BUSCADOR RECOLECTA

This corresponds to a series of approximately 40,000 quantum chemical calculations on one single system, the model dipeptide HCO-L-Ala-NH2, with 16 atoms and no charge. The conformational space of this molecule is scanned by defining a regular 12x12 grid from -165º to 165º in 30º steps in the 2D space spanned by its Ramachandran angles phi and psi. The energy at each of these 144-points set is calculated using using the methods RHF and MP2, and a large number of Pople basis sets ranging from 3-21G to 6-311++G(2df,2pd). These methods are combined using the same one for the geometry optimization and the energy calculation (homolevel) or different ones (heterolevel). The dataset contains 274 grids, each one corresponding to a different homo- or heterolevel. This consists of a set of human-readable ASCII files in the output format of Gaussian 03, in folders with descriptive names and compressed using tar and gzip (i.e., you need the GNU applications tar and gzip to uncompress them). Created with Gaussian 03, Revision C.02. Readable with any text editor. This dataset is made available under the Open Database License: http://opendatacommons.org/licenses/odbl/1.0/. Any rights in individual contents of the database are licensed under the Database Contents License: http://opendatacommons.org/licenses/dbcl/1.0/, This dataset is the basis of an exhaustive published study (see https://digital.csic.es/handle/10261/35334) of more than 250 ab initio potential energy surfaces (PESs) of the model dipeptide HCO-L-Ala-NH2. The model chemistries (MCs) investigated are constructed as homo- and heterolevels involving possibly different RHF and MP2 calculations for the geometry and the energy. The basis sets used belong to a sample of 39 representants from Pople's split-valence families, ranging from the small 3-21G to the large 6-311++G(2df,2pd). The reference PES to which the rest are compared is the MP2/6-311++G(2df,2pd) homolevel, which, as far as we are aware, wss the most accurate PES in the literature at the moment of its publication. The great number of MCs evaluated has allowed us to significantly explore this space and show that the correlation between accuracy and computational cost of the methods is imperfect, thus justifying a systematic search for the combination of features in a MC that is optimal to deal with peptides. Regarding the particular MCs studied, the most important conclusion is that the potentially very cost-saving heterolevel approximation is a very efficient one to describe the whole PES of HCO-L-Ala-NH2. Finally, we show that, although RHF may be used to calculate the geometry if a MP2 single-point energy calculation follows, pure RHF//RHF homolevels are not recommendable for this problem., This work has been supported by the research projects E24/3 and PM048 (Aragón Government), MEC (Spain) FIS2006-12781-C02-01 and MCyT (Spain) FIS2004-05073-C04-01. P. Echenique was supported by a BIFI research contract., Peer reviewed

[EN] Programa del Congreso Internacional “Western Europe in the First Millennium BC: Crossing the divide”, organizado por Tom Moore y Xosé-Lois Armada y celebrado en el Departamento de Arqueología de la Universidad de Durham, Reino Unido (23-25 de noviembre de 2007)., [ES] Programme of the International conference “Western Europe in the First Millennium BC: Crossing the divide”, organized by Tom Moore and Xosé-Lois Armada and held at the Department of Archaeology, Durham University, UK (November 23-25th, 2007).

Suplemento on line del libro de P. Boned y J. Rodríguez Somolinos, Repertorio Bibliográfico de la Lexicografía Griega, Anejo III del Diccionario Griego-Español, Madrid, CSIC, 1998, El objetivo principal de esta bibliografía es, al igual que en el volumen de 1998 al que suplementa, el de proporcionar a los estudiosos de cualquier disciplina relacionada con la antigüedad clásica un nuevo instrumento de trabajo al que acudir a la hora de localizar los estudios existentes sobre una palabra griega dada, intentando cubrir el incesante flujo de nuevas publicaciones hasta el año 2008. Está basado en la revisión exhaustiva de cientos de revistas, monografías, volúmenes colectivos y otros repertorios bibliográficos. Está dividido en tres secciones: 1. Un catálogo de índices, léxicos y concordancias de autores y obras griegos. 2. Una bibliografía de artículos y libros relacionados con lexicografía, lexicología y semántica del griego antiguo. 3. Una bibliografía ordenada por las palabras griegas, que remite a los trabajos incluidos en la sección 2., Peer reviewed

The item is made of 2 files, of which 1 is the dataset and the other includes a small description of the measured variables.-- Dataset contributed to the Project Carbochange, This dataset gathers discrete measurements of CO2 (pH and alkalinity) and hydrographic variables (salinity, temperature, dissolved oxygen, nitrate, phosphate and silicate) obtained during the cruise P3A22008. carried out in the Strait of Gibraltar from 6 to 12 October 2008, pH was measured spectrophotometrically following the Clayton and Byrne (1993). This method consists on adding a dye solution to the seawater sample, so that the ratio between two absorbances at two different wavelengths is proportional to the sample pH. Alkalinity was measured using an automatic potentiometric titrator Titrando 794 Metrohm, with a Metrohm 6.0232.100 combination glass electrode and a Pt-1000 probe for temperature measurement following the methodology given by Pérez and Fraga (1987). Dissolved oxygen was analyzed following the widely applied Winkler method. Determinations of nitrate, phosphate and silicate were carried out following methods described by Hansen and Grassoff (1983) Salinity and Temperature were recorded with a CTD probe, Proyecto CARBOOCEAN (511176GOCE), y proyectos del Ministerio de Ciencia e Innovación (CTM2005/01091-MAR y CTM2008-05680-C02-01), No

The item is made of 2 files, of which 1 is the dataset and the other include a small description of the measured variables.-- Dataset contributed to the Project Carbochange, This dataset gathers discrete measurements of CO2 (pH and alkalinity) and hydrographic variables (salinity, temperature, dissolved oxygen, nitrate, phosphate and silicate) obtained during the cruise OVIDE 2008 carried out from 6 June to 11 July 2008. pH was measured spectrophotometrically following the Clayton and Byrne (1993). This method consists on adding a dye solution to the seawater sample, so that the ratio between two absorbances at two different wavelengths is proportional to the sample pH. Alkalinity was measured using an automatic potentiometric titrator Titrando 809 Metrohm, with a Metrohm 6.0232.100 combination glass electrode and a Pt-1000 probe for temperature measurement following the methodology given by Pérez and Fraga (1987). Dissolved oxygen was analyzed following the widely applied Winkler method. Determinations of nitrate, phosphate and silicate were carried out following methods described by Hansen and Grassoff (1983) Salinity and Temperature were recorded with a CTD probe, French OVIDE Project supported by CNRS, and CARBOOCEAN (511176GOCE), No

Complementary material, containing the raw data used in the Table and Figure included in this article., Peer reviewed

The ALCUDIA transect is a 230 km long, vertical incidence deep seismic reflection profile acquired in 2007. The acquisition parameters, 35 m station spacing, 70 m Vibration Point spacing resulted in a 60-90 fold high resolution seismic reflection image. A 20 s long Vibroseis sweep with frequencies between 8-80 Hz was recorded by a 400 station recording cable and 14 km long split spread configuration., ALCUDIA Normal Incidence (ALCUDIA-NI) is a NE-SW oriented vertical incidence deep seismic reflection transect in the SW of Spain that aimed to image the Variscan Iberian Massif. This transect sampled the Central Iberian Zone and was designed to be the northward continuation of the IBERSEIS-NI seismic profile. The processed image shows a weakly reflective upper crust, a thick, highly reflective and laminated lower crust, and a flat Moho located at 10 s TWTT (30 km depth). The transect can be divided into three segments with different structural styles in the lower crust. In the central segment, the lower crust is imaged by regular, horizontal and parallel reflectors, whereas in the northern and southern segments it displays oblique reflectors interpreted as an important thrust (north) and tectonic wedging involving the mantle (south). The ALCUDIA-NI shows that in an intracontinental orogenic crust, far from the suture zones, the upper and lower crust may react differently to shortening in different sectors, which is taken as evidence for decoupling. The interpreted structures, as deduced from surface geology and the seismic image, show that deformation was distributed homogeneously in the upper crust, whereas it was concentrated in wedge/thrust structures at specific sectors in the lower crust., Spanish Ministry of Science and Innovation, CGL2004-04623/BTE, CSD2006-00041.-- Ministerio de economía y competitividad, CGL2007-63101/BTE.-- Ministerio de economía y competitividad; Fondos Europeos de desarrollo regional (FEDER), CGL2011-24101.-- Junta de Castilla-La Mancha.--, Peer reviewed

RODA-II Cruise (29HE20070201) carried out on the Research Vessel Hespérides in 2007, Oceanic eddies and atmospheric deposition: influence on particle flows and remineralization in the water column. Study of marine eddies and their relationship with cyclones and anticyclones. They have made diverse experiments, to analyze the lethal thresholds of complex mixtures of organic pollutants (PCBs, PAHs ) on natural communities of phytoplankton. Experiments related to ultraviolet radiation, PAHs and Net community production have also been carried out during the cruise

ATOS-1 Cruise (29HE20070627) carried out on the Research Vessel Hespérides in 2007, ATOS: Atmospheric inputs of organic carbon and pollutants to the polar ocean: rates, significance and outlook. The ATOS project aims at resolving the increasing role of air-sea exchanges of materials in the polar sea by (1) quantifying the atmospheric inputs of organic carbon and key organic pollutants both in aerosol and gaseous phases; (2) elucidating the role of sea ice cover in controlling these rates and the inputs associated to sea ice melting; (3) evaluating the fate of the materials, by assessing their use by biota and transference up the food webs, and (4) evaluating the effects on microplankton as the entry points of the materials in the food web, through evaluations of cell mortality in relation to pollutant inputs and parallel increases in ultraviolet raditation dosage, and the evaluation of the effect of the materials on planktonic primary production and community respiration. This project will advance current knowledge on the relevance of air-sea interactions for the metabolism, and flow of pollutants, of pelagic polar ecosystems, as well as provide a basis to forecast the effects of future reductions of sea icea in polar seas and oceans on the functioning of the pelagic ecosystems. Moreover, as the atmospheric materials that enter the sea in polar regions are likely to be introduced elsewhere, primarily on land, this research will provide novel insights onto the role of the atmosphere as a vector linking loading of organic carbon and pollutants in temperate and tropical latitudes and the inputs of these materials to polar seas and oceans. Moreover, the process-based examination of the response of microplankton to these inputs will allow formulation of models to forecast responses to future scenarios

SVAIS Cruise (29HE20070802) carried out on the Research Vessel Hespérides in 2007, The aim of the cruise is to reconstruct the changes that occurred on the seabed southwest of the Svalbard Islands (Norway) since the beginning of the glacial conditions, three million years ago, up to the present time. Thus, a better knowledge of the natural evolution of glaciers during past times, warmer than today, will help us a better understanding of current and future climate changes. 8,600 km2 of the seafloor surveyed for bathymetry and subbottom profiling , 516 km of single channel seismic reflection profiles 31 meters of sediment recovered (6 cores)