe4P12 (x≈0.001) skutterudite_*, Physical Review B, 84, 125116 (2011). [fonte: http://prb.aps.org/abstract/PRB/v84/i12/e125116]
E. D. Leonel and Carl P. Dettmann, *_Recurrence of particles in static and time varying oval billiards_*, Physics Letters A, 03, 056 (2012). doi: http://dx.doi.org/10.1016/j.physleta.2012.03.056
E. D. Leonel and D. F M Oliveira, *_Parameter-space for a dissipative Fermi-Ulam model_*, Physical Review E, 13, 123012 (2011). doi: http://dx.doi.org/10.1088/1367-2630/13/12/123012
S. J. S. Franchi, A. V. G. Netto, A. E. Mauro, O. Treu-Filho, R. C. G. Frem, E. T. de Almeida, C. Torres and S. C. Lemos, *_Synthesis, characterization, thermal studies, and DFT calculations on Pd(II) complexes containing N-methylbenzylamine_*, J Therm Anal Calorim (2011) 106:391–397, doi: http://dx.doi.org/10.1007/s10973-011-1494-9
E. D. Leonel, D. R. da Costa and Carl P. Dettmann, *_Scaling invariance for the escape of particles from a periodically corrugated waveguide_*, Physics Letters, 376, 421-425 (2012), doi: http://dx.doi.org/10.1016/j.physleta.2011.11.027
D. F. T. de Sousa, R. N. C. Filho and E. D. Leonel, *_A dissipative Fermi Ulam model with two nonlinearities: boundary crisis and the parameter-space_* . Journal of Physics A. Physica A 392 (2013) 1762–1769, doi: http://dx.doi.org/10.1016/j.physa.2012.12.021
D. F.M. Oliveira, M. Robnik and E. D. Leonel, *_Statistical properties of a dissipative kicked system: Critical exponents and scaling invariance_*, Physics Letters, 376, 723-728 (2012). doi: http://dx.doi.org/10.1016/j.physleta.2011.12.031
D. F. M. Oliveira, M. Robnik, and E. D. Leonel, *_Shrimp-shape domains in a dissipative kicked rotator_*, Chaos, 21, 043122 (2011).Chaos. doi: http://dx.doi.org/10.1063/1.3657917.
A. Batagin-Neto, E. Bronze-Uhle, D. Fernandes, I. Fratoddi, I. Venditti, F. Decker, E. Bodo, M. V. Russo and C. Graeff, *_Optical Behavior of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma-Ray Radiation Doses_*, Journal of Physical Chemistry B, 115, 8047-8053 (2011). doi: http://dx.doi.org/10.1021/jp200831z. Epub 2011 Jun 9.
E. S. Bronze-Uhle, A. Batagin-Neto, F. C. Lavarda, and C. F. O. Graeff, *_Ionizing radiation induced degradation of poly (2-methoxy-5-(2’-ethyl-hexyloxy) -1,4-phenylene vinylene) in solution_*,J. Appl. Phys. 110, 073510 (2011); doi: http://dx.doi.org/10.1063/1.3644946
L. G. Felippe, J. M. Batista Jr., D. C. Baldoqui, I. R. Nascimento, M. J. Kato, V. S. Bolzani and M. Furlan, *_Structure and absolute configuration of a se
gnan from Peperomia blanda_*, Phytochemistry Letters, 4, 245-249 (2011). doi: http://dx.doi.org/10.1016/j.phytol.2011.04.007
E. F. de Oliveira and F. C. Lavarda, *_Conformation Structure of Conjugated Polymer P3HT in Solution_*, Physicæ Proceedings (2012). http://dx.doi.org/10.5196/physicae.proceedings.XIYRM.4
L. G. Felippe, J. M. B. Junior, D. C. Baldoqui, I. R. Nascimento, M. J. Kato, Y. He, L. A. Nafie and M. Furlan, *_VCD to determine absolute configuration of natural product molecules: secolignans from Peperomia blanda_*, Org. Biomol. Chem., (2012), Accepted Manuscript, doi: http://dx.doi.org/10.1039/C2OB25109D
M. R. Silva, D. R. da Costa and E. D. Leonel., *_Characterization of multiple reflections and phase space properties for a periodically corrugated waveguide_*, Journal of Physics A: Mathematical and Theoretical, 45, 26 (2012).[fonte: http://www.producao.usp.br/handle/BDPI/40884]
D. Carvalho, S. Schönwald, G. Dellagustin, E. de Santa-Helena, N. Lemke and G. Gerhardt, *_Sleep Spindle Frequency Modulation (Chirp) in Obstructive Sleep Apnea (P04.025)_*, G1 Clinical Neurophysiology, April 25, 2012; 78(Meeting Abstracts 1): P04.025, doi: http://dx.doi.org/10.1212/WNL.78.1_MeetingAbstracts.P04.025Neurology
T. Botari and E. D. Leonel, *_A one-dimensional Fermi accelerator model with moving wall described by a nonlinear van der Pol oscillator_*, Phys. Rev. E 87, 012904 – Published 7 January 2013, doi: http://dx.doi.org/10.1103/PhysRevE.87.012904
D. F. Tavaresa, E. D. Leonel and R.N. Costa Filho, *_Non-uniform drag force on the Fermi accelerator model_*, Physica A, 06, 44 (2012). doi: http://dx.doi.org/10.1016/j.physa.2012.06.044
Canedo, C., Haddad, C.F.B., *_Phylogenetic relationships within anuran clade Terrarana, with emphasis on the placement of Brazilian Atlantic rainforest frogs genus Ischnocnema (Anura:Brachycephalidae)_*, Molecular Phylogenetics and Evolution (2012), doi: http://dx.doi.org/10.1016/j.ympev.2012.07.016
S. V. Schönwald, D. Z. Carvalho, E. L de S. Helena, N. Lemke and Günther J L Gerhardt, *_Topography-specific spindle frequency changes in Obstructive Sleep Apnea_*, BMC Neuroscience, 13:89, doi: http://dx.doi.org/10.1186/1471-2202-13-89
A. L. P. Livorati, T. Kroetz, C. P. Dettmann, I. L. Caldas and E. D. Leonel, *_Stickiness in a bouncer model: A slowing mechanism for Fermi acceleration_*, Phyiscal Review E, vol. 86, pp. 036203, 2012, doi: http://dx.doi.org/10.1103/PhysRevE.86.036203
William F. Porto, Valéria A. Souza, Diego O. Nolasco, Octávio L. Franco, *_In silico identification of novel hevein-like peptide precursors_*, Peptides, Volume 38, Issue 1, November 2012, Pages 127-136, ISSN 0196-9781, http://dx.doi.org/10.1016/j.peptides.2012.07.025. (http://www.sciencedirect.com/science/article/pii/S0196978112003269)*
Diego F.M. Oliveira and E. D. Leonel, *_Dynamical properties for the problem of a particle in an electric field of wave packet: Low velocity and relativistic approach_*, Physics Letters A (November 2012), doi: http://dx.doi.org/10.1016/j.physleta.2012.10.052
L. G. Verga, M. M. Bonilha, M. Carlone, P. A. Venegas, *_Critical Currents and Melting Temperature of a Two-dimensional Vortex Lattice with Periodic Pinning_*, (Submitted on 7 Nov 2012), http://arXiv:1211.1561 [cond-mat.supr-con]
A. Batagin-Neto, E. F. Oliveira, C. F.O. Graeff & F. C. Lavarda, *_Modelling polymers with side chains: MEH-PPV and P3HT_*, 12 Oct 2012, doi: http://dx.doi.org/10.1080/08927022.2012.724174
C. P. Dettmann and E. D. Leonel, *_Periodic volume fluctuations with infinite horizon: Intermittency enhanced Fermi acceleration_*, (Submitted on 21 Dec 2012), http://arxiv.org/abs/1212.5482v1
A. L.P. Livorati, A. Loskutov and E. D. Leonel, *_A peculiar Maxwell’s Demon observed in a time-dependent stadium-like billiard_*, Physica A: Statistical Mechanics and its Applications, Volume 391, Issue 20, 15 October 2012, Pages 4756–4762, doi: http://dx.doi.org/10.1016/j.physa.2012.05.002
J. A de Oliveira and E. D. Leonel, *_Dissipation and its consequences in the scaling exponents for a family of two-dimensional mappings_*, 2012 J. Phys. A: Math. Theor. 45 165101, doi: http://dx.doi.org/10.1088/1751-8113/45/16/165101
D. G. Ladeira and E. D. Leonel, *_Scaling investigation for the dynamics of charged particles in an electric field accelerator_*, Chaos: An Interdisciplinary Journal of Nonlinear Science, 22, 043148 (2012); doi: http://dx.doi.org/10.1063/1.4772997
D. F.M. Oliveira and E. D. Leonel, *_Some dynamical properties of a classical dissipative bouncing ball model with two nonlinearities_*, Original Research Article, Physica A: Statistical Mechanics and its Applications, In Press, Accepted Manuscript, Available online 3 January 2013, doi: http://dx.doi.org/10.1016/j.physa.2012.12.021
Oliveira, E. F. d., Camilo-Jr, A., Silva-Filho, L. C. d. and Lavarda, F. C. (2013), *_Effect of chemical modifications on the electronic structure of poly(3-hexylthiophene)_*, J. Polym. Sci. B Polym. Phys., doi: http://dx.doi.org/10.1002/polb.23274
N. H. Morgon, *_Estudo teórico das transições eletrônicas usando métodos simples e sofisticados_*, Quím. Nova vol.36 no.4 São Paulo 2013, doi: http://dx.doi.org/10.1590/S0100-40422013000400019
R.P. Simões, P.A. Venegas and D.F. Mello, *_The Effects of Pinning on Critical Currents of Superconducting Films_*, J Supercond Nov Magn (2013) 26:2281–2284, doi: http://dx.doi.org/10.1007/s10948-012-1427-2
J. A. de Oliveira, E. R. Papesso and E. D. Leonel, *_Relaxation to Fixed Points in the Logistic and Cubic Maps: Analytical and Numerical Investigation_*, Entropy 2013, 15, 4310-4318; doi: http://dx.doi.org/10.3390/e15104310
J. Cota, L. C. Oliveira, A. R.L. Damásio, A. P. Citadini, Z. B. Hoffmam, T. M. Alvarez, C. A. Codima, V. B.P. Leite, G. Pastore, M. de Oliveira-Neto, M. T. Murakami, R. Ruller, and F. M. Squina, *_Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations_*, Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, Elsevier, doi: http://dx.doi.org/10.1016/j.bbapap.2013.02.030
A.R. Albuquerque, J. Maul, E. Longo, I.M.G. Santos, and J.R. Sambrano, *_Hydrostatic and [001] Uniaxial Pressure on Anatase TiO by Periodic B3LYP-D* Calculations_*, J. Phys. Chem. C, doi: http://dx.doi.org/10.1021/jp311572y, Publication Date (Web): 20 Mar 2013
S. J. de Carvalho and D. L. Zago Caetano, *_Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions_*, J. Chem. Phys. 138, 244909 (2013); doi: http://dx.doi.org/10.1063/1.4811842
G. L. Perpetuo, D. A. Galico, R. A. Fugita, R. A. E. Castro, M. E. S. Eusebio, O. Treu-Filho, A. C. M. Silva and G. Bannach, *_Thermal behavior of some antihistamines_*, J Therm Anal Calorim (2013) 111:2019–2028, doi: http://dx.doi.org/10.1007/s10973-012-2247-0
A. C. Ferraretto, R. S. Nunes, J. M. Luiz, F. J. Caires, O. Treu-Filho, and M. Ionashiro, *_Synthesis, characterization, thermal behavior, and DFT calculation of solid 1,4-bis(3-carboxy-3-oxo-prop-1-enyl) benzene of some trivalent lanthanides_*, J Therm Anal Calorim, doi: http://dx.doi.org/10.1007/s10973-014-4016-8
M. Fasciotti, P. M. Lalli, G. Heerdt, R. A. Steffen, Y. E. Corilo, G. F. de Sá, R. J. Daroda, F. de A. M. Reis, N. H. Morgon, R. C. L. Pereira, M. N. Eberlin and C. F. Klitzke, *_Structure-drift time relationships in ion mobility mass spectrometry_*,doi: http://dx.doi.org/10.1007/s12127-013-0129-1, Published online: 20 March 2013
V.G.Contessoto, D.T. Lima, R.J.Oliveira, A.T.Bruni, J. Chahine, V.B.P. Leite, *_Analyzing the effect of homogeneous frustration in protein folding_*, doi: http://dx.doi.org/10.1002/prot.24309, ‘Accepted Article’, March 13, 2013
J. A. de Oliveira, C. P. Dettmann, D. R. da Costa and E. D. Leonel, *_Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings_*,doi: http://dx.doi.org/10.1103/PhysRevE.87.062904 Received 23 October 2012; revised 5 December 2012; published 10 June 2013
D. F. Tavares, A.D. Araujo, E. D. Leonel, R.N. Costa Filho, *_Dynamical properties for a mixed Fermi accelerator model_*, Physica A: Statistical Mechanics and its Applications, Available online 24 May 2013, doi: http://dx.doi.org/10.1016/j.physa.2013.05.027
D. R. da Costa, I.L. Caldas, E. D. Leonel, *_Dynamical properties for an ensemble of classical particles moving in a driven potential well with different time perturbation_*, Physics Letters A, Volume 377, Issues 31–33, 30 October 2013, Pages 1814–1821, doi: http://dx.doi.org/10.1016/j.physleta.2013.05.050
E.F. Oliveira, F.C. Lavarda, *_Structure of P3HT in the solid state_*, Journal of Polymer Science Part B: Polymer Physics, 2013 doi: http://dx.doi.org/10.1002/polb.23338
J. A. de Oliveira and E. D. Leonel, *_A rescaling of the phase space for Hamiltonian map: Applications on the Kepler map and mappings with diverging angles in the limit of vanishing action_*, Applied Mathematics and Computation, Volume 221, 15 September 2013, Pages 32–39 doi: http://dx.doi.org/10.1016/j.amc.2013.06.045
F.J. Caires, A.C. Gigante, D.J.C. Gomes, O. Treu-Filho, M. Ionashiro, *_Synthesis, thermal behaviour and spectroscopic study of trivalent lanthanide and yttrium(III) α-hydroxyisobutyrates, in solid state_*,Thermochimica Acta, Available online 11 July 2013, In Press, Accepted Manuscript, doi: http://dx.doi.org/10.1016/j.tca.2013.06.034
D.A. Gálico, G.L. Perpétuo, R.A.E. Castro, O. Treu-Filho,A. O. Legendre, M. S. Galhiane, G. Bannach, *_Thermoanalytical study of nimesulide and their recrystallization products obtained from solutions of several alcohols_*, Received: 7 March 2013 / Accepted: 10 June 2013, Journal of Thermal Analysis and Calorimetry, doi: http://dx.doi.org/10.1007/s10973-013-3294-x
A.C. Gigante, F.J. Caires, D.J.C. Gomes, L.S. Lima, O. Treu-Filho, M. Pivatto, M. Ionashiro, *_Spectroscopic study and thermal behavior of trivalent lanthanides and yttrium (III) chelates of EDTA using TG-DSC, FTIR, and TG-DSC coupled to FTIR_*,Received: 21 February 2013 / Accepted: 6 June 2013, Journal of Thermal Analysis and Calorimetry, doi: http://dx.doi.org/10.1007/s10973-013-3284-z
Diego Z. Carvalho, Günther J.L. Gerhardt, Guilherme Dellagustin, Emerson L. de Santa-Helena, Ney Lemke, Alan Z. Segal, Suzana V. Schönwald, *_Loss of sleep spindle frequency deceleration in Obstructive Sleep Apnea_*, Clinical Neurophysiology, Available online 27 July 2013, ISSN 1388-2457, doi: http://dx.doi.org/10.1016/j.clinph.2013.07.005.
de Mendonça MR, Rizzi LG, Contessoto V, Leite VB, Alves NA, *_Inferring a Weighted Elastic Network from Partial Unfolding with Coarse-grained Simulations_*, Proteins: Structure, Function, and Bioinformatics, Accepted Article, doi: http://dx.doi.org/10.1002/prot.24381
da Costa, D. R., C. P. Dettmann, and E. D. Leonel., *_Circular, Elliptic and Oval Billiards in a Gravitational Field_*, arXiv preprint arXiv:1308.0362 (2013). http://arxiv.org/pdf/1308.0362.pdf
da Costa, Diogo Ricardo, Mário R. Silva, and E. D. Leonel. *_Escape Beam Statistics and dynamical Properties for a Periodically Corrugated Waveguide._*, Communications in Nonlinear Science and Numerical Simulation (2013), doi: http://dx.doi.org/10.1016/j.cnsns.2013.08.009
Barra, Carolina V., et al. *_Synthesis, Cytotoxic Activity and DNA Interaction of Pd (II) Complexes Bearing N’-methyl-3, 5-dimethyl-1-thiocarbamoylpyrazole._* Polyhedron (2013). doi: http://dx.doi.org/10.1016/j.poly.2013.08.040
C.P. Dettmann and E.D. Leonel, *_Periodic Compression of an Adiabatic Gas: Intermittency-enhanced Fermi acceleration_*, EPL (Europhysics Letters), 2013, 103 40003, doi: http://dx.doi.org/10.1209/0295-5075/103/40003
R.S. Borges, J. Batista Jr, R.B. Viana, A.C. Baetas, E. Orestes,M. A. Andrade, K. M. Honório and A. B. F. da Silva, *_Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants_*, Molecules 2013, 18, 12663-12674; doi: http://dx.doi.org/10.3390/molecules181012663
A. L. P. Livorati, Matheus S. Palmero, Carl P. Dettmann, I. L. Caldas and E. D. Leonel, *_Separation of particles leading to decay and unlimited growth of energy in a driven stadium-like billiard_*, Submitted on 14 Oct, 2013, http://arxiv.org/abs/1310.3615v1
D.A. Gálico, B.B.C. Holanda, R.B. Guerra, A.O. Legendre, D. Rinaldo, O. Treu-Filho, G. Bannach, *_Thermal and Spectroscopic Studies on Solid Ibuprofen Complexes of Lighter Trivalent Lanthanides_*, Accepted Manuscript 05 Nov, 2013, doi: http://dx.doi.org/doi:10.1016/j.tca.2013.11.005
Batagin-Neto, Augusto; S. Bronze-Uhle, Erika; V. G. Vismara, Marcus; P. Assis, Andrei; A. Castro, Fernando; Geiger, Thomas; C. Lavarda, Francisco; F. O. Graeff, Carlos, *_Gamma-Ray Dosimetric Properties of Conjugated Polymers in Solution_*, Current Physical Chemistry, Volume 3, Number 4, December 2013, pp. 431-440(10), doi; http://dx.doi.org/10.2174/18779468113036660026
A. L. P. Livorati, O. Georgiou, C. P. Dettmann and E. D. Leonel, *_Escape through a Time-dependent Hole in the Doubling Map_*, 25 December, 2013, arxiv http://arxiv.org/abs/1312.7030v1
A. Alves, F. de Campos, M. Dias, J.M.H. da Silva, *_Searching for Elko Dark Matter Spinors at the CERN LHC_*, High Energy Physics - Phenomenology (hep-ph), Submitted on 6 Jan 2014, arxiv: http://arxiv.org/abs/1401.1127v1
R.B. Viana, A.R. Guimarães, A.R. de Souza, A.B.F. da Silva, *_Molecular Properties of the PCO Radical: Heat of Formation and the Isomerization Pathways_*, Journal of Molecular Modeling, 2014 Feb;20(2):2074. doi: http://dx.doi.org/10.1007/s00894-014-2074-2. Epub 2014 Feb 8.
E.D. Leonel, A.L.P. Livorati, A.M. Cespedes, *_A Theoretical Characterization of Scaling Properties in a Bouncing Ball System_*,Physica A: Statistical Mechanics and its Applications, Available online 28 February 2014, doi: http://dx.doi.org/10.1016/j.physa.2014.02.053
W.F. Porto, D.O. Nolasco, O.L. Franco, *_Native and Recombinant Pg-AMP1 Show Different Antibacterial Activity Spectrum but Similar Folding Behavior_*, Peptides, Available online 26 February 2014, doi: http://dx.doi.org/10.1016/j.peptides.2014.02.010
E de S. Candido, G. da R. Fernandes, S. A. de Alencar, Marlon Henrique e Silva Cardoso, S. M. de F. Lima, V. de J. Miranda, W. F. Porto, D. O. Nolasco, N. G. de Oliveira-Junior, A. E. A de D. Barbosa, R. E. Pogue, T. M. B. Rezende, S. C. Dias, O. L. Franco, *_Shedding Some Light over the Floral Metabolism by Arum Lily (Zantedeschia aethiopica) Spathe De Novo Transcriptome Assembly_*, Plos One, March 2014, Vol.9, Issue 3, e90487 Published: March 10, 2014, doi: http://dx.doi.org/10.1371/journal.pone.0090487
D.J.C. Gomes, F.J. Caires, R.C. Silva, O. Treu-Filho, M. Ionashiro, *_Synthesis, characterization, thermal and spectroscopic studies of solid glycolate of light trivalent lanthanides, except promethium_*, Thermochimica Acta, In Press, Accepted Manuscript, Available online 30 March 2014, doi: http://dx.doi.org/10.1016/j.tca.2014.03.032
A.R. Albuquerque, A. Bruix, I.M.G. Santos, J.R. Sambrano, and F. Illas, *_A DFT Study on Ce-doped Anatase TiO: Nature of Ce and Ti Centers Triggered by Oxygen Vacancy Formation_*, J. Phys. Chem. C, Just Accepted Manuscript, Publication Date (Web): 10 Apr 2014, doi: http://dx.doi.org/10.1021/jp501757f
D. R. da Costa, I. L. Caldas, E. D. Leonel, *_Phase space properties and chaotic transport for a particle moving in a time dependent step potential well_*, Applied Mathematics and Computation, Volume 236, 1 June 2014, Pages 215–228, doi: http://dx.doi.org/10.1016/j.amc.2014.03.021
Hoffmam, Zaira B. ; Oliveira, Leandro C. ; Cota, Junio ; Alvarex, Thabata M. ; Diogo, José A. ; Oliveira Neto, Mario ; Citadini, Ana Paula S. ; Leite, Vitor B. P. ; Squina, Fabio M. ; Murakami, Mario T. ; Ruller, Roberto. *_Characterization of a Hexameric Exo-Acting GH51 α-l-Arabinofuranosidase from the Mesophilic Bacillus subtilis*, doi: http://dx.doi.org/10.1007/s12033-013-9677-1 .
R. M. Ferreira, M. Motta, A. Batagin-Neto, C. F. de O. Graeff, P. N. Lisboa-Filho, F. C. Lavarda, *_Theoretical Investigation of Geometric Configurations and Vibrational Spectra in Citric Acid Complexes_*, Received: April 15, 2013; Revised: March 22, 2014, Mat. Res. vol.17 no.3 São Carlos May/June 2014 Epub May 09, 2014, doi: http://dx.doi.org/10.1590/S1516-14392014005000056
A. Batagin-Neto, A. P. Assis, J. F. Lima, C. J. Magon, L. Yan, M. Shao, B. Hu, and C. F.O. Graeff, *_Light Induced Structural Change in Iridium Complexes Studied by Electron Spin Resonance_*, J. Phys. Chem. A, Just Accepted Manuscript, Publication Date (Web): May 8, 2014, doi: http://dx.doi.org/10.1021/jp503831p
E. D. Leonel and A. L. P. Livorati, *_Thermodynamics of a bouncer model: a simplified one-dimensional gas_*, Preprint submitted to Communications in Nonlinear Science and Numerical Simulation, May 9, 2014, http://arxiv.org/abs/1405.2030v1
Í. P. Carusoa, W. Vilegasc, F. P. de Souzaa, M. A. Fosseya, M. L. Cornélio, *_Binding of antioxidant flavone isovitexin to human serum albumin investigated by experimental and computational assays_*, Journal of Pharmaceutical and Biomedical Analysis, Available online 22 May 2014, doi: http://dx.doi.org/10.1016/j.jpba.2014.05.015
Vega-Teijido, Mauricio Angel, Sarah El Chamy Maluf, Camila Ramalho Bonturi, Julio Ricardo Sambrano, and Oscar N. Ventura. *_Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1, 2, 4-thiadiazole derivatives_*, Journal of Molecular Modeling 20, no. 6 (2014): 1-14., doi: http://dx.doi.org/10.1007/s00894-014-2254-0
Sidney J. de Carvalho, Ralf Metzlerbc and Andrey G. Cherstvy. *_Critical adsorption of polyelectrolytes onto charged Janus nanospheres_*, Phys. Chem. Chem. Phys., 2014, Advance Article, doi: http://dx.doi.org/10.1039/C4CP02207F
D.R. da Costa, C.P. Dettmann, E.D. Leonel, *_Transport and dynamical properties for a bouncing ball model with regular and stochastic perturbations_*, Communications in Nonlinear Science and Numerical Simulation (2014), doi: http://dx.doi.org/10.1016/j.cnsns.2014.06.046
A. R. Albuquerque, I. M. G. Santos e Júlio R. Sambrano, *_Propriedades Estruturais e Eletrônicas de Nanofilmes de Tio2 Anatase: Cálculos B3lyp-D em Sistemas Periódicos Bidimensionais_*, Quim. Nova, Vol. XY, No. 00, 1-6, 200_, Recebido em 23/01/2014; aceito em 14/05/2014; publicado na web em 15/07/2014, http://quimicanova.sbq.org.br/imagebank/pdf/AR14055.pdf
R. B. Viana and A. B. F. da Silva, *_The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties_*, J Mol Model (2014) 20:2372, Received: 3 April 2014, Accepted: 29 June 2014, doi: http://dx.doi.org/10.1007/s00894-014-2372-8
R. B. Viana, A. R. de Souza, B. S. Lima-Neto and A. B.F. da Silva, *_On the stability of the RuCl2(triphenylphosphine)2(amine) complexes: ligand substituent effects of cyclic and acyclic amines_*, Accepted Manuscript, Polyhedron, Received 3 April 2014, Accepted 9 July 2014, doi: http://dx.doi.org/10.1016/j.poly.2014.07.028
T. A. D. Colman, D. J. C. Gomes, F. J. Caires, O. Treu Filho, R. de C. da Silva and M. Ionashiro, *_Synthesis, thermal and spectroscopic study of light lanthanide nicotinate, in the solid state_*, Thermochimica Acta, Received 27-3-2014, Revised 11-6-2014, Accepted 13-6-2014 doi: http://dx.doi.org/10.1016/j.tca.2014.06.013
F. Brusquetti, M. Jansen, C. Barrio-Amorós, M. Segalla and C. F. B. Haddad, *_Taxonomic review of Scinax fuscomarginatus (Lutz, 1925) and related species (Anura; Hylidae)_*,The Linnean Society of London, Zoological Journal of the Linnean Society, 2014, 171, 783–821. doi: http://dx.doi.org/10.1111/zoj.12148
E. F. Oliveira and F. C. Lavarda, *_Effect of the length of alkyl side chains in the electronic structure of conjugated polymers_*, Materials Research, doi: http://dx.doi.org/10.1590/1516-1439.278814
Porto WF, Maria-Neto S, Nolasco DO, Franco OL (2014), *_Screening and Functional Prediction of Conserved Hypothetical Proteins from Escherichiacoli_*, J Proteomics Bioinform 7: 203-213. doi: http://dx.doi.org/10.4172/jpb.1000321
D. R. da Costa, D. F. M. Oliveira and E. D. Leonel, *_Dynamical and statistical properties of a rotating oval billiard_*, Communications in Nonlinear Science and Numerical Simulation, Volume 19, Issue 6, June 2014, Pages 1926–1934 doi: http://dx.doi.org/10.1016/j.cnsns.2013.10.007
D. T. B. De Salvi, H. da S. Barud, O. Treu-Filho, A.a Pawlicka, R. I. Mattos and E. Raphael, S. J. L. Ribeiro, *_Preparation, thermal characterization, and DFT study of the bacterial cellulose Triethanolamine system_*, J Therm Anal Calorim, doi: http://dx.doi.org/10.1007/s10973-014-3969-y
C. G. Oliveira, P. I. da S. Maia, P. C. Souza, F. R. Pavan, C. Q.F. Leite, R. B. Viana, A. A. Batista, O. R. Nascimento and V. M. Deflon, *_Manganese(II) complexes with thiosemicarbazones as potential anti-Mycobacterium tuberculosis agents_*, Journal of Inorganic Biochemistry, Volume 132, March 2014, Pages 21–29, doi: http://dx.doi.org/10.1016/j.jinorgbio.2013.10.011
D. F. M. Oliveira and E. D. Leonel, *_In-flight and collisional dissipation as a mechanism to suppress Fermi acceleration in a breathing Lorentz gas_*, Chaos 22, 026123 (2012); doi: http://dx.doi.org/10.1063/1.3697392
D. Gouvêa Ladeira and E. D. Leonel, *_Dynamics of a charged particle in a dissipative Fermi-Ulam model_*, (Submitted on 11 Dec 2013), Chaotic Dynamics, http://arxiv.org/abs/1312.3160
G. J. L. Gerhardt, N. Lemke, D. Z. Carvalho, E. L. de Santa-Helena, S. V.Schonwald, G. Dellagustin and J. L. Rybarczyk Filho, *_Analysis of EEG Sleep Spindle Parameters fromApnea Patients Using Massive Computing and Decision Tree_*, SCIENTIA CUM INDUSTRIA(SCI. CUM IND.), V. 2, N. 1, PP. 15 — 18, 2014
A. L. P. Livorati, M. S. Palmero, C. P. Dettmann, I. L. Caldas and E. D. Leonel, *_Separation of particles leading either to decay or unlimited growth of energy in a driven stadium-like billiard_*, J. Phys. A: Math. Theor. 47 365101 doi: http://dx.doi.org/10.1088/1751-8113/47/36/365101
V.M. de Oliveira and S.J. de Carvalho, *_Adsorption of pH-responsive polyelectrolyte chains onto spherical macroions_*, Eur. Phys. J. E (2014) 37: 75, Communications in Nonlinear Science and Numerical Simulation, doi: http://dx.doi.org/10.1140/epje/i2014-14075-4
D. R. da Costa, *_A dissipative Fermi-Ulam model under two different kinds of dissipation_*, Communications in Nonlinear Science and Numerical Simulation, 2014, doi: http://dx.doi.org/10.1016/j.cnsns.2014.09.006
E. F. Oliveira and F. C. Lavarda, *_Molecular design of new P3HT derivatives: Adjusting electronic energy levels for blends with PCBM_*, Materials Chemistry and Physics, 2014, doi: http://dx.doi.org/10.1016/j.matchemphys.2014.09.002
A. L. P. Livorati, I. L. Caldas, C. P. Dettmann and E. D. Leonel, _*Crises in a dissipative Bouncing ball model*_, 2014, http://arxiv.org/abs/1409.8279v1
T. H. Ito, P. C. M. L. Miranda, N. H. Morgon, G. Heerdt, C. A. Dreiss and Edvaldo Sabadini, _*Molecular Variations in Aromatic Cosolutes: Critical Role in the Rheology of Cationic Wormlike Micelles*_, 2014, doi: http://dx.doi.org/10.1021/la502649j
R. C. de Andrade, C. F. de Almeida, A. B. de Siqueira, O. Treu-Filho, F. J. Caíres and C. T. de Carvalho, *_Thermal and spectroscopic study of the 3,4-(methylenedioxy)cinnamate compounds of transition metals in the solid state_*, Thermochimica Acta, Available online 8 October 2014, doi: http://dx.doi.org/10.1016/j.tca.2014.10.004
O. A. Naranjo-Montoya, L. M. Martins, L. C. da Silva-Filho, A. Batagin-Neto and F. C. Lavarda, *_The Correlation Between Electronic Structure and Antimalarial Activity of Tetrahydropyridines_*, J. Braz. Chem. Soc., Vol. 00, No. 00, 1-11, 2014, Submitted on: July 29, 2014, Published online: November 11, 2014 doi: http://dx.doi.org/10.5935/0103-5053.20140263
T. A. D. Colman, D. J. C. Gomes, F. J. Caires, O. Treu-Filho, R. de C. da Silva and M. Ionashiro, _*Synthesis, evolved gas analysis (EGA) during pyrolysis and spectroscopic study of light lanthanide nicotinate in solid state*_, Journal of Analytical and Applied Pyrolysis, Available online 2 December 2014, doi: http://dx.doi.org/10.1016/j.jaap.2014.11.021
A. Alves, F. de Campos and M. Dias, *_Searching for Elko dark matter spinors at the CERN LHC_*, International Journal of Modern Physics A, Vol. 30, No. 1 (2015) 1550006 (13 pages), World Scientific Publishing Company, doi: http://dx.doi.org/10.1142/S0217751X15500062
D. A. Teixeira, M. A. G. Valente Jr., A. V. Benedetti, G. T. Feliciano, S. C. da Silva, and C. S. Fugivara, _*Experimental and Theoretical Studies of Volatile Corrosion Inhibitors Adsorption on Zinc Electrode*_, J. Braz. Chem. Soc., Vol. 00, No. 00, 1-17, 2015, doi: http://dx.doi.org/10.5935/0103-5053.20140296
J.A. de Oliveira and E.D. Leonel, _*Scaling properties and universality in a ratchet system*_, Eur. Phys. J. Special Topics 223, 2969–2978 (2014), doi: http://dx.doi.org/10.1140/epjst/e2014-02310-0
A.L.P. Livorati, J.A. de Oliveira, D.G. Ladeira, and E.D. Leonel, _*Time-dependent properties in two-dimensional and Hamiltonian mappings*_, Eur. Phys. J. Special Topics 223, 2953–2958 (2014), doi: http://dx.doi.org/10.1140/epjst/e2014-02308-6
A. Batagin-Neto, E.S. Bronze-Uhle, C.F.O Graeff, _*Electronic structure calculations of ESR parameters for melanin units.*_ PCCP. Physical Chemistry Chemical Physics, Advance Article, 2015. doi: http://dx.doi.org/10.1039/C4CP05256K
R. S. Galaverna, G. A. Bataglion, G. Heerdt, G. F. de Sa, R. Daroda, V. S. Cunha, N. H. Morgon and M. N. Eberlin, _*Are Benzoic Acids Always More Acidic Than Phenols? The Case of ortho-, meta-, and para-Hydroxybenzoic Acids*_ , Article first published online: 18 FEB 2015 doi: http://dx.doi.org/10.1002/ejoc.201403528
Rommel B. Viana, , Albérico B.F. da Silva, _*Interaction between PH3 and small water clusters: Understanding the electronic and spectroscopic properties*_ , Computational and Theoretical Chemistry, Volume 1059, 1 May 2015, Pages 35–44, doi: http://dx.doi.org/10.1016/j.comptc.2015.02.007
L. C. de Oliveira, V. M. da Silva, F. Colussi, A. D. Cabral, M. de O. Neto, F. M. Squina, W. Garcia, _*Conformational Changes in a Hyperthermostable Glycoside Hydrolase: Enzymatic Activity Is a Consequence of the Loop Dynamics and Protonation Balance*_ , Published: February 27, 2015, doi: http://dx.doi.org/10.1371/journal.pone.0118225
S. J. de Carvalho, R. Metzler, A. G. Cherstvy, _*Inverted critical adsorption of polyelectrolytes in confinement*_, (Submitted on 6 Mar 2015), arXiv:1503.02040 [cond-mat.soft]
A. F. Monteiro , J. M. Batista Jr., M. A. Machado, R. P. Severino , E. W. Blanch , V. S. Bolzani , P. C. Vieira , and V. G. P. Severino, _*Structure and Absolute Configuration of Diterpenoids from Hymenaea stigonocarpa*_ , Publication Date (Web): June 3, 2015, doi: http://dx.doi.org/10.1021/acs.jnatprod.5b00166
Electronic structure of a hydrogenated gallium nitride nanoparticle
F. C. Lavarda, Z. de S. Schiaber, L. de C. D. Aguiar, E. F. Oliveira, D. M. G. Leite, A. Camilo Jr, and J. H. D. da Silva, _*Electronic structure of a hydrogenated gallium nitride nanoparticle*_, Article first published online: 17 jul 2015, http://dx.doi.org/10.1002/pssb.201552333
D. Venturini, B. Pastrello, M. L. Zeraik, I. Pauli, A. D. Andricopulo, L. C. Silva-Filho, V. S. Bolzani, N. H. Morgon, A. R. da Souza and Valdecir F. Ximenes, _*Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroism*_, http://dx.doi.org/10.1039/C5RA10960D (Paper) RSC Adv., 2015, 5, 62220-62228
Diogo Ricardo da Costa, Carl P. Dettmann, Juliano A. de Oliveira, and Edson D. Leonel, _*Dynamics of classical particles in oval or elliptic billiards with a dispersing mechanism*_ ,
Chaos 25, 033109 (2015), doi: http://dx.doi.org/10.1063/1.4915474
S. J. de Carvalho, R. Metzler and A. G. Cherstvy, _*Inverted critical adsorption of polyelectrolytes in confinement*_ , Soft Matter, 2015,11, 4430, Received 17th March 2015, Accepted 15th April 2015, arXiv preprint arXiv:1503.02040, 2015 , doi: http://dx.doi.org/10.1039/c5sm00635
M. E. F. Pinto, J. M. Batista Jr., J. Koehbach, P. Gaur, A. Sharma, M. Nakabashi, E. M. Cilli, G. M. Giesel, H. Verli, C. W. Gruber, Ewan W. Blanch, J. F. Tavares, M. S. da Silva, C. R. S. Garcia, and V. S. Bolzani, _*Ribifolin, an Orbitide from Jatropha ribifolia, and Its Potential Antimalarial Activity*_ , J. Nat. Prod., 2015, 78 (3), pp 374–380, Publication Date (Web): February 20, 2015 doi: http://dx.doi.org/10.1021/np5007668
R. B. Viana, A. B.F. da Silva, _*Electronic properties of the AsCO, AsSiO and AsGeO radicals: Linear or cyclic?*_ , Polyhedron Volume 89, 29 March 2015, Pages 160–167, doi: http://dx.doi.org/10.1016/j.poly.2015.01.010
R. B. Guerra , D. A. Gálico , B. B. C. Holanda , O. Treu-Filho ,A. O. Legendre , G. Bannach, _*New complexes of lighter trivalent lanthanides with indomethacin anti-inflammatory drug: synthesis, thermal properties and spectroscopic study in the solid state.*_ , Available online at www.bjta.iiatbr.org Braz. J. Therm. Anal. Vol. 4 No. 1-2 (2015) 13 – 20
doi: http://dx.doi.org/10.18362/bjta.v4.i1-2.72
F. C. Lavarda, Z. de S. Schiaber, L. de C. D. Aguiar, E. F. Oliveira, D. M. G. Leite, A. Camilo Jr and J. H. D. da Silva, _*Electronic structure of a hydrogenated gallium nitride nanoparticle*_ , Article first published online: 17 JUL 2015, doi: http://dx.doi.org/10.1002/pssb.201552333
A. L. P. Livorati, C. P. Dettmann, I. L. Caldas, and E. D. Leonel, _*On the statistical and transport properties of a non-dissipative Fermi-Ulam model*_,
Chaos 25, 103107 (2015), Received 10 April 2015, accepted 31 August 2015, published online 14 September 2015, doi: http://dx.doi.org/10.1063/1.4930843
J. M. Batista Jr. , B. Wang, M. V. Castelli, E. W. Blanchd and S. N. López, _*Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods*_ , Tetrahedron Letters, Received 21 August 2015, Revised 21 September 2015, Accepted 23 September 2015, Available online 26 September 2015 doi:10.1016/j.tetlet.2015.09.102
M. A. Coronado , A. Ullah , L. Sussushi , D. Chaves-Moreira , L. Vuitika , S.S. Veiga b , J. Chahine , M.T. Murakami and R.K. Arni, _*Structural insights into substrate binding of brown spider venom class II phospholipases D*_ , Current Protein and Peptide Science (Impact Factor: 3.15). 05/2015; 16(8). doi: http://dx.doi.org/10.2174/1389203716666150505231625
Í. P. Carusoa, J. M. B. Filho, A. S. de Araújo, F. P. de Souza, M. A. Fossey and M. L. Cornélio, *_An integrated approach with experimental and computational tools outlining the cooperative binding between 2-phenylchromone and human serum albumin_*, Food Chemistry, 2015
doi: http://dx.doi.org/10.1016/j.foodchem.2015.10.027
W. F. Porto, D. O. Nolasco, Á. S. Pires, G. R Fernandes, O. L. Franco and Sérgio A Alencar, _*HD5 and HBD1 variants' solvation potential energy correlates with their antibacterial activity against escherichia coli*_ , Accepted manuscript online: 13 November 2015
doi: http://dx.doi.org/10.1016/bip.22763
T. Botari, R. Paupitz, P. A. da S. Autreto and D. S. Galvao, _*Graphene healing mechanisms: A theoretical investigation*_ , Carbon 99 (2016) 302e309, 2015 Elsevier, doi: http://dx.doi.org/10.1016/j.carbon.2015.11.070
E. F. Oliveira, J. C. Roldao, B. Milián-Medina, F. C. Lavarda and J. Gierschner, _*Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series, Chemical Physics Letters*_, Volume 645, February 2016, Pages 169–173, http://doi:10.1016/j.cplett.2015.12.059
E. F. Oliveira and F. C. Lavarda, _*Copolymers with similar comonomers: Tuning frontier orbital energies for application in organic solar cells*_, 2016 Society of Plastics Engineers, Article first published online: 18 JAN 2016, doi: http://dx.doi.org/10.1002/pen.24275
I. Cesarino, R. P. Simões, F. C. Lavarda, A. Batagin-Neto, _*Electrochemical oxidation of sulfamethazine on a glassy carbon electrode modified with graphene and gold nanoparticles*_, Electrochimica Acta, Volume 192, 20 February 2016, Pages 8–14, doi: http://dx.doi.org/10.1016/j.electacta.2016.01.178
D. C. Ferreira,M. G. van der Linden, L. C. de Oliveira, J. N. Onuchic and A. F. P. de Araújo, _*Information and redundancy in the burial folding code of globular proteins within a wide range of shapes and sizes*_, Accepted manuscript online: 27 January 2016, doi: http://dx.doi.org/10.1002/prot.2499
A.L.C.S. do Nascimento, J.A. Teixeira, W.D.G. Nunes, F.X. Campos, O. Treu-Filho, F.J. Caires, M. Ionashiro, _*Thermal behavior, spectroscopic study and evolved gas analysis (EGA) during pyrolysis of picolinic acid, sodium picolinate and its light trivalent lanthanide complexes in solid state*_ , Journal of Analytical and Applied Pyrolysis, Available online 15 February 2016
doi: http://dx.doi.org/10.1016/j.jaap.2016.01.010
R. F. Sprenger , S. S. Thomasi , A. G. Ferreira , Q. B. Cass and J. M. Batista Junior, _*Solution-state conformations of natural products from chiroptical spectroscopy: the case of isocorilagin*_, (Paper) Org. Biomol. Chem., 2016, 14, 3369-3375, doi: http://dx.doi.org/10.1039/C6OB00049E
L. P. M. Zanin, A. S. de Araujo , M. A. Juliano, T. Casella, M. C. L. Nogueira and J. R. Neto, _*Effects of N-terminus modifications on the conformation and permeation activities of the synthetic peptide L1A*_ , Amino Acids,pp 1-12, doi: http://dx.doi.org/10.1007/s00726-016-2196-1
D. R. da Costa, M Hansen, G Guarise, R O. Medrano-T and E D. Leonel, _*The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps*_ , Physics Letters A, Volume 380, Issues 18–19, 22 April 2016, Pages 1610–1614, doi: http://dx.doi.org/10.1016/j.physleta.2016.02.049
R. T. F. de Souza , G. J. L. Gerhardt, S. V. Schönwald, J. L.z Rybarczyk-Filho and N. Lemke, _*Synchronization and Propagation of Global Sleep Spindles*_ , Plus One, Published: March 10, 2016 doi: http://dx.doi.org/10.1371/journal.pone.0151369
R. B. Viana, G. L.O. Ribeiro, S. F.F. Santos, D. E. Quintero, A. B. Viana, A. B.F. da Silva and R. Moreno-Fuquen, _*Intramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach*_ , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 162, 5 June 2016, Pages 16–26 doi: http://dx.doi.org/10.1016/j.saa.2016.02.037
J. C. Roldao, E. F. Oliveira and F. C. Lavarda, _*Electronic structure of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) derivatives for organic solar cell applications*_ , Organic Electronics, Volume 33, June 2016, Pages 246–252, doi: http://dx.doi.org/10.1016/j.orgel.2016.03.029
W. F. Porto, D. O. Nolasco, Á. S. Pires, R. W. Pereira, O. L. Franco and S. A. Alencar, _*Prediction of the Impact of Coding Missense and Nonsense Single Nucleotide Polymorphisms on HD5 and HBD1 Antibacterial Activity against Escherichia coli*_, Accepted manuscript online: 10 May 2016, doi: http://dx.doi.org/10.1002/bip.22866
V. G. Contessoto, V. M. de Oliveira, S. J. de Carvalho, L. C. Oliveira, and V. B.P. Leite, _*NTL9 Folding at Constant pH: The Importance of Electrostatic Interaction and pH-Dependence*_, J. Chem. Theory Comput., Just Accepted Manuscript, Publication Date (Web): June 21, 2016, doi: http://dx.doi.org/10.1021/acs.jctc.6b00399