Estimation of comprehensive two-dimensional gas chromatographic response from one-dimensional gas chromatography data

Trabajo presentado a la XV Reunión Científica de la Sociedad Española de Cromatografía y Técnicas Afines (SECyTA) celebrada en Castellón de la Plana del 28 al 30 de octubre de 2015Optimization of a separation in comprehensive two-dimensional gas chromatography (GC×GC) requires the selection of an appropriate set column, and the optimisation of their respective dimensions, temperature programs and flow rates. Until not so long ago, a time consuming trial and error process was the only way to select the columns and chromatographic conditions for the two GC dimensions. During the last few years, several attempts have been proposed to estimate the chromatographic response in GC×GC [1-4]. Although most of these methods are helpful contributions, some of them focussed exclusively on the retention time estimation and do not consider the effect of peak width, also essential for a correct prediction of the chromatographic separation capability. Others are based on theoretical formulas not applicable to the extreme experimental conditions used in GC×GC, or are only valid for specific types of compounds or stationary phases: these models cannot be corrected for different separation problems. In this work, modelization of retention time and peak width has been carried out from experimental 1D GC data in order to estimate the response in GC×GC separation for different column sets operated under different flows and temperatures. Several theoretical and experimental models are proposed for estimation of 1D and 2D retention time and peak width; in experimental models, 1D GC data are required together with information on column characteristics and operation conditions. Models for hold-up time, retention factor and peak width were first validated in 1D GC from the fit between experimental and calculated data. Their validation in GC×GC was carried out by using n-alkanes and a mixture of disaccharides as their trimethylsilyl oxime derivatives. Comparison of experimental and estimated data showed good results for retention time in both first and second dimension. Peak widths presented, however, some errors, caused by the no consideration on estimation of the effect of the modulator or the rather unusual chromatographic conditions used. The developed programme is very versatile as it can be used for the calculation of the chromatographic response of compounds with different polarity and volatility, analysed under different pressures and temperature ramps, and with different sets of columns. [1] J.V. Seeley, E.M. Libby, K.A.H. Edwards, S.K. Seeley, J. Chromatogr. A 1216 (2009) 1650. [2] F.L. Dorman, P.D. Schettler, L.A. Vogt, J.W. Cochran, J. Chromatogr. A 1186 (2008) 196. [3] Y. Zhao, J. Zhang, B. Wang, S.H. Kim, A. Fang, B. Bogdanov, Z. Zhou, C. McClain, X. Zhang, J. Chromatogr. A 1218 (2011) 2577. [4] S. Zhu, S. He, D.R. Worton, A.H. Goldstein, J. Chromatogr. A 1233 (2012) 147. Acknowledgements: This work has been funded by Ministerio de Economía y Competitividad (project CTQ2012-32957), Comunidad Autónoma de Madrid (Spain) and European funding from FEDER program (AVANSECAL-CM S2013/ABI-3028) and Fundación Ramón Areces. ACS thanks Ministerio de Economía y Competitividad of Spain for a Ramón y Cajal contract.CTQ2012-32957Peer reviewe

High resolution system for nanoparticles hyperthermia efficiency evaluation

A system to evaluate nanoparticles efficiency in hyperthermia applications is presented. The method allows a direct measurement of the power dissipated by the nanoparticles through the determination of the first harmonic component of the in quadrature magnetic moment induced by the applied field. The magnetic moment is measured by using an induction method. To avoid errors and reduce the noise signal a double in phase demodulation technique is used. To test the system viability we have measured nanowires, nanoparticles and copper samples of different volumes to prove by comparing experimental and modeled result

How sensitive is city size distribution to the definition of city? The case of Spain

In this paper we want to test whether the choice of different types of urban data for the same country exerts an influence or not on the selection of the best parametric density function (among the Pareto, truncated lognormal, the double Pareto lognormal and mixtures of lognormals) to describe the city size distribution. We have employed four different definitions of city for Spain. We have concluded that the outperforming density is different for each type of data

Use of room temperature ionic liquids for the selective fractionation of bioactive ketoses from aldoses

This work deals with the effective fractionation of bioactive ketoses, i.e. lactulose and tagatose, from their corresponding aldoses, lactose and galactose, in equimolar binary mixtures driven by room temperature ionic liquids, i.e. 1-ethyl-3-methylimidazolium dicyanamide ([EMIM][DCA]) and 1-butyl-3-methylimidazolium methyl sulfate ([BMIM][MeSO4]), respectively. Under assayed conditions, tagatose was found to be 6-fold more soluble on [BMIM][MeSO4] than galactose; meanwhile lactulose was 3 times more soluble than lactose on [EMIM][DCA]. As an application example in a more complex sample, a lactose isomerization mixture containing in addition lactulose and monosaccharides was enriched in this ketose by using [EMIM][DCA]. Carbohydrates were then successfully recovered from the ionic liquid following an activated charcoal-based treatment. Overall, lactulose content was enriched from a 24% in the initial isomerization reaction mixture to a 62% in the purified sample. These experimental results demonstrated the potential of ionic liquids as green alternative solvents for the selective fractionation of bioactive ketoses from their corresponding aldoses in food and beverage production.Authors thank Ministerio de Ciencia e Innovación (projects AGL2009-11909 and AGL2011-27884), Ministerio de Economía y Competitividad (project CTQ2012-32957) and the European founding from FEDER program for financial support. L. Ruiz-Aceituno is supported by CSIC by a JAE-Pre grant, co-financed by the European Social Fund (ESF). C. Carrero-Carralero thanks Ministerio de Ciencia e Innovación (Spain) for a predoctoral contract.Peer Reviewe

Hipersensibilidad en el gato

En el gato, el picor es un signo más difícil de reconocer que en el perro. Las manifestaciones clínicas de prurito son muy limitadas en la especie felina, de tal forma que se pueden reducir a cinco formas o cuadros principales:(1)la dermatitis miliar,(2)el prurito facial, (3) la alopecia simétrica, (4) el complejo granuloma eosinofílico y (5) la dermatitis costrosa/escamosa más o menos localizada. De entre las numerosas causas que pueden ocasionar picores, las reacciones de hipersensibilidad (a pulgas, alimentos, alérgenos inhalados, alérgenos de contacto, fármacos y parásitos intestinales) constituyen el grupo etiológico más importante después de los procesos parasitarios. Debido a la similitud de sintomatología cutánea que manifiestan los distintos alérgenos, se impone un buen conocimiento de los tests laboraroriales disponibles de cara a establecer un diagnóstico diferencial preciso y un tratamiento idóneo.The itchy in the cat is more difficult to recognize than the itchy in the dog. There are only five important patterns of cutaneous disease associated with pruritus in the cat: (1) miliary dermatitis, (2) pruritus of the head, (3) symetrical alopecia, (4) eosinophilic granuloma complex, and (5) regional or generalized scaling/crusting dermatosis. Hipersensibility (to flea, aereoalergen, food, contac, drug, intestinal parasite) is after parasitic dermatosis, the most important cause of pruritus. Because the simzJarcutaneous manzfestation of the different alergens, is neccessary to know the laboratory tests in arder to stablishing an accurate diagnosis and the better treatment

Optimization of the Floodplain Encroachment calculation with hydraulic criteria

[ES] La legislación española actual exige que en los estudios de inundabilidad se delimite la Zona de Flujo Preferente (ZFP), compuesta por envolvente de la Zona de Inundación Peligrosa (ZIP) y la Vía de Intenso Desagüe (VID). La delimitación de la VID es compleja, subjetiva, y no tiene solución única. Habitualmente se determina mediante la restricción de la zona disponible para el flujo, estrechando la zona que ocupa la avenida de 100 años de periodo de retorno, es decir, no permitiendo el flujo en las zonas más alejadas del eje del río. En el presente trabajo se analiza el concepto de VID, y se muestra cómo, en algunos casos, el método anterior no es el mejor, en especial en presencia de zonas de flujo desconectadas o en casos en los que el flujo puede tener una componente transversal importante. Finalmente, se presenta una metodología para la definición de una VID con el mayor sentido físico posible, mediante modelización numérica bidimensional.[EN] The current Spanish legislation requires flood risk assessment studies to determine the Preferential Flow Zone (ZFP), which consists of the union of the Hazardous Flood Area (ZIP) and the Intense Flow Path (VID). The definition of the VID is complex, subjective, and has no unique solution. It is usually determined by subsequently restricting the area available for flow, narrowing the area that initially occupies the flood of a 100-year return period, and controlling the increase in water depth this floodplain restriction causes. In this work the concept of VID is analysed, and it is shown how, in some cases, the common previous method is not the best, especially in the presence of disconnected flow zones or in cases where the flow may have an important transverse component. Finally, a methodological proposal is presented for the definition of a VID with physical sense, using two-dimensional numerical modelling.Sanz-Ramos, M.; Bladé, E.; Escolano, E. (2020). Optimización del cálculo de la Vía de Intenso Desagüe con criterios hidráulicos. Ingeniería del agua. 24(3):203-218. https://doi.org/10.4995/ia.2020.13364OJS203218243ACA. 2003. Recomanacions tècniques per als estudis d'inundabilitat d'àmbit local. Guia Tècnica, Agència Catalana de l'Aigua. Generalitat de Catalunya. Març 2003. [online] Available from: http://www.gencat.net/aca.ACA. 2007. Planificació de l'Espai Fluvial. Estudis d'inundabilitat en l'àmbit del projecte PEFCAT - Memòria específica Conca de La Muga.Anta Álvarez, J., Bermúdez, M., Cea, L., Suárez, J., Ures, P., Puertas, J. 2015. Modelización de los impactos por DSU en el río Miño (Lugo). Ingeniería del agua, 19(2), 105-116. https://doi.org/10.4995/ia.2015.3648Arcement, G.J., Schneider, V.R. 1989. Guide for selecting Manning's roughness coefficients for natural channels and flood plains.Balairón Pérez, L., López, D., Morán, R., Ramos, T., Toledo, M.Á. 2014. Avances en investigación aplicada mediante modelación física y numérica en el diseño de la ingeniería de presas, Ingeniería del Agua, 18(1), 55-69. https://doi.org/10.4995/ia.2014.3143Barnes, H.H. 1987. Roughness Characteristics of Natural Channels, Tech. Report, Geol. Surv. Water-Supply, United States Gov. Print. Off. Washington, U.S.A, 219. https://doi.org/10.1016/0022-1694(69)90113-9Bladé, E., Cea, L., Corestein, G., Escolano, E., Puertas, J., Vázquez-Cendón, E., Dolz, J., Coll, A. 2014a. Iber: herramienta de simulación numérica del flujo en ríos, Rev. Int. Métodos Numéricos para Cálculo y Diseño en Ing., 30(1), 1-10. https://doi.org/10.1016/j.rimni.2012.07.004Bladé, E., Cea, L., Corestein, G. 2014b. Modelización numérica de inundaciones fluviales, Ing. del Agua, 18(1), 71-82. https://doi.org/10.4995/ia.2014.3144Bladé, E., Sanz-ramos, M., Amengual, A., Romero, R., Roux, H., Savatier, J., Cherriere, M. 2018. Gestión integrada del riesgo de inundación y de los recursos hídricos empleando modelización integrada meteorológica, hidrológica e hidráulica, in XI Jornadas Españolas de Presas, León, Spain.Bladé, E., Sánchez-Juny, M., Arbat-Bofill, M., Dolz, J. 2019a. Computational Modeling of Fine Sediment Relocation Within a Dam Reservoir by Means of Artificial Flood Generation in a Reservoir Cascade, Water Resour. Res., 55(4), 3156-3170. https://doi.org/10.1029/2018WR024434Bladé, E., Sanz-Ramos, M., Dolz, J., Expósito-Pérez, J. M., Sánchez-Juny, M. 2019b. Modelling flood propagation in the service galleries of a nuclear power plant, Nucl. Eng. Des., 352, 110180. https://doi.org/10.1016/j.nucengdes.2019.110180BOE-A-2008-755. 2008. Real Decreto 9/2008, de 11 de enero, por el que se modifica el Reglamento del Dominio Público Hidráulico, aprobado por el Real Decreto 849/1986, de 11 de abril, Boletín Of. del Estado núm. 14, 16 enero 2008, páginas 3141 a 3149. Minist. la Pres., 9.BOE-A-2010-11184. 2010. Real Decreto 903/2010, de 9 de julio, de evaluación y gestión de riesgos de inundación, Boletín Of. del Estado. núm. 171, 15 julio 2010, páginas 61954 a 61967. Minist. la Pres., 14.BOE-A-2016-12466. 2016. Real Decreto 638/2016, de 9 de diciembre, por el que se modifica el Reglamento del Dominio Público Hidráulico aprobado por el Real Decreto 849/1986, de 11 de abril, el Reglamento de Planificación Hidrológica, aprobado por el Real Decreto 907/2007, y otros, Boletín Of. del Estado. núm. 314, 29 diciembre 2016, páginas 91133 a 91175. Minist. Agric. y Pesca, Aliment. y Medio Ambient., 43.Cea, L., Bladé, E. 2015. A simple and efficient unstructured finite volume scheme for solving the shallow water equations in overland flow applications, Water Resour. Res., 51(7), 5464-5486. https://doi.org/10.1002/2014WR016547Cea, L., Bermúdez, M., Puertas, J., Bladé, E., Corestein, G., Escolano, E., Conde, A., Bockelmann-Evans, B., Ahmadian, R. 2016. IberWQ: new simulation tool for 2D water quality modelling in rivers and shallow estuaries, J. Hydroinformatics, 18(5), 816-830. https://doi.org/10.2166/hydro.2016.235Chaudhry, M.H. 2008. Open-channel flow, Second Edition. Springer Science+Business Media, LLC. https://doi.org/10.1007/978-0-387-68648-6DOUE-L-2007-82010. 2007. Directiva 2007/60/CE del Parlamento Europeo y del Consejo, de 23 de octubre de 2007, relativa a la evaluación y gestión de los riesgos de inundación.Federal Emergency Management Agency (FEMA). 2015. Department of Homeland Security. Mitigation and Division: Multihazard Loss Estimation Methodology. Flood Model. Hazus-HM MR5 Technical Manual, EEUU.Fonseca, A.R., Santos, M., Santos, J.A. 2018. Hydrological and flood hazard assessment using a coupled modelling approach for a mountainous catchment in Portugal, Stoch. Environ. Res. Risk Assess., 1. https://doi.org/10.1007/s00477-018-1525-1González-Aguirre, J.C., Vázquez-Cendón, M.E., Alavez-Ramírez, J. 2016. Simulación numérica de inundaciones en Villahermosa México usando el código IBER, Ing. del Agua, 20(4), 201. https://doi.org/10.4995/ia.2016.5231ISDR. 2009. Global assessment report on disaster risk reduction, United Nations, Geneva, Switzerland.Kron, W. 2005. Flood Risk = Hazard + Values + Vulnerability, Water Int., 30(1), 58-68. https://doi.org/10.1080/02508060508691837López, D., Ramos, T., Sánchez, P., Marivela, R., Díaz, R., Rebollo, J.J., Andrés, F.R., Cuellar, V., De Blas, M., García, J.L. 2018. Smoothed particle hydrodynamics method for three- dimensional open channel flow simulations, J. Appl. Fluid Mech., 11(6), 1599-1611. https://doi.org/10.29252/jafm.11.06.28608MAGRAMA. 2011. Guía Metodológica para el Desarrollo del Sistema Nacional de Cartografía de Zonas Inundables, Ministerio de Medio Ambiente y Medio Rural y Marino. Gobierno de España: Madrid, España.MAPAMA. 2017. Guía de apoyo a la aplicación del RDPH enlas limitaciones a los usos del suelo en las zonas inundables de origen fluvial, Ministerio de Agricultura y Pesca, Alimentación y Medio Ambiente.Martínez-Gomariz, E., Gómez, M., Russo, B. 2016a. Estabilidad de personas en flujos de agua, Ing. del agua, 20(1), 43-58. https://doi.org/10.4995/ia.2016.4231Martínez-Gomariz, E., Gómez, M., Russo, B. 2016b. Experimental study of the stability of pedestrians exposed to urban pluvial flooding, Nat. Hazards, 82(2), 1259-1278. https://doi.org/10.1007/s11069-016-2242-zMMA. 1996. Clasificación de presas en Función del Riesgo Potencial - Guía Técnica, Ministerio de Medio Ambiente. Dirección General de Obras Hidráulicas y Calidad de las Aguas.Ochoa García, S.A., Reyna, T., García, M., Herrero, H., Díaz, J.M., Heredia, A. 2017. Análisis de la implementación de un modelo hidrodinámico tridimensional al flujo de un cauce natural, Ing. del Agua, 21(2), 103-107. https://doi.org/10.4995/ia.2017.6885Ribó, R., De Riera, M., Escolano, E. 1999. GiD Reference Manual, Ed. CIMNE, Spain.Roux, H., Amengual, A., Romero, R., Bladé, E., Sanz-Ramos, M. 2019. Evaluation of two hydrometeorogical ensemble strategies for flash flood forecasting over a catchment of the eastern Pyrenees, Nat. Hazards Earth Syst. Sci. Discuss., 425-450. https://doi.org/10.5194/nhess-2019-232.Ruiz-Villanueva, V., Bodoque, J. M., Díez-Herrero, A., Bladé, E. 2014. Large wood transport as significant influence on flood risk in a mountain village, Nat. Hazards, 74(2), 967-987. https://doi.org/10.1007/s11069-014-1222-4Russo, B., Gómez, M., Macchione, F. 2013. Pedestrian hazard criteria for flooded urban areas, Nat. Hazards, 69(1), 251-265. https://doi.org/10.1007/s11069-013-0702-2Sanz-Ramos, M., Bladé, E., Niñerola, D., Palau-Ibars, A. 2018a. Evaluación numérico-experimental del comportamiento histérico del coeficiente de rugosidad de los macrófitos, Ing. del Agua, 22(3), 109-124. https://doi.org/10.4995/ia.2018.8880Sanz-Ramos, M., Amengual, A., Bladé, E., Romero, R., Roux, H. 2018b. Flood forecasting using a coupled hydrological and hydraulic model (based on FVM) and highresolution meteorological model, in E3S Web of Conferences, vol. 40.Sanz-Ramos, M., Bladé Castellet, E., Palau Ibars, A., Vericat Querol, D., Ramos-Fuertes, A. 2019a. IberHABITAT: evaluación de la Idoneidad del Hábitat Físico y del Hábitat Potencial Útil para peces. Aplicación en el río Eume, Ribagua, 6(2), 158-167. https://doi.org/10.1080/23863781.2019.1664273Sanz-Ramos, M., Olivares Cerpa, G., Bladé i Castellet, E. 2019b. Metodología para el análisis de rotura de presas con aterramiento mediante simulación con fondo móvil, Ribagua, 6(2), 138-147. https://doi.org/10.1080/23863781.2019.1705198Sopelana, J., Cea, L., Ruano, S. 2017. Determinación de la inundación en tramos de ríos afectados por marea basada en la simulación continúa de nivel, Ing. del Agua, 21(4), 231-246. https://doi.org/10.4995/ia.2017.8770Toro, E. F. 2009. Riemann Solvers and Numerical Methods for Fluid Dynamics, Springer, Berlin (Heidelberg). https://doi.org/10.1007/b79761UNISDR. 2015. The human cost of weather related disasters (1995-2015)

Procedimiento de reconstrucción de la topografía corneal a partir de datos altímetros o de curvatura

Número de publicación: ES2392619 A1 (12.12.2012) También publicado como: ES2392619 B1 (22.10.2013) Número de Solicitud: Consulta de Expedientes OEPM (C.E.O.) P201000842(08.06.2010)Procedimiento de reconstrucción de la topografía corneal a partir de datos altimétricos o de curvatura. La invención consiste en un método de reconstrucción de la superficie de la cara anterior de la córnea, a partir de los datos medidos en un conjunto discreto de puntos por medio de un topógrafo corneal o equipo equivalente. Se trata de un procedimiento que obtiene una expresión analítica de la superficie, combinando un ajuste por polinomios de Zernike o con esfera de mejor ajuste, con una reconstrucción por funciones de base radial gaussianas. Se logra obtener una descripción detallada de la superficie corneal, permitiendo un diagnóstico más fiable de patologías, o la implementación de tratamientos customizados. Este procedimiento es fácilmente implementable en cualquier topógrafo corneal, tomógrafo de coherencia óptica, equipos de lámpara de hendidura y equivalentes, de los existentes en el mercado, como sustituto del método estándar basado en polinomios de Zernike.Universidad de Almerí

An adaptive algorithm for the cornea modeling from keratometric data

In this paper we describe an adaptive and multi-scale algorithm for the parsimonious t of the corneal surface data that allows to adapt the number of functions used in the reconstruction to the conditions of each cornea. The method implements also a dynamical selection of the parameters and the management of noise. It can be used for the real-time reconstruction of both altimetric data and corneal power maps from the data collected by keratoscopes, such as the Placido rings based topographers, decisive for an early detection of corneal diseases such as keratoconus. Numerical experiments show that the algorithm exhibits a steady exponential error decay, independently of the level of aberration of the cornea. The complexity of each anisotropic gaussian basis functions in the functional representation is the same, but their parameters vary to fit the current scale. This scale is determined only by the residual errors and not by the number of the iteration. Finally, the position and clustering of their centers, as well as the size of the shape parameters, provides an additional spatial information about the regions of higher irregularity. These results are compared with the standard approximation procedures based on the Zernike polynomials expansions

Clinical proteomics in kidney disease as an exponential technology: Heading towards the disruptive phase

Exponential technologies double in power or processing speed every year, whereas their cost halves. Deception and disruption are two key stages in the development of exponential technologies. Deception occurs when, after initial introduction, technologies are dismissed as irrelevant, while they continue to progress, perhaps not as fast or with so many immediate practical applications as initially thought. Twenty years after the first publications, clinical proteomics is still not available in most hospitals and some clinicians have felt deception at unfulfilled promises. However, there are indications that clinical proteomics may be entering the disruptive phase, where, once refined, technologies disrupt established industries or procedures. In this regard, recent manuscripts in CKJ illustrate how proteomics is entering the clinical realm, with applications ranging from the identification of amyloid proteins in the pathology lab, to a new generation of urinary biomarkers for chronic kidney disease (CKD) assessment and outcome prediction. Indeed, one such panel of urinary peptidomics biomarkers, CKD273, recently received a Food and Drug Administration letter of support, the first ever in the CKD field. In addition, a must-read resource providing information on kidney disease-related proteomics and systems biology databases and how to access and use them in clinical decision-making was also recently published in CKJ.Grant support was received from: ISCIII and FEDER funds PI13/00047; EUTOX, CP12/03262, CP14/00133, PI15/00298, PI14/00386, PI15/01460, PI16/01900, PI16/02057; Diabetes Cancer Connect PIE13/00051; Sociedad Española de Nefrologia; FRIAT; and ISCIII-RETIC REDinREN RD016/009. Salary support was received from: ISCIII Miguel Servet to A.B.S., A.M.R. and M.D.S.-N.; Joan Rodes to B.F.-F; and Programa Intensificación Actividad Investigadora (ISCIII/Agencia Laín-Entralgo/CM) to A.O

Synthesis of Ni nanoparticles by dc magnetron sputtering

Magnetic materials have been used with grain sizes down to the nanoscale for longer than any other type of material. The biomedical applications cover from magnetic separation of specific biological entities from their native environment to drug delivery, hyperthermia treatments or MRI contrast enhancement [1]. There are many synthesis methods depending on the final applications of the magnetic nanoparticles [2]. Sputtering methods are less extensively used, maybe due to the low efficiency of the process, however these methods have the advantage of a good control on the composition and size of the particles. Research has focused mainly on Fe [3,4], Co [5] and FeCo alloys [6]. In this work we apply the dc magnetron sputtering technique to the growth of Ni nanoparticles