Cross-Country Income Mobility Comparisons Under Panel Attrition: The Relevance of Weighting Schemes

This paper aims to present an assessment of the effects of panel attrition on income mobility comparisons for some EU-countries by using the European Community Household Panel (ECHP). There are different possibilities of correcting the attrition problem by means of alternative longitudinal weighting schemes. The sensitivity of mobility estimates to these attrition correction procedures is tested in the paper. Our results show that ECHP attrition is characterised by a certain degree of selectivity but only affecting some variables and countries. Different probability models corroborate the existence of a certain non-random attrition. The model chosen to construct the longitudinal weights to correct attrition offers up rather different results than those obtained when Eurostat’s longitudinal weights are used. Although attrition does not seem to have a great effect on aggregated mobility indicators, it does have a decisive effect on decomposition exercises. Finally, the tests conducted on income mobility indicators reveal a certain sensitivity to the weighting system used.Income mobility, attrition, European Community Household Panel.

Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite

This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.0c01734.[EN] "Shape" was the first criterion claimed to explain the specificity between organic structure-directing agents (OSDAs) and zeolite micropores. With the advent of computational chemistry methods applied to study the effectiveness of SDA-zeolite combinations, "energy" (mainly van der Waals) became the most commonly invoked concept to explain the zeolite phase selectivity. The lower the energy, the better the SDA_ In this study, we rescue the concept of shape, and we combine it with the concept of energy within the frame of a SDA screening approach to identify new SDAs for the synthesis of cage-based ITE zeolite. Once we identify an appropriate shape fingerprint, filtering through the SDA database can be done quickly and accurately. With the shape selection, an automated Monte Carlo software allows us to assess the suitability using the force-field-calculated zeo-SDA energy. The computational approach can be promptly applied to other cage-based zeolites.We thank MICINN of Spain for funding through projects RTI2018-101784-B-I00, RTI2018-101033-B-I00, and SEV-2016-0683. S.L. thanks MICINN for the predoctoral grant BES-2017-081245 corresponding to project SEV-2016-068317-2. Prof. A. Corma is acknowledged for collaboration from the SEV-2016-0683 project. We thank ASIC-UPV for the use of their computational facilities.León-Rubio, S.; Sastre Navarro, GI. (2020). Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite. The Journal of Physical Chemistry Letters. 11(15):6164-6167. https://doi.org/10.1021/acs.jpclett.0c01734S616461671115Davis, M. E. (2013). Zeolites from a Materials Chemistry Perspective. Chemistry of Materials, 26(1), 239-245. doi:10.1021/cm401914uLi, J., Corma, A., & Yu, J. (2015). Synthesis of new zeolite structures. Chemical Society Reviews, 44(20), 7112-7127. doi:10.1039/c5cs00023hČejka, J., Millini, R., Opanasenko, M., Serrano, D. P., & Roth, W. J. (2020). Advances and challenges in zeolite synthesis and catalysis. Catalysis Today, 345, 2-13. doi:10.1016/j.cattod.2019.10.021Rimer, J. D. (2018). Rational design of zeolite catalysts. Nature Catalysis, 1(7), 488-489. doi:10.1038/s41929-018-0114-5Barrer, R. M. (1960). Stabilization of lattices by sorbed and included molecules. Journal of Physics and Chemistry of Solids, 16(1-2), 84-89. doi:10.1016/0022-3697(60)90076-7Zones, S. I. (1989). Synthesis of pentasil zeolites from sodium silicate solutions in the presence of quaternary imidazole compounds. Zeolites, 9(6), 458-467. doi:10.1016/0144-2449(89)90039-0Davis, M. E. (1993). New vistas in zeolite and molecular sieve catalysis. Accounts of Chemical Research, 26(3), 111-115. doi:10.1021/ar00027a006Gies, H., & Marker, B. (1992). The structure-controlling role of organic templates for the synthesis of porosils in the systems SiO2/template/H2O. Zeolites, 12(1), 42-49. doi:10.1016/0144-2449(92)90008-dBoyett, R. E., Stevens, A. P., Ford, M. G., & Cox, P. A. (1996). A quantitative shape analysis of organic templates employed in zeolite synthesis. Zeolites, 17(5-6), 508-512. doi:10.1016/s0144-2449(96)00073-5Bell, R. G., Lewis, D. W., Voigt, P., Freeman, C. M., Thomas, J. M., & Catlow, C. R. A. (1994). Computer Modelling of Sorbates and Templates in Microporous Materials. Zeolites and Related Microporous Materials: State of the Art 1994 - Proceedings of the 10th International Zeolite Conference, Garmisch-Partenkirchen, Germany, 17-22 July 1994, 2075-2082. doi:10.1016/s0167-2991(08)63768-4Cox, P. A., Casci, J. L., & Stevens, A. P. (1997). Molecular modelling of templated zeolite synthesis. Faraday Discussions, 106, 473-487. doi:10.1039/a701487bWagner, P., Nakagawa, Y., Lee, G. S., Davis, M. E., Elomari, S., Medrud, R. C., & Zones, S. I. (2000). Guest/Host Relationships in the Synthesis of the Novel Cage-Based Zeolites SSZ-35, SSZ-36, and SSZ-39. Journal of the American Chemical Society, 122(2), 263-273. doi:10.1021/ja990722uShi, C., Li, L., Yang, L., & Li, Y. (2020). Molecular simulations of host-guest interactions between zeolite framework STW and its organic structure-directing agents. Chinese Chemical Letters, 31(7), 1951-1955. doi:10.1016/j.cclet.2020.01.016Burton, A. W., Lee, G. S., & Zones, S. I. (2006). Phase selectivity in the syntheses of cage-based zeolite structures: An investigation of thermodynamic interactions between zeolite hosts and structure directing agents by molecular modeling. Microporous and Mesoporous Materials, 90(1-3), 129-144. doi:10.1016/j.micromeso.2005.11.022Gálvez-Llompart, M., Cantín, A., Rey, F., & Sastre, G. (2018). Computational screening of structure directing agents for the synthesis of zeolites. A simplified model. Zeitschrift für Kristallographie - Crystalline Materials, 234(7-8), 451-460. doi:10.1515/zkri-2018-2132Gálvez-Llompart, M., Gálvez, J., Rey, F., & Sastre, G. (2020). Identification of New Templates for the Synthesis of BEA, BEC, and ISV Zeolites Using Molecular Topology and Monte Carlo Techniques. Journal of Chemical Information and Modeling, 60(6), 2819-2829. doi:10.1021/acs.jcim.0c00231Schmidt, J. E., Deem, M. W., & Davis, M. E. (2014). Synthesis of a Specified, Silica Molecular Sieve by Using Computationally Predicted Organic Structure-Directing Agents. Angewandte Chemie International Edition, 53(32), 8372-8374. doi:10.1002/anie.201404076Daeyaert, F., & Deem, M. W. (2019). Design of organic structure directing agents for polymorph A zeolite beta. Journal of Materials Chemistry A, 7(16), 9854-9866. doi:10.1039/c8ta11913aDaeyaert, F., Ye, F., & Deem, M. W. (2019). Machine-learning approach to the design of OSDAs for zeolite beta. Proceedings of the National Academy of Sciences, 116(9), 3413-3418. doi:10.1073/pnas.1818763116Camblor, M. A., Corma, A., Lightfoot, P., Villaescusa, L. A., & Wright, P. A. (1997). Synthesis and Structure of ITQ-3, the First Pure Silica Polymorph with a Two-Dimensional System of Straight Eight-Ring Channels. Angewandte Chemie International Edition in English, 36(23), 2659-2661. doi:10.1002/anie.199726591Olson, D. H., Camblor, M. A., Villaescusa, L. A., & Kuehl, G. H. (2004). Light hydrocarbon sorption properties of pure silica Si-CHA and ITQ-3 and high silica ZSM-58. Microporous and Mesoporous Materials, 67(1), 27-33. doi:10.1016/j.micromeso.2003.09.025SciFinder; CAS: Columbus, OH, 2020. https://www.cas.org/products/scifinder. (Accessed July 15th, 2020)Foster, M. D., Rivin, I., Treacy, M. M. J., & Delgado Friedrichs, O. (2006). A geometric solution to the largest-free-sphere problem in zeolite frameworks. Microporous and Mesoporous Materials, 90(1-3), 32-38. doi:10.1016/j.micromeso.2005.08.02

Estrategias en la regulación emocional en la comorbilidad entre el trastorno límite de la personalidad y los trastornos alimentarios

Introducción: La regulación emocional puede definirse como un proceso dirigido a influenciar la intensidad, duración y tipo de emociones experimentadas. Las dificultades en regulación emocional suponen una dimensión psicopatológica que aparece en distintos trastornos, siendo el trastorno límite de la personalidad (TLP ) uno de los paradigmas de la desregulación emocional persistente. Las conductas límite (autolesiones, consumo de sustancias, conductas alimentarias patológicas, etc.) se pueden conceptualizar como intentos desadaptativos de regular el afecto intenso. Estas conductas límite llegan a convertirse en trastornos en sí mismos, como es el caso de los trastornos alimentarios. Las características de la anorexia nerviosa (AN) hacen pensar en estrategias relacionadas con la evitación y supresión emocional, y las características de la bulimia nerviosa (BN) hacen pensar en estrategias más relacionadas con la falta de control y la impulsividad. Desde el modelo de regulación emocional de Gross (1998) se proponen dos estrategias de regulación emocional, la reevaluación y la supresión. Desde esta perspectiva, hipotetizamos que las personas con comorbilidad TLP y AN utilizarán con más frecuencia la estrategia de la supresión que las pacientes con TLP y BN. Método: 42 mujeres diagnosticadas de TLP (18 con AN y 24 con BN) rellenaron el cuestionario de regulación emocional (ERG, Gross y John, 2003). Se llevaron a cabo pruebas t para determinar las diferencias en reevaluación y supresión entre TLP +AN y TLP +BN. Resultados: No se encontraron diferencias estadísticamente significativas entre TLP +AN y TLP +BN en la escala de reevaluación. Sin embargo, las pacientes TLP +AN presentaban una puntuación significativamente mayor que las pacientes con TLP +BN en supresión. Conclusiones: Estos resultados podrían indicar que las conductas anoréxicas en el marco del TLP responden a estrategias de regulación emocional relacionadas con la supresión. Este hallazgo podría ayudar a diseñar estrategias terapéuticas más personalizadas que se dirigieran al tratamiento de la supresión emocional.Introduction: Emotion regulation may be defined as a process directed to influence the intensity, duration and type of emotion experienced. Emotion dysregulation is a psychopathological dimension common to several disorders, being borderline personality disorder (BPD) the paradigm of pervasive emotion dysregulation. Borderline behaviors (self-harm, substance abuse, pathologic eating behaviors, etc.) can be conceptualized as maladaptive attempts of regulating intense emotions. These borderline behaviors become disorders like eating disorders. The features of anorexia nervosa (AN) seem more related to emotion avoidance and suppression, and the features of bulimia nervosa (BN) seem more related to lack of control and impulsivity. From the emotion regulation model developed by Gross (1998), two emotion regulation strategies are proposed: reappraisal and suppression. From this perspective our hypothesis is that individuals with BPD+AN comorbidity will use more the suppression strategy than individuals with BPD+BN comorbidity. Method: Forty two women with a BPD disgnosis (18 with AN and 24 with BN) filled out the Emotion Regulation Questionnaire (ERG, Gross y John, 2003). Student t test were carried out in order to determine differences in emotion regulation strategies between BPD+AN and BPD+BN. Results: There were no significant differences between BPD+AN and BPD+BN in reappraisal. However, BPD+AN patients scored significantly higher in suppression tan BPD+BN. Conclusions: These results could indicate that an behaviors in the context of BPD could be maladaptive emotion regulation strategies related to emotion suppression. This finding could help to design more personalized therapeutic strategies addressed to the treatment of emotion suppression

Prevalence of severe atopic dermatitis in adults in 3 areas of Spain

The study was sponsored by Sanof

Zeolite structure determination using genetic algorithms and geometry optimisation

[EN] The recently presented software zeoGAsolver is discussed, which is based on genetic algorithms, with domain-dependent crossover and selection operators that maintain the size of the population in successive iterations while improving the average fitness. Using the density, cell parameters, and symmetry (or candidate symmetries) of a zeolite sample whose resolution can not be achieved by analysis of the XRD (X-ray diffraction) data, the software attempts to locate the coordinates of the T-atoms of the zeolite unit cell employing a function of fitness' (F), which is defined through the different contributions to the penalties' (P) as F = 1/(1 + P). While testing the software to find known zeolites such as LTA (zeolite A), AEI (SSZ-39), ITW (ITQ-12) and others, the algorithm has found not only most of the target zeolites but also seven new hypothetical zeolites whose feasibility is confirmed by energetic and structural criteria.G. S. thanks the Spanish government for the provision of the Severo Ochoa (SEV 2016-0683), CTQ2015-70126-R and MAT2015-71842-P projects.Liu, X.; Valero Cubas, S.; Argente, E.; Sastre Navarro, GI. (2018). Zeolite structure determination using genetic algorithms and geometry optimisation. Faraday Discussions. 211:103-115. https://doi.org/10.1039/C8FD00035BS103115211Liu, X., Valero, S., Argente, E., Botti, V., & Sastre, G. (2015). The importance of T⋯T⋯T angles in the feasibility of zeolites. Zeitschrift für Kristallographie - Crystalline Materials, 230(5). doi:10.1515/zkri-2014-1801C. Baerlocher , L. B.McCusker and D. H.Olson , Atlas of Zeolite Framework Types , Elsevier , 6 th revised edn, 2007 , (176 structures); the web version [ www.iza-structure.org ] currently contains 232 structuresDelgado Friedrichs, O., & Huson, D. H. (1999). Tiling Space by Platonic Solids, I. Discrete & Computational Geometry, 21(2), 299-315. doi:10.1007/pl00009423Friedrichs, O. D., Dress, A. W. M., Huson, D. H., Klinowski, J., & Mackay, A. L. (1999). Systematic enumeration of crystalline networks. Nature, 400(6745), 644-647. doi:10.1038/23210Treacy, M. M. J., Rivin, I., Balkovsky, E., Randall, K. H., & Foster, M. D. (2004). Enumeration of periodic tetrahedral frameworks. II. Polynodal graphs. Microporous and Mesoporous Materials, 74(1-3), 121-132. doi:10.1016/j.micromeso.2004.06.013M. D. Foster and M. M. J.Treacy , Database of Hypothetical Zeolite Structures , http://www.hypotheticalzeolites.net/NEWDATABASE/SILVER_UNIQ/query.phpEarl, D. J., & Deem, M. W. (2006). Toward a Database of Hypothetical Zeolite Structures. Industrial & Engineering Chemistry Research, 45(16), 5449-5454. doi:10.1021/ie0510728Román-Román, E. I., & Zicovich-Wilson, C. M. (2015). The role of long-range van der Waals forces in the relative stability of SiO 2 -zeolites. Chemical Physics Letters, 619, 109-114. doi:10.1016/j.cplett.2014.11.044M. O’Keeffe and B. G.Hyde , The role of nonbonded forces in crystals , Structure and Bonding in Crystals , Academic Press , New York , 1981 , vol. 1 , ch. 10, pp. 227–254Bnmner, G. O., & Meier, W. M. (1989). Framework density distribution of zeolite-type tetrahedral nets. Nature, 337(6203), 146-147. doi:10.1038/337146a0Zwijnenburg, M. A., & Bell, R. G. (2008). Absence of Limitations on the Framework Density and Pore Size of High-Silica Zeolites. Chemistry of Materials, 20(9), 3008-3014. doi:10.1021/cm702175qLi, Y., Yu, J., & Xu, R. (2013). Criteria for Zeolite Frameworks Realizable for Target Synthesis. Angewandte Chemie International Edition, 52(6), 1673-1677. doi:10.1002/anie.201206340Majda, D., Paz, F. A. A., Friedrichs, O. D., Foster, M. D., Simperler, A., Bell, R. G., & Klinowski, J. (2008). Hypothetical Zeolitic Frameworks:  In Search of Potential Heterogeneous Catalysts. The Journal of Physical Chemistry C, 112(4), 1040-1047. doi:10.1021/jp0760354Deem, M. W., & Newsam, J. M. (1992). Framework crystal structure solution by simulated annealing: test application to known zeolite structures. Journal of the American Chemical Society, 114(18), 7189-7198. doi:10.1021/ja00044a035Pagola, S., & Stephens, P. W. (2010). PSSP, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data. Journal of Applied Crystallography, 43(2), 370-376. doi:10.1107/s0021889810005509Falcioni, M., & Deem, M. W. (1999). A biased Monte Carlo scheme for zeolite structure solution. The Journal of Chemical Physics, 110(3), 1754-1766. doi:10.1063/1.477812Li, Y., Yu, J., & Xu, R. (2012). FraGen: a computer program for real-space structure solution of extended inorganic frameworks. Journal of Applied Crystallography, 45(4), 855-861. doi:10.1107/s002188981201878xKariuki, B. M., Serrano-González, H., Johnston, R. L., & Harris, K. D. M. (1997). The application of a genetic algorithm for solving crystal structures from powder diffraction data. Chemical Physics Letters, 280(3-4), 189-195. doi:10.1016/s0009-2614(97)01156-1Woodley, S. M., Battle, P. D., Gale, J. D., & Richard A. Catlow, C. (1999). The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation. Physical Chemistry Chemical Physics, 1(10), 2535-2542. doi:10.1039/a901227cTremayne, M., Seaton, C. C., & Glidewell, C. (2002). Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique. Acta Crystallographica Section B Structural Science, 58(5), 823-834. doi:10.1107/s0108768102011928Le Bail, A. (2005). Inorganic structure prediction withGRINSP. Journal of Applied Crystallography, 38(2), 389-395. doi:10.1107/s0021889805002384Woodley, S. M., Catlow, C. R. A., Battle, P. D., & Gale, J. D. (2004). The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach. Chemical Communications, (1), 22. doi:10.1039/b312526bMellot Draznieks, C., Newsam, J. M., Gorman, A. M., Freeman, C. M., & Férey, G. (2000). De Novo Prediction of Inorganic Structures Developed through Automated Assembly of Secondary Building Units (AASBU Method). Angewandte Chemie International Edition, 39(13), 2270-2275. doi:10.1002/1521-3773(20000703)39:133.0.co;2-aMellot-Draznieks, C., Girard, S., Férey, G., Schön, J. C., Cancarevic, Z., & Jansen, M. (2002). Computational Design and Prediction of Interesting Not-Yet-Synthesized Structures of Inorganic Materials by Using Building Unit Concepts. Chemistry - A European Journal, 8(18), 4102-4113. doi:10.1002/1521-3765(20020916)8:183.0.co;2-3Mellot-Draznieks, C., Girard, S., & Férey, G. (2002). Novel Inorganic Frameworks Constructed from Double-Four-Ring (D4R) Units:  Computational Design, Structures, and Lattice Energies of Silicate, Aluminophosphate, and Gallophosphate Candidates. Journal of the American Chemical Society, 124(51), 15326-15335. doi:10.1021/ja020999lAbdelkafi, O., Idoumghar, L., Lepagnot, J., Paillaud, J.-L., Deroche, I., Baumes, L., & Collet, P. (2017). Using a novel parallel genetic hybrid algorithm to generate and determine new zeolite frameworks. Computers & Chemical Engineering, 98, 50-60. doi:10.1016/j.compchemeng.2016.11.036Baumes, L. A., Kruger, F., Jimenez, S., Collet, P., & Corma, A. (2011). Boosting theoretical zeolitic framework generation for the determination of new materials structures using GPU programming. Physical Chemistry Chemical Physics, 13(10), 4674. doi:10.1039/c0cp02833aX. Liu , S.Valero , E.Argente and G.Sastre ; Determining zeolite structures with a domain-dependent genetic algorithm ; Iberian Conference on Information Systems and Technologies, CISTI , 2017 , 10.23919/CISTI.2017.7976059Liu, X., Argente, E., Valero, S., & Sastre, G. (2017). Applying Genetic Algorithms in Chemical Engineering for Determining Zeolite Structures. Advances in Intelligent Systems and Computing, 34-43. doi:10.1007/978-3-319-67180-2_4Sastre, G., & Gale, J. D. (2001). ZeoTsites: a code for topological and crystallographic tetrahedral sites analysis in zeolites and zeotypes. Microporous and Mesoporous Materials, 43(1), 27-40. doi:10.1016/s1387-1811(00)00344-9Villamena, F. A. (2009). Superoxide Radical Anion Adduct of 5,5-Dimethyl-1-pyrrolineN-Oxide. 5. Thermodynamics and Kinetics of Unimolecular Decomposition. The Journal of Physical Chemistry A, 113(22), 6398-6403. doi:10.1021/jp902269tBermúdez, D., & Sastre, G. (2017). Calculation of pore diameters in zeolites. Theoretical Chemistry Accounts, 136(10). doi:10.1007/s00214-017-2143-6Bushuev, Y. G., & Sastre, G. (2010). Feasibility of Pure Silica Zeolites. The Journal of Physical Chemistry C, 114(45), 19157-19168. doi:10.1021/jp107296eSastre, G. (2014). Computational study of diffusion of propane in small pore acidic zeotypes AFX and AEI. Catalysis Today, 226, 25-36. doi:10.1016/j.cattod.2013.07.021Ghysels, A., Moors, S. L. C., Hemelsoet, K., De Wispelaere, K., Waroquier, M., Sastre, G., & Van Speybroeck, V. (2015). Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites. The Journal of Physical Chemistry C, 119(41), 23721-23734. doi:10.1021/acs.jpcc.5b06010Sanders, M. J., Leslie, M., & Catlow, C. R. A. (1984). Interatomic potentials for SiO2. Journal of the Chemical Society, Chemical Communications, (19), 1271. doi:10.1039/c39840001271Sastre, G., & Corma, A. (2006). Rings and Strain in Pure Silica Zeolites. The Journal of Physical Chemistry B, 110(36), 17949-17959. doi:10.1021/jp060505xVessal, B., Leslie, M., & Catlow, C. R. A. (1989). Molecular Dynamics Simulation of Silica Glass. Molecular Simulation, 3(1-3), 123-136. doi:10.1080/08927028908034623O’Keeffe, M., & Hyde, B. G. (1978). On Si—O—Si configurations in silicates. Acta Crystallographica Section B, 34(1), 27-32. doi:10.1107/s0567740878014557Wragg, D. S., Morris, R. E., & Burton, A. W. (2008). Pure Silica Zeolite-type Frameworks: A Structural Analysis. Chemistry of Materials, 20(4), 1561-1570. doi:10.1021/cm071824jJ.-R. Hill , C. M.Freeman and L.Subramanian , Use of force fields in materials modeling , Rev. Comput. Chem. , ed. K. B. Lipkowitz and D. B. Boyd , Wiley-VCH , New York , 2000 , vol. 16 , pp. 141–216Combariza, A. F., Gomez, D. A., & Sastre, G. (2013). Simulating the properties of small pore silicazeolites using interatomic potentials. Chem. Soc. Rev., 42(1), 114-127. doi:10.1039/c2cs35243eKnott, B. C., Nimlos, C. T., Robichaud, D. J., Nimlos, M. R., Kim, S., & Gounder, R. (2017). Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research. ACS Catalysis, 8(2), 770-784. doi:10.1021/acscatal.7b03676Gale, J. D. (1997). GULP: A computer program for the symmetry-adapted simulation of solids. Journal of the Chemical Society, Faraday Transactions, 93(4), 629-637. doi:10.1039/a606455hGale, J. D., & Rohl, A. L. (2003). The General Utility Lattice Program (GULP). Molecular Simulation, 29(5), 291-341. doi:10.1080/0892702031000104887Togo, A., & Tanaka, I. (2015). First principles phonon calculations in materials science. Scripta Materialia, 108, 1-5. doi:10.1016/j.scriptamat.2015.07.02

The limnological characteristics and zooplankton community of a newly created site : the Pareja Limno-reservoir

The creation of dams in the riverine zone of large reservoirs is an innovative action whose primary goal is to create water bodies that ensure a stable level of water there. We have termed these bodies of water "limno-reservoirs" because their water level becomes constant and independent of the fluctuations occurring in the main reservoir. In addition, limno-reservoirs represent environmental initiatives with corrective and/or compensatory effects. Pareja Limno-reservoir, located near the left side of Entrepeñas Reservoir (Guadalajara province, central Spain), is one of the first initiatives of this type. We are investigating the hydrology, limnology, microbiology, siltation risk and other aspects of this site. This paper focuses on the limnological study of the Pareja Limno-reservoir. To conduct this research, twelve seasonal sample collections at two sampling points (the dam and inflow zones) have been made in Pareja Limno-reservoir (spring 2008-winter 2011). The primary goal of this study is to describe the limnological characteristics of the limno-reservoir, with especial interest in the study of the zooplankton community. The results of the study show that the Pareja Limno-reservoir follows a warm monomictic water stratification pattern. The highest nutrient concentrations were found in the winter, whereas the highest chlorophyll a and phytoplankton biomass values (dominated by Bacillariophyta) were found in the summer and autumn. The results obtained suggest that the Pareja Limnoreservoir is oligo-mesotrophic. The total zooplankton species richness was high, especially in the inflow zone. The most frequently found species are in agreement with those described in other studies performed on the Iberian Peninsula. Rotifers and copepods showed higher relative abundances than cladocerans.Los denominados diques de cola constituyen una actuación novedosa cuyo objetivo es generar una lámina de agua constante en sectores de cola de grandes embalses. Para dichas masas de agua hemos propuesto el término "limnoembalses", pues con ellos se genera permanencia en el nivel del agua frente a las variaciones inherentes a la gestión del embalse ordinario, suponiendo además una actuación ambiental de car'acter compensatorio y/o corrector. El Limnoembalse de Pareja, ubicado en la margen izquierda del embalse de Entrepeñas (provincia de Guadalajara, España central), es una de las primeras actuaciones de este cariz. Por ello, nuestro equipo está realizando estudios relacionados con el comportamiento hidrológico, limnológico, microbiológico y su riesgo de aterramiento, entre otros aspectos. Este artículo se centra en el estudio limnológico del Limnoembalse de Pareja. Para llevar a cabo dicha investigación, se han realizado en dos puntos de muestreo (presa y cola) doce muestreos estacionales (primavera 2008-invierno 2011). El principal objetivo del estudio es describir las características limnológicas del limnoembalse, poniendo además especial interés en el estudio de la comunidad zooplanctónica. Los resultados obtenidos muestran que el Limnoembalse de Pareja sigue una dinámica de lago monomíctico templado. Las concentraciones más elevadas de nutrientes se encontraron en invierno, sin embargo, los mayores valores de clorofila a y biomasa de fitoplancton (dominada por Bacillariophyta) fueron obtenidos en verano y oto˜no. Los resultados sugieren un estado oligo-mesotrófico de las aguas del limnoembalse. La riqueza total de especies de zooplancton fue elevada, especialmente en la zona de cola. Las especies más frecuentemente encontradas coinciden con aquellas descritas en otros lagos y embalses de la Península Ibérica. Los rotíferos y los copépodos mostraron abundancias relativas mayores que los cladóceros

Statistical analysis of soy cultivation in Argentina

Argentina are analyzed. The main objective is to obtain information that will be useful for the analysis of the environmental consequences of the progress of this crop in the country. This has been made by a descriptive statistical analysis and a factor analysis was used to identify factors which characterize the soybean crop and also a classification or clustering between provinces with similar characteristics. The information parameters studied were: the tendency and dispersion measures for soybean yield of 15 provinces in which it was grown between the 2001/02 and 2010/11 or from 2001/02 to 2010/11; the correlations between area harvested acreage, seeded area, production and performance, and the factors that bind some variables that characterize the soybean crop that allows a grouping between provinces with similar characteristics. Analyses were performed by using data obtained from: 1) MinAgri (last 10 seasons) b) 2001 National Census c) CNA 2002. From a group of variables: region extension (ha); population density 2001; population of the region in 2001; NBI 2001, literate people older than 10 years 2001; illiterate people older than 10 years 2001; permanent workers in the farming sector 2002; seeded area (ha) 2002; cultivated area of oily plants (ha) 2002; tractors 2002; harvesters 2002; seeded area (ha) 2001/02; harvested area (ha) 2001/02; production (Tn) 2001/02.Fil: Miranda del Fresno, Ma. Carolina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Centro de Investigaciones y Estudios Ambientales; ArgentinaFil: Villacampa, Y.. Universidad de Alicante. Departamento de Qui­mica Orgánica; EspañaFil: Navarro Gonzalez, F. J.. Universidad de Alicante. Departamento de Qui­mica Orgánica; EspañaFil: Sastre Vazquez, P.. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Agronomia; Argentin

Identificación de variantes genéticas asociadas a la sensibilidad solar

Introducción: La sensibilidad a la radiación ultravioleta está determinada por característicaspigmentarias influenciadas por varios genes. Ciertos rasgos de la pigmentación,como tener un color de piel claro, tener muchas efélides y/o nevus y una dificultadde bronceado, son indicadores de una mayor susceptibilidad a esta radiación solary, por tanto, al cáncer de piel. Sin embargo, poco se conoce sobre los determinantesgenéticos asociados a la sensibilidad solar, a excepción del gen MC1R. Este estudioanaliza las bases genéticas de la sensibilidad solar y la predisposición al cáncer cutáneoen una población española. Metodología: En el estudio participaron 300 voluntarios.Mediante un cuestionario estandarizado, se recogieron características fenotípicasde pigmentación, historia de quemaduras solares y hábitos de exposición solar. Paracada individuo, se determinó el genotipo de genes involucrados en la ruta de la pigmentaciónhumana – MC1R, ASIP, TYR, OCA2, HERC2, SLC24A4, BNC2, IRF4,KITLG, y SLC45A2. El análisis de asociación entre las características fenotípicas y elgenotipo se realizó con una regresión logística, utilizando el programa SPSS v24. Resultados:El mayor determinante genético de los rasgos de pigmentación y sensibilidadsolar es el gen MC1R. Polimorfismos en IRF4, ASP y SLC45A2 también pareceninfluir en la pigmentación cutánea basal, así como en la aparición de lesiones hiperpigmentadasbenignas. Conclusión: Los individuos con fenotipo de riesgo tienensignificativamente mayor número de polimorfismos asociados con una peor toleranciaal sol. Individuos portadores de estos polimorfismos tendrían una mayor sensibilidad ala radiación solar y, por tanto, a padecer cáncer cutáneo.Introduction: Sensitivity to ultraviolet radiation is determined by pigmentation traits, which are influenced by several genes. Particular pigmentation characteristics, such as having fair skin, having ephelides and/or naevi, and the inability to tan, are associated with a high sensitivity to sunlight and, therefore, a predisposition to skin cancer. However, little is known about the genetic determinants associated with sunlight sensitivity, apart from MC1R gene. This study analyses the genetic basisof sunlight sensitivity and skin cancer susceptibility in a Spanish population. Methodology: Three-hundred volunteers participated in the study. Phenotypic characteristics of pigmentation, history of sunburn and sun exposure behaviour were collectedby using a standardized questionnaire. For each participant, we examined the genotype of the following genes involved in the human pigmentation pathway: MC1R, ASIP, TYR, OCA2, HERC2, SLC24A4, BNC2, IRF4, KITLG,and SLC45A2. To determine the association with phenotypic characteristics, a logistic regression was performed for each polymorfism. Statistical analysis were perfomed by using SPSS v24 software. Results: The major genetic determinant of pigmentation and sunlight sensitivity traits is the MC1R gene. Polymorphisms in IRF4, ASIP and SLC45A4 also seems to impacton basal skin pigmentation, as well as on the appearance of benign hyperpigmented lesions. Conclusion: Individuals having a risk phenotype carry significantly a higher number of genetic variants associated with reduced tolerance to sun exposure. Individuals carrying these polymorphisms would have a higher sensitivity to UV radiation and, therefore, an increased susceptibility todevelop skin cancer

Separation of an aqueous mixture of 6-kestose/sucrose with zeolites: A molecular dynamics simulation

[EN] Extra-large pore zeolites are a small subset (21) among the whole list of 253 zeolites available. The discovery of new low-glycemic sugars is very attractive as new healthy additives in the food field. This is the case of the 6-kestose. In the present case, it appears in a mixture in aqueous solution together with sucrose, the separation of the mixture being necessary. For this, we have focused on using certain zeolites with adequate pore sizes that allow the separation of this mixture, considering that since the molecular size of 6-kestose is greater than sucrose, it is necessary to promote the sorption of the latter, so that the first can be purified. After a computational screening of micropores of the 253 IZA zeolites, 11 zeolites were selected. Of these, 3 extra-large pore zeolites (AET, DON, ETR) have been proposed, which were analyzed in-depth through a molecular dynamics study considering the external surface. The results show that DON presents the most promising theoretical results for a selective sucrose/6-kestose separation.We thank MICINN of Spain for funding through projects RTI2018101784-B-I00, RTI2018-101033-B-I00, SEV-2016-0683 as well as ASICUPV and CESGA for computational facilities. IBL and PGI gratefully acknowledge CSIC for a JAE-Intro fellowship. AM thanks Generalitat Valenciana for the predoctoral fellowship GRISOLIAP/2019/084.Bolaño Losada, I.; Grobas-Illobre, P.; Misturini, A.; Polaina, J.; Seminóvski, Y.; Sastre Navarro, GI. (2021). Separation of an aqueous mixture of 6-kestose/sucrose with zeolites: A molecular dynamics simulation. Microporous and Mesoporous Materials. 319:1-10. https://doi.org/10.1016/j.micromeso.2021.111031S11031

Isotopic H/D exchange on graphenes. A combined experimental and theoretical study

[EN] Adsorption of H-2/D-2 on graphene (G), graphene oxide (GO), single walled carbon nanotube (SWCNT), N-doped graphene [(N)G], and a sample of active carbon (C) has led to the detection of HD, indicating dissociative chemisorption of hydrogen on the surface of the material. The amount of HD detected follows the order G > SWCNT > GO similar to (N)G similar to C, G giving about five-fold higher H-2/D-2 adsorption and HD exchange level than SWCNT and about ten-fold larger values than that of the other samples. Quantum-chemistry calculations modeling a carbon atom vacancy on a G cluster estimates an activation barrier for H-2 dissociation of ca. 84 kJ/mol for a mechanism involving under coordinated carbon atoms at the defect site.Financial support by the Spanish Ministry of Economy and Competitiveness (Severo Ochoa SEV-2016-0267 and CTQ2015-69153-C2-R1) and Generalitat Valenciana (Prometeo 2013/014) is gratefully acknowledged. G. S. thanks the Scientific Division of SGAI CSIC for computing facilities.Sastre Navarro, GI.; Forneli Rubio, MA.; Almasan, V.; Parvulescu, VI.; García Gómez, H. (2017). Isotopic H/D exchange on graphenes. A combined experimental and theoretical study. Applied Catalysis A General. 547:52-59. https://doi.org/10.1016/j.apcata.2017.08.018S525954