Experimental and theoretical study of α–Eu2(MoO4)3 under compression

The compression process in the α-phase of europium trimolybdate was revised employing several experimental techniques. X-ray diffraction (using synchrotron and laboratory radiation sources), Raman scattering and photoluminescence experiments were performed up to a maximum pressure of 21 GPa. In addition, the crystal structure and Raman mode frequencies have been studied by means of first-principles density functional based methods. Results suggest that the compression process of α-Eu2(MoO4)3 can be described by three stages. Below 8 GPa, the α-phase suffers an isotropic contraction of the crystal structure. Between 8 and 12 GPa, the compound undergoes an anisotropic compression due to distortion and rotation of the MoO4 tetrahedra. At pressures above 12 GPa, the amorphization process starts without any previous occurrence of a crystalline-crystalline phase transition in the whole range of pressure. This behavior clearly differs from the process of compression and amorphization in trimolybdates with β′-phase and tritungstates with α-phase.We thank Diamond Light Source for access to beamline I15 (EE1746) that contributed to the results presented here. Part of the diffraction measurements were performed at the 'Servicio Integrado de Difraccion de Rayos X (SIDIX)' of University of La Laguna. This work has been supported by Ministerio de Economia y Competitividad of Spain (MINECO) for the research projects through the National Program of Materials (MAT2010-21270-C04-01/02/03/04, MAT2013-46649-C41/2/3/4-P and MAT2013-43319-P), the Consolider-Ingenio 2010 MALTA (CSD2007-00045), the project of Generalitat Valenciana (GVA-ACOMP/2014/243) and by the European Union FEDER funds. C Guzman-Afonso wishes to thank ACIISI and FSE for a fellowship. J A Sans thanks the FPI and 'Juan de la Cierva' programs for fellowships.Guzmán-Afonso, C.; León-Luis, S.; Sans-Tresserras, JÁ.; González -Silgo, C.; Rodríguez-Hernández, P.; Radescu, S.;  muñoz, A.... (2015). Experimental and theoretical study of α–Eu2(MoO4)3 under compression. Journal of Physics: Condensed Matter. 27(46):465401-1-465401-11. https://doi.org/10.1088/0953-8984/27/46/465401S465401-1465401-11274

Effect of pressure on La-2(WO4)(3) with a modulated scheelite-type structure

We have studied the effect of pressure on the structural and vibrational properties of lanthanum tritungstate La2(WO4)3. This compound crystallizes under ambient conditions in the modulated scheelite-type structure known as the α phase. We have performed x-ray diffraction and Raman scattering measurements up to a pressure of 20 GPa, as well as ab initio calculations within the framework of the density functional theory. Up to 5 GPa, the three methods provide a similar picture of the evolution under pressure of α-La2(WO4)3. At 5 GPa, we begin to observe some structural changes, and above 6 GPa we find that the x-ray patterns cannot be indexed as a single phase. However, we find that a mixture of two phases with C2/c symmetry accounts for all diffraction peaks. Our ab initio study confirms the existence of several C2/c structures, which are very close in energy in this compression range. According to our measurements, a state with medium-range order appears at pressures above 9 and 11 GPa, from x-ray diffraction and Raman experiments, respectively. Based upon our theoretical calculations we propose several high-pressure candidates with high cationic coordinations at these pressures. The compound evolves into a partially amorphous phase at pressures above 20 GPa.We acknowledge the financial support of the Spanish Ministerio de Economia y Competitividad under Grants MAT2010-21270-C04-02/03/04, CTQ2009-14596-C02-01, CSD2007-00045 and the Comunidad de Madrid and European Social Fund S2009/PPQ-1551-4161893. Access to the MALTA Cluster Computer (Universidad de Oviedo), the Atlante Super-computer (Instituto Tecnologico de Canarias, Red Espanola de Supercomputacion), and the MALTA Xcalibur Diffractometer (Universidad Complutense de Madrid) is gratefully acknowledged. C. G. A. wishes to thank the Agencia Canaria de Investigacion, Innovacion y Sociedad de la Informacion, and the European Social Fund of the Gobierno de Canarias for a fellowship. J.A.S. acknowledges financial support through the Juan de la Cierva fellowship program.Sabalisck, N.; Lopez Solano, J.; Guzmán-Afonso, C.; Santamaría Pérez, D.; González-Silgo, C.; Mújica, A.; Muñoz, A.... (2014). Effect of pressure on La-2(WO4)(3) with a modulated scheelite-type structure. Physical Review B (Condensed Matter). 89:1741121-17411211. https://doi.org/10.1103/PhysRevB.89.174112S17411211741121189Maczka, M., Souza Filho, A. G., Paraguassu, W., Freire, P. T. C., Mendes Filho, J., & Hanuza, J. (2012). Pressure-induced structural phase transitions and amorphization in selected molybdates and tungstates. Progress in Materials Science, 57(7), 1335-1381. doi:10.1016/j.pmatsci.2012.01.001Boulahya, K., Parras, M., & González-Calbet, J. M. (2005). A Structural Study of the Solid Solution Eu2(Mo1-xWx)3O12. 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Journal of Physics: Condensed Matter, 23(32), 325402. doi:10.1088/0953-8984/23/32/325402Jayaraman, A., Sharma, S. K., Wang, Z., & Wang, S. Y. (1997). Pressure-induced amorphization in the α-phase of Nd2(MoO4)3 and Tb2(MoO4)3. Solid State Communications, 101(4), 237-241. doi:10.1016/s0038-1098(96)00587-xLucazeau, G., Le Bacq, O., Pasturel, A., Bouvier, P., & Pagnier, T. (2011). High-pressure polarized Raman spectra of Gd2(MoO4)3: phase transitions and amorphization. Journal of Raman Spectroscopy, 42(3), 452-460. doi:10.1002/jrs.2731Le Bacq, O., Machon, D., Testemale, D., & Pasturel, A. (2011). Pressure-induced amorphization mechanism in Eu2(MoO4)3. Physical Review B, 83(21). doi:10.1103/physrevb.83.214101Machon, D., Dmitriev, V. P., Sinitsyn, V. V., & Lucazeau, G. (2004). Eu2(MoO4)3single crystal at high pressure: Structural phase transitions and amorphization probed by fluorescence spectroscopy. Physical Review B, 70(9). doi:10.1103/physrevb.70.094117Bandiello, E., Errandonea, D., Martinez-Garcia, D., Santamaria-Perez, D., & Manjón, F. J. (2012). Effects of high-pressure on the structural, vibrational, and electronic properties of monazite-type PbCrO4. Physical Review B, 85(2). doi:10.1103/physrevb.85.024108Kraus, W., & Nolze, G. (1996). POWDER CELL – a program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns. Journal of Applied Crystallography, 29(3), 301-303. doi:10.1107/s0021889895014920Rodríguez-Carvajal, J. (1993). Recent advances in magnetic structure determination by neutron powder diffraction. Physica B: Condensed Matter, 192(1-2), 55-69. doi:10.1016/0921-4526(93)90108-iKlotz, S., Chervin, J.-C., Munsch, P., & Le Marchand, G. (2009). Hydrostatic limits of 11 pressure transmitting media. Journal of Physics D: Applied Physics, 42(7), 075413. doi:10.1088/0022-3727/42/7/075413Kresse, G., & Hafner, J. (1993). Ab initiomolecular dynamics for liquid metals. Physical Review B, 47(1), 558-561. doi:10.1103/physrevb.47.558Kresse, G., & Furthmüller, J. (1996). Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set. Physical Review B, 54(16), 11169-11186. doi:10.1103/physrevb.54.11169Kresse, G., & Joubert, D. (1999). From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59(3), 1758-1775. doi:10.1103/physrevb.59.1758Blöchl, P. E. (1994). Projector augmented-wave method. Physical Review B, 50(24), 17953-17979. doi:10.1103/physrevb.50.17953Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., … Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100(13). doi:10.1103/physrevlett.100.136406Monkhorst, H. J., & Pack, J. D. (1976). Special points for Brillouin-zone integrations. Physical Review B, 13(12), 5188-5192. doi:10.1103/physrevb.13.5188Pickard, C. J., & Needs, R. J. (2011). Ab initiorandom structure searching. Journal of Physics: Condensed Matter, 23(5), 053201. doi:10.1088/0953-8984/23/5/053201Depero, L. E., & Sangaletti, L. (1997). Cation Sublattice and Coordination Polyhedra inABO4Type of Structures. Journal of Solid State Chemistry, 129(1), 82-91. doi:10.1006/jssc.1996.7234Brown, I. D. (2006). The Chemical Bond in Inorganic Chemistry. doi:10.1093/acprof:oso/9780199298815.001.0001Kresse, G., Furthmüller, J., & Hafner, J. (1995). Ab initioForce Constant Approach to Phonon Dispersion Relations of Diamond and Graphite. Europhysics Letters (EPL), 32(9), 729-734. doi:10.1209/0295-5075/32/9/005Alfè, D. (2009). PHON: A program to calculate phonons using the small displacement method. Computer Physics Communications, 180(12), 2622-2633. doi:10.1016/j.cpc.2009.03.010Sabalisck, N., Mestres, L., Vendrell, X., Cerdeiras, E., Santamaría, D., Lavin, V., … Guzman-Afonso, M. C. (2011). Amorphization in rare earth tungstates with modulated scheelite-type structure under pressure. Acta Crystallographica Section A Foundations of Crystallography, 67(a1), C504-C505. doi:10.1107/s0108767311087228Logvinovich, D., Arakcheeva, A., Pattison, P., Eliseeva, S., Tomeš, P., Marozau, I., & Chapuis, G. (2010). Crystal Structure and Optical and Magnetic Properties of Pr2(MoO4)3. Inorganic Chemistry, 49(4), 1587-1594. doi:10.1021/ic9019876Garg, N., Murli, C., Tyagi, A. K., & Sharma, S. M. (2005). Phase transitions inSc2(WO4)3under high pressure. Physical Review B, 72(6). doi:10.1103/physrevb.72.064106Belsky, A., Hellenbrandt, M., Karen, V. L., & Luksch, P. (2002). New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design. 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Physical Review B, 74(14). doi:10.1103/physrevb.74.144111Manjon, F. J., Errandonea, D., Garro, N., Pellicer-Porres, J., López-Solano, J., Rodríguez-Hernández, P., … Muñoz, A. (2006). Lattice dynamics study of scheelite tungstates under high pressure II.PbWO4. Physical Review B, 74(14). doi:10.1103/physrevb.74.144112Grzechnik, A., Ursaki, V. V., Syassen, K., Loa, I., Tiginyanu, I. M., & Hanfland, M. (2001). Pressure-Induced Phase Transitions in Cadmium Thiogallate CdGa2Se4. Journal of Solid State Chemistry, 160(1), 205-211. doi:10.1006/jssc.2001.9224Gomis, O., Vilaplana, R., Manjón, F. J., Pérez-González, E., López-Solano, J., Rodríguez-Hernández, P., … Ursaki, V. V. (2012). High-pressure optical and vibrational properties of CdGa2Se4: Order-disorder processes in adamantine compounds. Journal of Applied Physics, 111(1), 013518. doi:10.1063/1.3675162Gomis, O., Vilaplana, R., Manjón, F. J., Santamaría-Pérez, D., Errandonea, D., Pérez-González, E., … Ursaki, V. V. (2013). Crystal structure of HgGa2Se4 under compression. Materials Research Bulletin, 48(6), 2128-2133. doi:10.1016/j.materresbull.2013.02.037Errandonea, D., Pellicer-Porres, J., Manjón, F. J., Segura, A., Ferrer-Roca, C., Kumar, R. S., … Aquilanti, G. (2006). Determination of the high-pressure crystal structure ofBaWO4andPbWO4. Physical Review B, 73(22). doi:10.1103/physrevb.73.224103López-Solano, J., Rodríguez-Hernández, P., Radescu, S., Mujica, A., Muñoz, A., Errandonea, D., … Aquilanti, G. (2007). Crystal stability and pressure-induced phase transitions in scheelite AWO4 (A = Ca, Sr, Ba, Pb, Eu) binary oxides. I: A review of recentab initio calculations, ADXRD, XANES, and Raman studies. physica status solidi (b), 244(1), 325-330. doi:10.1002/pssb.200672559Manjón, F. J., Errandonea, D., López-Solano, J., Rodríguez-Hernández, P., Radescu, S., Mujica, A., … Aquilanti, G. (2007). Crystal stability and pressure-induced phase transitions in scheelite AWO4 (A = Ca, Sr, Ba, Pb, Eu) binary oxides. II: Towards a systematic understanding. physica status solidi (b), 244(1), 295-302. doi:10.1002/pssb.200672588López-Solano, J., Rodríguez-Hernández, P., Muñoz, A., & Manjón, F. J. (2006). Theoretical study of theYLiF4phase transitions under pressure. Physical Review B, 73(9). doi:10.1103/physrevb.73.09411

Outcomes from elective colorectal cancer surgery during the SARS-CoV-2 pandemic

This study aimed to describe the change in surgical practice and the impact of SARS-CoV-2 on mortality after surgical resection of colorectal cancer during the initial phases of the SARS-CoV-2 pandemic

Actas de las V Jornadas ScienCity 2022. Fomento de la Cultura Científica, Tecnológica y de Innovación en Ciudades Inteligentes

ScienCity es una actividad que viene siendo continuada desde 2018 con el objetivo de dar a conocer los conocimientos y tecnologías emergentes siendo investigados en las universidades, informar de experiencias, servicios e iniciativas puestas ya en marcha por instituciones y empresas, llegar hasta decisores políticos que podrían crear sinergias, incentivar la creación de ideas y posibilidades de desarrollo conjuntas, implicar y provocar la participación ciudadana, así como gestar una red internacional multidisciplinar de investigadores que garantice la continuación de futuras ediciones. En 2022 se recibieron un total de 48 trabajos repartidos en 25 ponencias y 24 pósteres pertenecientes a 98 autores de 14 instituciones distintas de España, Portugal, Polonia y Países Bajos.Fundación Española para la Ciencia y la Tecnología-Ministerio de Ciencia, Innovación y Universidades; Consejería de la Presidencia, Administración Pública e Interior de la Junta de Andalucía; Estrategia de Política de Investigación y Transferencia de la Universidad de Huelva; Cátedra de Innovación Social de Aguas de Huelva; Cátedra de la Provincia; Grupo de investigación TEP-192 de Control y Robótica; Centro de Investigación en Tecnología, Energía y Sostenibilidad (CITES

Structures and thermal stability of the [alpha]-LiNH4SO4 polytypes doped with Er3+ and Yb3+

In order to clarify the polymorphism in the lithium sulfate family, LiREx(NH4)1 - xSO4 (0.5 [less-than or equal to] x [less-than or equal to] 4.0 mol%, nominal value; RE = Er3+, Yb3+ and Dy3+) crystals were grown from aqueous solution by slow evaporation between 298 and 313 K. The doping of the samples allowed us to obtain two polymorphic forms, [alpha] and [beta], of LiNH4SO4 (LAS). By means of X-ray diffraction (XRD) in single crystals, we determined the crystal structures of two new [alpha]-polytypes, which we have named [alpha]1- and [alpha]2-LAS. They present the same space group P21/c and the following relation among their lattice parameters: a2 = -c1, b2 = -b1, c2 = -2a1 - c1. In order to evaluate the stability of the new [alpha]-polytypes, we performed thermal analysis, X-ray diffraction and dielectric spectroscopy on single crystals and polycrystalline samples over the cyclic temperature range: 190 [rightwards arrow] 575 [rightwards arrow] 190 K. The results obtained by all the techniques used in this study demonstrate that [alpha]-polytypes are stable across a wide range of temperatures and they show an irreversible phase transition to the paraelectric [beta]-phase above 500 K. In addition, a comparative study of [alpha]- and [beta]-polytypes shows that both polymorphic structures have a common axis, with a possible intergrowth that facilitates their coexistence and promotes the reconstructive [alpha] [rightwards arrow] [beta] transition. This intergrowth was related to small anomalies detected between 240 and 260 K, in crystals with an [alpha]-habit

Structures and thermal stability of the [alpha]-LiNH4SO4 polytypes doped with Er3+ and Yb3+

In order to clarify the polymorphism in the lithium sulfate family, LiREx(NH4)1 - xSO4 (0.5 [less-than or equal to] x [less-than or equal to] 4.0 mol%, nominal value; RE = Er3+, Yb3+ and Dy3+) crystals were grown from aqueous solution by slow evaporation between 298 and 313 K. The doping of the samples allowed us to obtain two polymorphic forms, [alpha] and [beta], of LiNH4SO4 (LAS). By means of X-ray diffraction (XRD) in single crystals, we determined the crystal structures of two new [alpha]-polytypes, which we have named [alpha]1- and [alpha]2-LAS. They present the same space group P21/c and the following relation among their lattice parameters: a2 = -c1, b2 = -b1, c2 = -2a1 - c1. In order to evaluate the stability of the new [alpha]-polytypes, we performed thermal analysis, X-ray diffraction and dielectric spectroscopy on single crystals and polycrystalline samples over the cyclic temperature range: 190 [rightwards arrow] 575 [rightwards arrow] 190 K. The results obtained by all the techniques used in this study demonstrate that [alpha]-polytypes are stable across a wide range of temperatures and they show an irreversible phase transition to the paraelectric [beta]-phase above 500 K. In addition, a comparative study of [alpha]- and [beta]-polytypes shows that both polymorphic structures have a common axis, with a possible intergrowth that facilitates their coexistence and promotes the reconstructive [alpha] [rightwards arrow] [beta] transition. This intergrowth was related to small anomalies detected between 240 and 260 K, in crystals with an [alpha]-habit

Immune response of bovines stimulated by synthetic vaccine SBm74621 against Rhipicephalus (Boophilus) microplus.

Ten-month-old calves Bos taurus taurus were immunized with three doses of SBm74621 with saponin as an adjuvant at 30-day intervals and were evaluated for IgG isotypes, phenotype circulating lymphocytes and changes in the lymph nodes (LN). SBm74621 stimulated the production of predominantly IgG1-isotype IgG antibodies. The lymph nodes exhibited activation at the seventh day after the first immunization, with areas of paracortical and interfollicular hyperplasia and the early formation of germinal centers (GC). Fifteen days after the first immunization, the GC exhibited compartmentalization of cellular populations, a light zone (LZ), a dark zone (DZ) and a mantle. At the same time, hyperplasia of the medullary cords was observed with cells associating with DC cells. Seven days after the first immunization, apoptosis in the DZ and in the paracortical region became evident. By day 15, there was an increase in the medullary cords, which became more numerous at days 35 and 42. PAP-positive cells were found in the paracortical region, medullary cords and GC 7 days after the first immunization. At day 35, there were further strongly PAP-positive cells in the medullary cords. By comparison, none of these changes were observed in the lymph nodes of control groups at any of the days analyzed. The number of CD21+ lymphocytes increased in the immunized groups after the first inoculation, with a maximum number observed at 15 and 10 days after the first and third immunizations, respectively. Compared to pre-immunization counts, the percentage of WC1+ gd T-lymphocytes displayed more variation, increasing 5 days after the second immunization but decreasing over the following days. According to the results, the synthetic anti Rhipicephalus microplus vaccine elicits a complete immune response being T-dependant

Effect of pressure on La2(WO4)3 with a modulated scheelite-type structure

We have studied the effect of pressure on the structural and vibrational properties of lanthanum tritungstate La2(WO4)3. This compound crystallizes under ambient conditions in the modulated scheelite-type structure known as the α phase. We have performed x-ray diffraction and Raman scattering measurements up to a pressure of 20 GPa, as well as ab initio calculations within the framework of the density functional theory. Up to 5 GPa, the three methods provide a similar picture of the evolution under pressure of α-La2(WO4)3. At 5 GPa, we begin to observe some structural changes, and above 6 GPa we find that the x-ray patterns cannot be indexed as a single phase. However, we find that a mixture of two phases with C2/c symmetry accounts for all diffraction peaks. Our ab initio study confirms the existence of several C2/c structures, which are very close in energy in this compression range. According to our measurements, a state with medium-range order appears at pressures above 9 and 11 GPa, from x-ray diffraction and Raman experiments, respectively. Based upon our theoretical calculations we propose several high-pressure candidates with high cationic coordinations at these pressures. The compound evolves into a partially amorphous phase at pressures above 20 GPa

Impact on clinical practice of the implementation of guidelines for the toxicity management of targeted therapies in kidney cancer. The protect-2 study.

Journal Article;BACKGROUND The impact of such recommendations after their implementation of guidelines has not usually been evaluated. Herein, we assessed the impact and compliance with the Spanish Oncology Genitourinary Group (SOGUG) Guidelines for toxicity management of targeted therapies in metastatic renal cell carcinoma (mRCC) in daily clinical practice. METHODS Data on 407 mRCC patients who initiated first-line targeted therapy during the year before and the year after publication and implementation of the SOGUG guideline program were available from 34 Spanish Hospitals. Adherence to SOGUG Guidelines was assessed in every cycle. RESULTS Adverse event (AE) management was consistent with the Guidelines as a whole for 28.7 % out of 966 post-implementation cycles compared with 23.1 % out of 892 pre-implementation cycles (p = 0.006). Analysis of adherence by AE in non-compliant cycles showed significant changes in appropriate management of hypertension (33 % pre-implementation vs. 44.5 % post-implementation cycles; p < 0.0001), diarrhea (74.0 % vs. 80.5 %; p = 0.011) and dyslipemia (25.0 % vs. 44.6 %; p < 0.001). CONCLUSIONS Slight but significant improvements in AE management were detected following the implementation of SOGUG recommendations. However, room for improvement in the management of AEs due to targeted agents still remains and could be the focus for further programs in this direction.This study was funded by Pfizer, S.L.U. Medical writing assistance was provided by Esther Tapia, PhD and was founded by Pfizer.Ye

O impacto da Lei de Responsabilidade Fiscal no desempenho financeiro e na execução orçamentária dos municípios no Rio Grande do Sul de 1997 a 2004

Este trabalho analisa através de indicadores os orçamentos e os dados dos balanços dos municípios do estado do Rio Grande do Sul, no período de 1997 a 2004, com objetivo de avaliar o impacto que a Lei de Responsabilidade Fiscal (LRF) teve sobre o desempenho financeiro e na execução orçamentária. Para tal avaliação, utilizou-se de um modelo de regressão, com dados em painel, e constatou-se que os resultados na expressiva maioria dos indicadores apresentaram uma melhora em seus valores após a LRF, confirmando a mudança teórica esperada