Theoretical study on the activation mechanism of AMP-kinase by means of Molecular Dynamics Simulations

Mammalian AMP-activated protein kinase (AMPK) is a Ser108/Thr132 heterotrimeric enzyme complex (one catalytic subunit a and two regulatory subunits b and g) with a key role as sensor in the cellular energy homeostasis. This function confers AMPK a major role in numerous metabolic disorders, such as type 2 diabetes, obesity and cancer, and explains the progressive interest as a therapeutic target. AMPK is regulated by several mechanisms including indirect and direct activators, which show clear specificity by a particular subunit. We have carried out a series of molecular dynamic simulations of the apo and holo forms of AMPK to gain insight into the mechanism of AMPK activation

Theoretical study on the activation mechanism of AMP-kinase by means of Molecular Dynamics Simulations

Mammalian AMP-activated protein kinase (AMPK) is a Ser108/Thr132 heterotrimeric enzyme complex (one catalytic subunit a and two regulatory subunits b and g) with a key role as sensor in the cellular energy homeostasis. This function confers AMPK a major role in numerous metabolic disorders, such as type 2 diabetes, obesity and cancer, and explains the progressive interest as a therapeutic target. AMPK is regulated by several mechanisms including indirect and direct activators, which show clear specificity by a particular subunit. We have carried out a series of molecular dynamic simulations of the apo and holo forms of AMPK to gain insight into the mechanism of AMPK activation

Uptake and metabolism of olive oil polyphenols in human breast cancer cells using nano-liquid chromatography coupled to electrospray ionization–time of flight-mass spectrometry

Polyphenols from extra virgin olive oil (EVOO), a main component of the Mediterranean diet, have demonstrated repeatedly anti-tumor activity in several in vitro and in vivo studies. However, little is known about the efficiency of the absorption process and metabolic conversion of these compounds at cellular level. In this study, a nano liquid chromatography–electrospray ionization–time of flight mass spectrometry (nanoLC–ESI–TOF MS) method was developed to study the cellular uptake and metabolism of olive oil phenols in JIMT-1 human breast cancer cells. After incubation for different time periods with EVOO-derived phenolic extracts, culture media, cytosolic fraction and solid particles fraction were separated and analyzed. Most of the free phenols, mainly hydroxytyrosol, its secoiridoid derivatives, and the flavonoid luteolin, disappeared in the culture media in different ways and at different times. Besides, several metabolites were detected in the culture media, fact that may indicate absorption and intracellular metabolism followed by rapid cellular export. Low intracellular accumulation was observed with only traces of some compounds detected in the cytosolic and solid particles fractions. Methylated conjugates were the major metabolites detected, suggesting a catalytic action of catechol-O-methyl transferase (COMT) in cancer cells.The authors are very grateful to Ministry of Education and Science (FPU, AP2005-4356) and Junta de Andalucia (project P09-FQM-5469, project P07-AGR-02619 and AGL 2008-05108- CO3-03/ALI). Besides, this work was supported in part by Instituto de Salud Carlos III (Ministerio de Sanidad y Consumo, Fondo de Investigación Sanitaria – FIS, Spain, Grants CP05-00090, PI06-0778 and RD06-0020-0028)

Exploratory analysis of human urine by LC–ESI-TOF MS after high intake of olive oil: understanding the metabolism of polyphenols

Olive oil polyphenols have important biological properties which closely depend on their bioavailability, therefore it is essential to understand how polyphenols are absorbed, metabolized and eliminated from the body. An analytical methodology based on rapid resolution liquid chromatography (RRLC) coupled to mass spectrometry detection with a time of flight analyzer (RRLC-ESI-TOF MS) was developed for the determination of the main olive oil phenolic compounds and their metabolites in human urine. Urine samples from ten healthy volunteers were collected before and 2, 4 and 6 h after the intake of 50 mL of extra-virgin olive oil. The proposed method includes liquid-liquid extraction with ethyl acetate that provides extraction recoveries of the phenolic compounds studied between 35 and 75% from spiked urine samples. Good repeatability was obtained, since the relative standard deviations (RSDs) of peak areas in the intra- and inter-day studies were 4.3 and 6.5%, respectively. Statistical studies allowed us to discriminate between the urine samples before and after the intake, and facilitated to find out the m/z values responsible of this discrimination. Based on the very accurate mass information and the isotopic pattern provided by TOF-MS analyzer, together with other available information, ten of these biomarkers and more than 50 metabolites, obtained through phase I and phase II biotransformation reactions, were tentatively identified. Additionally, kinetic studies of the metabolites identified as possible biomarkers were developed, obtaining maximal values in the first two hours for most compounds.The authors are very grateful to Ministry of Education and Science (FPU, AP2005-4356 and Project AGL 2008- 05108-613 CO3-03/ALI), and Junta de Andalucía (P07-AGR-02629 and P09-FQM-5469)

Pérdida auditiva inducida por ruido en trabajadores expuestos en su ambiente laboral

Introducción: La pérdida auditiva inducida por ruido constituye un verdadero problema desde el punto de vista social y de la salud, debido a su constante incremento, conforme la civilización avanza y se desarrolla. Con la industrialización y la falta de conciencia sobre su incidencia, este padecimiento se acrecienta día a día. Se estima que un tercio de la población mundial padece algún grado de afectación inducida por ruidos. Es importante conocer la prevalencia debido a que la hipoacusia inducida por el ruido es una de las principales causas de discapacidad prevenible. Objetivos: Identificar el riesgo laboral en el que se encuentran los trabajadores expuestos al ruido industrial, mediante la medición del grado de hipoacusia en vinculación con su entorno laboral y el estudio de la situación actual de la normativa vigente en materia de salud laboral, a fin de elaborar propuestas para la mejora de la situación detectada. Material y Métodos: Estudio descriptivo transversal con componente analítico, tomando como muestra a 109 trabajadores de una empresa de medios de comunicación de la ciudad de Asunción, en el año 2017, con el fin de identificar la prevalencia de las hipoacusias inducidas por ruido y su relación con los factores que las producen. Resultados: Fueron estudiados un total de 109 trabajadores, de distintos sectores de una empresa de comunicación gráfica. Presentaron hipoacusia sensorioneural 49 trabajadores, lo que representa una prevalencia del 45 %. Conclusiones: Existe riesgo significativo de lesiones auditivas en trabajadores expuestos a una contaminación sonora en dependencia de la exposición de carga horaria diaria y teniendo en cuenta que la naturaleza de la lesión tiene un carácter irreversible, es necesario mejorar las orientaciones respecto a las medidas preventivas. Ética: se respetan los principios de ética, preservando la identidad de los trabajadores evaluados. Respeta los principios de beneficencia puesto que puede contribuir a la salud auditiva de los mismos así como de no maleficencia puesto que este estudio no presenta riesgos. Ética: se respetan los principios de ética, preservando la identidad de los trabajadores evaluados. Respeta los principios de beneficencia puesto que puede contribuir a la salud auditiva de los mismos así como de no maleficencia puesto que este estudio no presenta riesgos

Magnetic correlations in the triangular antiferromagnet FeGa2 S4

The crystal structure and magnetic correlations in triangular antiferromagnet FeGa2S4 are studied by x-ray diffraction, magnetic susceptibility, neutron diffraction, and neutron inelastic scattering. We report significant mixing at the cation sites and disentangle magnetic properties dominated by major and minor magnetic sites. The magnetic short-range correlations at 0.77Å-1 correspond to the major sites and being static at base temperature they evolve into dynamic correlations around 30-50 K. The minor sites contribute to the magnetic peak at 0.6Å-1, which vanishes at 5.5 K. Our analytical studies of triangular lattice models with bilinear and biquadratic terms provide the ratios between exchanges for the proposed ordering vectors. The modeling of the inelastic neutron spectrum within linear spin-wave theory results in the set of exchange couplings J1=1.7,J2=0.9,J3=0.8meV for the bilinear Heisenberg Hamiltonian. However, not all features of the excitation spectrum are explained with this model.Fil: Guratinder, K.. Universidad de Ginebra; SuizaFil: Schmidt, M.. Max-Planck-Institut für Chemische Physik fester Stoffe; AlemaniaFil: Walker, H. C.. Rutherford Appleton Laboratory; Reino UnidoFil: Bewley, R.. Rutherford Appleton Laboratory; Reino UnidoFil: Wörle, M.. Laboratorium für Anorganische Chemie; SuizaFil: Cabra, Daniel Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Osorio, Santiago Antonio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Bariloche; ArgentinaFil: Villalba, Maria Luisa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física de Líquidos y Sistemas Biológicos. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física de Líquidos y Sistemas Biológicos; ArgentinaFil: Madsen, A. K.. Paul Scherrer Institute; SuizaFil: Keller, L.. Paul Scherrer Institute; SuizaFil: Wildes, A.. Institut Laue Langevin; FranciaFil: Puphal, P.. Institut Laue Langevin; FranciaFil: Cervellino, A.. Institut Laue Langevin; FranciaFil: Rüegg, Ch.. Universidad de Ginebra; SuizaFil: Zaharko, O.. Universidad de Ginebra; Suiz

Definition of a list of shellfish diseases to aid health management in Spain

Poster.-- 14th EAFP International conference on diseases of fish and shellfish, Prague, 14-19 September 2009An expert working group used a risk ranking technique to compile a list of shellfish disease hazards (pathogens) of relevance to Spanish aquaculture. It was possible to divide the list into three groups: I-high national risk; II-regional risk; III-low risk. The three groups were as follows: Group I (high risk) Haplosporidium nelsoni, Nocardia crassostreae (nocardiosis) and GNVD/HIVD (Iridovirus) Group II (regional risk) Haplosporidium montforti, Perkinsus mediterraneus, P. olseni/atlanticus, Marteilia refringens, Bonamia ostreae and Mikrocytos mackini Group III (low risk) Haplosporidium armoricanum, Xenohaliotis californiensis, Herpesvirus, Perkinsus marinus and Bonamia exitiosa The exercise formed part of a project concerning aquaculture health management (Jacumar-GESAC) in Spain and is being used to help define sampling plans for disease monitoring using epidemiological and risk-based criteriaN

ICOS-Spain. Activity Report 2021-2022

Editors: O.E. García, S.F. León-Luis y Melchor González-Dávila.[ES]El Sistema Integrado de Observación del Carbono (ICOS) es una infraestructura europea de investigación (ERIC) que tiene por objetivo la monitorización de gases de efecto invernadero. Esta iniciativa está financiada por la Unión Europea y países socios. La Asamblea General de ICOS aprobó la solicitud de adhesión de España, y su incorporación se hizo oficial el 1 de enero de 2021. En la actualidad, la red ICOS-España, donde AEMET ejerce la coordinación, cuenta con cinco estaciones que cubren los dominios: atmosférico, oceánico y de ecosistema. El "Informe de Actividades ICOS-España: 2021-2022" presenta las principales tareas llevadas a cabo en cada estación, con el objetivo de obtener la certificación ICOS y mostrar el estado actual de avance en este proceso. Además, el informe también resume las actividades de comunicación y difusión realizadas por los investigadores que forman parte del nodo nacional.[EN]The Integrated Carbon Observation System (ICOS) is a European Research Infrastructure (ERIC) that aims to monitor greenhouse gases. This initiative is funded by the European Union and partner countries. The ICOS General Assembly approved Spain's membership, and its incorporation officially began on January 1, 2021. Currently, the ICOS-Spain national network, coordinated by AEMET, has five stations covering atmospheric, oceanic, and ecosystem domains. The "ICOS-Spain Activities Report: 2021-2022" presents the main tasks carried out at each station, with the aim of obtaining ICOS certification and the current situation of this process. In addition, the report also summarizes the communication and dissemination activities carried out by the researchers who are part of the national node

Improving the reporting quality of intervention trials addressing the inter-individual variability in response to the consumption of plant bioactives: quality index and recommendations

PURPOSE: The quality of the study design and data reporting in human trials dealing with the inter-individual variability in response to the consumption of plant bioactives is, in general, low. There is a lack of recommendations supporting the scientific community on this topic. This study aimed at developing a quality index to assist the assessment of the reporting quality of intervention trials addressing the inter-individual variability in response to plant bioactive consumption. Recommendations for better designing and reporting studies were discussed. METHODS: The selection of the parameters used for the development of the quality index was carried out in agreement with the scientific community through a survey. Parameters were defined, grouped into categories, and scored for different quality levels. The applicability of the scoring system was tested in terms of consistency and effort, and its validity was assessed by comparison with a simultaneous evaluation by experts' criteria. RESULTS: The "POSITIVe quality index" included 11 reporting criteria grouped into four categories (Statistics, Reporting, Data presentation, and Individual data availability). It was supported by detailed definitions and guidance for their scoring. The quality index score was tested, and the index demonstrated to be valid, reliable, and responsive. CONCLUSIONS: The evaluation of the reporting quality of studies addressing inter-individual variability in response to plant bioactives highlighted the aspects requiring major improvements. Specific tools and recommendations favoring a complete and transparent reporting on inter-individual variability have been provided to support the scientific community on this field

The first cetacean sightings network in Spain: results of a co-operation within the Spanish Cetacean Society

3 pages, 2 tables.-- Fifteenth Annual Conference of the European Cetacean Society, Rome, Italy, 6-10 May 200ln 1999, the Spanish Cetacean Society (SEC) was created in order to co-ordinate the activities of different organisations and research groups in Spain, and to provide assistance to regional and national authorities in issues related to the conservation of the marine environment. In July 1999, the Spanish Ministry for the Environment appointed to the SEC the custody of a national database of shandings and sightings of cetaceans in order to standardise the methodology used by all groups involved in these activities, and to facilitate the exchange of information among researchers. The Sightings Working Group of the SEC has been, since then, developing and updating the cetacean sightings database with the participation of most research and conservation groups working in Spain. This is the fìrst time in Spain that most groups put together their information creating a National Sightings Network and giving a fairly complete vision of cetacean distribution throughout the whole country, showing the importance of co-ordinated co-operation in the context of conservationDGCN (National Environment Agency) of the Spanish Ministry for the EnvironmentN