1,481 results on '"Ayuela, A."'
Search Results
202. Rolling up two-dimensional layers of silicon sulfide: Dimerization effects and negative strain energy in silicon monosulfide nanotubes
- Author
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Alonso-Lanza, Tomás, Aguilera-Granja, Faustino, Ayuela, Andrés, Ministerio de Ciencia, Innovación y Universidades (España), Eusko Jaurlaritza, and Agencia Estatal de Investigación (España)
- Abstract
Resumen del trabajo presentado al APS March Meeting, celebrado de forma virtual del 13 al 19 de marzo de 2021., We investigatenanotubes of two-dimensional materials isoelectronic to phosphorene by rolling up the recently discovered layers of silicon monosulfide, in phasesthat in order of decreasing stability are labeled as P mma and β [1-3]. We find that the nanotubes of thick layer P mma silicon monosulfide grownaround 1 nm in diameter are stable at room temperature. The nanotubes having small diameters show metallic character, and with increasingdiameter, they become semiconductors because gaps are open by the dimerization of the silicon-silicon distances. Lying at higher energy, we alsofind that the β SiS monolayer nanotubes are stable with negative strain energy, similar to imogolite nanotubes. The theoretical thermal stability ofthese two types of silicon monosulfide nanotubes showing such intriguing properties would request further to investigate procedures for theirnovel synthesis by experimentalists., Project PID2019-105488GB-I00 of the Spanish MICINN, and Project No. IT1246-19 of the Gobierno Vasco-UPV/EHU.
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- 2021
203. Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents
- Author
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María Auxiliadora Dea-Ayuela, Nuria Sotomayor, Viviana Quevedo-Tumailli, Humberto González-Díaz, Deyani Nocedo-Mena, Sonia Arrasate, Iratxe Barbolla, Leidi Hernández-Suárez, Esther Lete, Producción Científica UCH 2021, UCH. Departamento de Farmacia, Ministerio de Economía y Competitividad (España), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Fundación Biofísica Bizkaia, Barbolla, Iratxe, Quevedo-Tumailli, Viviana, Nocedo-Mena, Deyani, Sotomayor, Nuria, and Lete, Esther
- Subjects
Leishmaniasis - Farmacoterapia ,Antiprotozoal Agents ,Paladio - Uso terapéutico ,01 natural sciences ,Pirroloisoquinolina ,03 medical and health sciences ,chemistry.chemical_compound ,Structure-Activity Relationship ,Parasitic Sensitivity Tests ,Aprendizaje automático (Inteligencia artificial) ,Leishmaniasis - Tratamiento - Modelos matemáticos ,Drug Discovery ,Machine learning ,medicine ,Isoquinoline ,Amastigote ,Cytotoxicity ,IC50 ,Leishmaniasis ,030304 developmental biology ,Pharmacology ,Leishmania ,0303 health sciences ,Miltefosine ,Dose-Response Relationship, Drug ,Molecular Structure ,010405 organic chemistry ,Drug discovery ,Pyrroloisoquinoline ,Cheminformatics ,Palladium - Therapeutic use ,Organic Chemistry ,Leishmaniasis - Treatment - Mathematical models ,Biological activity ,General Medicine ,Isoquinolines ,Combinatorial chemistry ,0104 chemical sciences ,chemistry ,Cascade reactions ,Leishmaniasis - Chemotherapy ,Target protein ,Algorithms ,Palladium ,medicine.drug - Abstract
The development of new molecules for the treatment of leishmaniasis is, a neglected parasitic disease, is urgent as current anti-leishmanial therapeutics are hampered by drug toxicity and resistance. The pyrrolo[1,2-b]isoquinoline core was selected as starting point, and palladium-catalyzed Heck-initiated cascade reactions were developed for the synthesis of a series of C-10 substituted derivatives. Their in vitro leishmanicidal activity against visceral (L. donovani) and cutaneous (L. amazonensis) leishmaniasis was evaluated. The best activity was found, in general, for the 10-arylmethyl substituted pyrroloisoquinolines. In particular, 2ad (IC50 = 3.30 μM, SI > 77.01) and 2bb (IC50 = 3.93 μM, SI > 58.77) were approximately 10-fold more potent and selective than the drug of reference (miltefosine), against L. amazonensis on in vitro promastigote assays, while 2ae was the more active compound in the in vitro amastigote assays (IC50 = 33.59 μM, SI > 8.93). Notably, almost all compounds showed low cytotoxicity, CC50 > 100 μg/mL in J774 cells, highest tested dose. In addition, we have developed the first Perturbation Theory Machine Learning (PTML) algorithm able to predict simultaneously multiple biological activity parameters (IC50, Ki, etc.) vs. any Leishmania species and target protein, with high values of specificity (>98%) and sensitivity (>90%) in both training and validation series. Therefore, this model may be useful to reduce time and assay costs (material and human resources) in the drug discovery process., Ministerio de Economía y Competitividad (CTQ2016-74881-P), Ministerio de Ciencia e Innovación (PID2019-104148 GB-I00) and Gobierno Vasco (IT1045-16) are gratefully acknowledged for their financial support. I. B. wishes to thank Fundación Biofísica Bizkaia/Biofisika Bizkaia Fundazioa (FBB) for a postdoctoral grant.
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- 2021
204. On the quest for rhombohedral stacking in graphene
- Author
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Pelc, M., Guerrero-Avilés, Raúl, Geisenhof, Fabian R., Weitz, R. Thomas, and Ayuela, Andrés
- Abstract
Resumen del trabajo presentado a la conferencia Graphene, celebrada en Grenoble (Francia) del 26 al 29 de octubre de 2021.
- Published
- 2021
205. Distorsion and electronic structures in twodimensional magnetic ilmenenes systems
- Author
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Aguilera-del-Toro, R. H., Arruabarrena, Mikel, Leonardo, Aritz, and Ayuela, Andrés
- Abstract
Resumen del trabajo presentado al ImagineNano, celebrado en Bilbao (España) del 23 al 24 de noviembre de 2021.
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- 2021
206. Interactions between reduced graphene oxide with monomers of (calcium) silicate hydrates: a first-principles study
- Author
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Jorge S. Dolado, Mohammadreza Izadifar, Peter Thissen, Andrés Ayuela, Karlsruhe Institute of Technology, German Research Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Universidad del País Vasco, Eusko Jaurlaritza, and Eurorregión Aquitania Euskadi
- Subjects
Life sciences ,biology ,Composite material ,Materials science ,General Chemical Engineering ,Oxide ,02 engineering and technology ,010402 general chemistry ,DFT calculations ,01 natural sciences ,reduced graphene oxide ,Article ,law.invention ,Nanomaterials ,chemistry.chemical_compound ,law ,ddc:570 ,Interlayer microstructure ,General Materials Science ,Graphite ,calcium silicate hydrate ,Reduced graphene oxide ,Calcium silicate hydrate ,QD1-999 ,nanomaterials ,Nanocomposite ,interlayer microstructure ,Graphene ,021001 nanoscience & nanotechnology ,composite material ,Silicate ,0104 chemical sciences ,Chemistry ,chemistry ,Chemical engineering ,Calcium silicate ,0210 nano-technology - Abstract
Graphene is a two-dimensional material, with exceptional mechanical, electrical, and thermal properties. Graphene-based materials are, therefore, excellent candidates for use in nanocomposites. We investigated reduced graphene oxide (rGO), which is produced easily by oxidizing and exfoliating graphite in calcium silicate hydrate (CSHs) composites, for use in cementitious materials. The density functional theory was used to study the binding of moieties, on the rGO surface (e.g., hydroxyl-OH/rGO and epoxide/rGO groups), to CSH units, such as silicate tetrahedra, calcium ions, and OH groups. The simulations indicate complex interactions between OH/rGO and silicate tetrahedra, involving condensation reactions and selective repairing of the rGO lattice to reform pristine graphene. The condensation reactions even occurred in the presence of calcium ions and hydroxyl groups. In contrast, rGO/CSH interactions remained close to the initial structural models of the epoxy rGO surface. The simulations indicate that specific CSHs, containing rGO with different interfacial topologies, can be manufactured using coatings of either epoxide or hydroxyl groups. The results fill a knowledge gap, by establishing a connection between the chemical compositions of CSH units and rGO, and confirm that a wet chemical method can be used to produce pristine graphene by removing hydroxyl defects from rGO., This research was funded by Karlsruhe House of Young Science (KHYS), and Deutsche Forschungsgemeinschaft (DFG). A.A. and J.S.D. also acknowledge funding from the Spanish Ministry of Science and Innovation (grants nos. PID2019-105488GB-I00 and PCI2019-103657 grant), the Gobierno Vasco UPV/EHU (project no. IT-1246-19), and the European Commission NRG-STORAGE project (project no. GA 870114). Research conducted in the scope of the Transnational Common Laboratory (LTC) Aquitaine-Euskadi Network in Green Concrete and Cement-based Materials.
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- 2021
207. Metallic carbon nanotube quantum dots with broken symmetries as a platform for tunable terahertz detection
- Author
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M. Marganska, Daniele Passerone, Gilles Buchs, Oliver Gröning, Andrés Ayuela, Carlo A. Pignedoli, J. W. González, Dario Bercioux, Kristjan Eimre, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), European Commission, and Swiss National Supercomputing Centre
- Subjects
Nanotube ,Terahertz gap ,Materials science ,Terahertz radiation ,Physics::Instrumentation and Detectors ,Scanning tunneling spectroscopy ,FOS: Physical sciences ,Physics::Optics ,General Physics and Astronomy ,02 engineering and technology ,Carbon nanotube ,01 natural sciences ,law.invention ,law ,Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ,0103 physical sciences ,Quantum tunnelling ,010302 applied physics ,Condensed Matter - Mesoscale and Nanoscale Physics ,business.industry ,Condensed Matter::Mesoscopic Systems and Quantum Hall Effect ,021001 nanoscience & nanotechnology ,3. Good health ,Carbon nanotube quantum dot ,Quantum dot ,Optoelectronics ,0210 nano-technology ,business - Abstract
arXiv:2006.10837v2, Generating and detecting radiation in the technologically relevant range of the so-called terahertz gap (0.1–10 THz) is challenging because of a lack of efficient sources and detectors. Quantum dots in carbon nanotubes have shown great potential to build sensitive terahertz detectors, usually based on photon-assisted tunneling. A recently reported mechanism combining resonant quantum dot transitions and tunneling barrier asymmetries results in a narrow linewidth photocurrent response with a large signal-to-noise ratio under weak THz radiation. That device was sensitive to one frequency, corresponding to transitions between equidistant quantized states. In this work we show, using numerical simulations together with scanning tunneling spectroscopy studies of a defect-induced metallic zigzag single-walled carbon nanotube quantum dot, that breaking simultaneously various symmetries in metallic nanotube quantum dots of arbitrary chirality strongly relaxes the selection rules in the electric dipole approximation and removes energy degeneracies. This leads to a richer set of allowed optical transitions spanning frequencies from 1 THz to several tens of THz, for a ∼10 nm quantum dot. Based on these findings, we propose a terahertz detector device based on a metallic single-walled carbon nanotube quantum dot defined by artificial defects. Depending on its length and contacts transparency, the operating regimes range from a high-resolution gate-tunable terahertz sensor to a broadband terahertz detector. Our calculations indicate that the device is largely unaffected by temperatures up to 100 K, making carbon nanotube quantum dots with broken symmetries a promising platform to design tunable terahertz detectors that could operate at liquid nitrogen temperatures., This work has been partially supported by the Spanish Ministry of Science and Innovation with PID2019-105488GB-I00 and PCI2019-103657 (A.A.) and FIS2017-82804-P (D.B.). The work of D.B. is partially supported by by the Transnational Common Laboratory QuantumChemPhys. The Basque Government supported this work through Project No. IT-1246-19 (A.A.). J.W.G. acknowledges financial support from FONDECYT: Iniciación en Investigación 2019 Grant N. 11190934 (Chile). A.A. acknowledge financial support by the European Commission from the NRG-STORAGE project (GA 870114). K.E., C.P. and D.P. acknowledge the Swiss National Science Foundation under Grant No. 200020_182015 and No. 200021_172527, and the NCCR MARVEL funded by the Swiss National Science Foundation (51NF40-182892). The Swiss National Supercomputing Centre (CSCS) under project ID s746 and s904 is acknowledged for computational resources.
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- 2021
208. On the quest for intrinsic magnetic semiconductor layers: two-dimensional transition-metal oxides
- Author
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Ayuela, Andrés and Aguilera-Granja, Faustino
- Abstract
Resumen del trabajo presentado a la conferencia Graphene, celebrada en Grenoble (Francia) del 26 al 29 de octubre de 2021.
- Published
- 2021
209. Tratamiento de granos de arroz entero mediante altas presiones hidrostáticas para la mejora de las propiedades funcionales y nutricionales de las harinas
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Ayuela Burón, María Beatriz, Caballero Calvo, Pedro Antonio, Gutiérrez de la Fuente, Ángel Luis, Ayuela Burón, María Beatriz, Caballero Calvo, Pedro Antonio, and Gutiérrez de la Fuente, Ángel Luis
- Abstract
En los últimos años, la demanda de productos libres de gluten ha aumentado como consecuencia de los trastornos desencadenados por esta proteína, lo que ha impulsado la realización de numerosas investigaciones relacionadas con el estudio y desarrollo de productos sin gluten orientadas a solucionar las deficiencias nutritivas y funcionales de esta categoría de alimentos. El presente trabajo se ha centrado en evaluar el impacto del tratamiento de altas presiones hidrostáticas (APH) sobre granos de arroz entero estudiando factores como el tiempo de tratamiento y/o la realización de un pretratamiento previo de los granos mediante remojo. Para llevar a cabo esta evaluación, se aplicaron tratamientos a 600 MPa de presión a diferentes tiempos (5, 15 y 30 minutos). El remojo previo de los granos, en el caso de aplicarse, se realizó a 40ºC durante 4 horas. Las harinas de arroz resultantes se caracterizaron desde un punto de vista tecno-funcional y nutricional evaluando la influencia de los diferentes factores estudiados sobre sus propiedades físicas, funcionales y bioactivas. En cuanto a la evaluación del efecto del tratamiento sobre las propiedades físicas de las harinas como el color y la granulometría, se produjeron pequeñas diferencias entre la muestra control nativa y la muestra con un tratamiento más intenso. Entre las propiedades funcionales, la capacidad de absorción de agua (WAC) destacó positivamente al aplicar tratamientos intensos de APH de 30 minutos y con remojo previo. Sin embargo, en las propiedades emulsionantes, las muestras tratadas con APH durante 5 minutos y sin remojo mostraron una mayor capacidad y estabilidad que el resto de las muestras tratadas. También estas mismas muestras fueron las que destacaron en las propiedades reológicas obteniendo geles con mayor resistencia a la deformación. Respecto a la bioactividad de las harinas, la actividad antioxidante y el contenido de fenoles totales aumentó conforme se incrementó el tiempo de tratamiento con APH, Departamento de Ingeniería Agrícola y Forestal, Máster en Ingeniería Agronómica
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- 2021
210. Interactions between Reduced Graphene Oxide with Monomers of (Calcium) Silicate Hydrates: A First-Principles Study
- Author
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Física de materiales, Materialen fisika, Izadifar, Mohammadreza, Sánchez Dolado, Jorge, Thissen, Peter, Ayuela Fernández, Andrés, Física de materiales, Materialen fisika, Izadifar, Mohammadreza, Sánchez Dolado, Jorge, Thissen, Peter, and Ayuela Fernández, Andrés
- Abstract
Graphene is a two-dimensional material, with exceptional mechanical, electrical, and thermal properties. Graphene-based materials are, therefore, excellent candidates for use in nanocomposites. We investigated reduced graphene oxide (rGO), which is produced easily by oxidizing and exfoliating graphite in calcium silicate hydrate (CSHs) composites, for use in cementitious materials. The density functional theory was used to study the binding of moieties, on the rGO surface (e.g., hydroxyl-OH/rGO and epoxide/rGO groups), to CSH units, such as silicate tetrahedra, calcium ions, and OH groups. The simulations indicate complex interactions between OH/rGO and silicate tetrahedra, involving condensation reactions and selective repairing of the rGO lattice to reform pristine graphene. The condensation reactions even occurred in the presence of calcium ions and hydroxyl groups. In contrast, rGO/CSH interactions remained close to the initial structural models of the epoxy rGO surface. The simulations indicate that specific CSHs, containing rGO with different interfacial topologies, can be manufactured using coatings of either epoxide or hydroxyl groups. The results fill a knowledge gap, by establishing a connection between the chemical compositions of CSH units and rGO, and confirm that a wet chemical method can be used to produce pristine graphene by removing hydroxyl defects from rGO.
- Published
- 2021
211. Normal and Anomalous Self-Healing Mechanism of Crystalline Calcium Silicate Hydrates
- Author
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Física, Fisika, Dupuis, Romain, Moon, Juhyuk, Jeong, Yeonung, Taylor, Rae, Kang, Sung Hoon, Manzano Moro, Hegoi, Ayuela Fernández, Andrés, Monteiro, Paulo J. M., Sánchez Dolado, Jorge, Física, Fisika, Dupuis, Romain, Moon, Juhyuk, Jeong, Yeonung, Taylor, Rae, Kang, Sung Hoon, Manzano Moro, Hegoi, Ayuela Fernández, Andrés, Monteiro, Paulo J. M., and Sánchez Dolado, Jorge
- Abstract
The origin of different stability of crystalline calcium silicate hydrates was investigated. The tobermorite crystal has been used as an analog of cement hydrate that is being mostly manufactured material on earth. Normal tobermorite is thermally unstable and transforms to amorphous at low pressure. Meanwhile, anomalous tobermorite with high Al content does not significantly transform under high pressure or high temperature. Conducted X-ray absorption spectroscopy explains the weak stability of normal tobermorite which was originally hypothesized by the role of zeolitic Ca ions in the cavities of silicate chains. Atomic simulations reproduced the experimentally observed trend of pressure behavior once the ideal structures were modified to account for the Al content as well as the chain defects. The simulations also suggested that the stability of tobermorite under stress could be rationalized as a self-healing mechanism in which the structural instabilities were accommodated by a global sliding of the CaO layer.
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- 2021
212. Designed metallo-tags for probing natural systems
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López Cortajarena, Aitziber, Hierro Ayuela, Aitor, Bioquímica y biología molecular, Biokimika eta biologia molekularra, Maio, Lucía, López Cortajarena, Aitziber, Hierro Ayuela, Aitor, Bioquímica y biología molecular, Biokimika eta biologia molekularra, and Maio, Lucía
- Abstract
124 p., El objetivo de este trabajo es el diseño y desarrollo de nuevas etiquetas mediadas por proteínas para estudiar sistemas biológicamente relevantes. Específicamente, el proyecto se centra en el diseño de andamios moleculares basados en proteínas que promuevan la estabilización de nanoclusters metálicos (NCs) luminiscentes y puntos cuánticos (QDs) como nuevas etiquetas duales para microscopía de fluorescencia y electrónica. Este enfoque aprovecha tanto las propiedades luminiscentes como la densidad electrónica de los nanomateriales estabilizados con proteínas para su aplicación como etiqueta dual para técnicas de imagen correlativa. Finalmente, las nuevas etiquetas duales desarrolladas en este trabajo se utilizan para reproducir el sistema de trasporte retrógrado de proteínas in vitro como prueba de concepto para futuros estúdios biológicos.
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- 2021
213. Out-of-plane magnetic anisotropy in bulk ilmenite CoTiO3
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Arruabarrena, Mikel, Leonardo, Aritz, Rodriguez-Vega, M., Fiete, Gregory A., Ayuela, Andrés, Arruabarrena, Mikel, Leonardo, Aritz, Rodriguez-Vega, M., Fiete, Gregory A., and Ayuela, Andrés
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- 2021
214. On the quest for rhombohedral stacking in graphene
- Author
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Pelc, Marta, Guerrero-Avilés, Raúl, Geisenhof, Fabian R., Weitz, R. Thomas, Ayuela, Andrés, Pelc, Marta, Guerrero-Avilés, Raúl, Geisenhof, Fabian R., Weitz, R. Thomas, and Ayuela, Andrés
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- 2021
215. Modification of the optical properties of molecular chains upon coupling to adatoms
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Karlsruhe Institute of Technology, German Research Foundation, Volkswagen Foundation, National Science Centre (Poland), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Universidad del País Vasco, Eusko Jaurlaritza, European Commission, Fundação para a Ciência e a Tecnologia (Portugal), European Research Council, Müller, Marvin M., Kosik, Miriam, Pelc, Marta, Bryant, Garnett W., Ayuela, Andrés, Rockstuhl, Carsten, Słowik, Karolina, Karlsruhe Institute of Technology, German Research Foundation, Volkswagen Foundation, National Science Centre (Poland), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Universidad del País Vasco, Eusko Jaurlaritza, European Commission, Fundação para a Ciência e a Tecnologia (Portugal), European Research Council, Müller, Marvin M., Kosik, Miriam, Pelc, Marta, Bryant, Garnett W., Ayuela, Andrés, Rockstuhl, Carsten, and Słowik, Karolina
- Abstract
Adsorbed atoms (adatoms) coupled to the matrix of solid state host materials as impurities can significantly modify their properties. Especially in low-dimensional materials, such as one-dimensional organic polymer chains or quasi-one-dimensional graphene nanoribbons, intriguing manipulation of the optical properties, such as the absorption cross section, is possible. The most widely used approach to couple quantum emitters to optical antennas is based on the Purcell effect. This formalism, however, does not comprise charge transfer from the emitter to the antenna, but only spontaneous emission of the quantum emitter into the tailored photonic environment, that is evoked by the antenna. To capture such effects, we present a tight-binding formalism to couple an adatom to a finite Su-Schrieffer-Heeger chain, where the former is treated as a two-level system and the latter acts as an optical antenna. We systematically analyze how the coupling strength and the position of the adatom influence the optical properties of the molecular chains in the model. We take into account charge transfer from the adatom to the chain and vice versa via an intersystem hopping parameter, and also include Coulomb interaction within the chain as well as between the adatom and the chain. We show that coupling the adatom to one of the bulk atoms of the linear chain results in a substantial change in optical properties already for comparatively small coupling strengths. We also find that the position of the adatom crucially determines if and how the optical properties of the chains are altered. Therefore, we identify this adatom-chain hybrid system as a tunable platform for light-matter interaction at the nanoscale.
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- 2021
216. Interactions between reduced graphene oxide with monomers of (calcium) silicate hydrates: a first-principles study
- Author
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Karlsruhe Institute of Technology, German Research Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Universidad del País Vasco, Eusko Jaurlaritza, Eurorregión Aquitania Euskadi, Izadifar, Mohammadreza, Dolado, Jorge S., Thissen, Peter, Ayuela, Andrés, Karlsruhe Institute of Technology, German Research Foundation, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Universidad del País Vasco, Eusko Jaurlaritza, Eurorregión Aquitania Euskadi, Izadifar, Mohammadreza, Dolado, Jorge S., Thissen, Peter, and Ayuela, Andrés
- Abstract
Graphene is a two-dimensional material, with exceptional mechanical, electrical, and thermal properties. Graphene-based materials are, therefore, excellent candidates for use in nanocomposites. We investigated reduced graphene oxide (rGO), which is produced easily by oxidizing and exfoliating graphite in calcium silicate hydrate (CSHs) composites, for use in cementitious materials. The density functional theory was used to study the binding of moieties, on the rGO surface (e.g., hydroxyl-OH/rGO and epoxide/rGO groups), to CSH units, such as silicate tetrahedra, calcium ions, and OH groups. The simulations indicate complex interactions between OH/rGO and silicate tetrahedra, involving condensation reactions and selective repairing of the rGO lattice to reform pristine graphene. The condensation reactions even occurred in the presence of calcium ions and hydroxyl groups. In contrast, rGO/CSH interactions remained close to the initial structural models of the epoxy rGO surface. The simulations indicate that specific CSHs, containing rGO with different interfacial topologies, can be manufactured using coatings of either epoxide or hydroxyl groups. The results fill a knowledge gap, by establishing a connection between the chemical compositions of CSH units and rGO, and confirm that a wet chemical method can be used to produce pristine graphene by removing hydroxyl defects from rGO.
- Published
- 2021
217. From single-particle-like to interaction-mediated plasmonic resonances in graphene nanoantennas
- Author
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Karlsruhe Institute of Technology, German Research Foundation, Volkswagen Foundation, Polish National Agency for Academic Exchange, Donostia International Physics Center, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), European Commission, Müller, Marvin M., Kosik, Miriam, Pelc, Marta, Bryant, Garnett W., Ayuela, Andrés, Rockstuhl, Carsten, Słowik, Karolina, Karlsruhe Institute of Technology, German Research Foundation, Volkswagen Foundation, Polish National Agency for Academic Exchange, Donostia International Physics Center, Agencia Estatal de Investigación (España), Ministerio de Ciencia, Innovación y Universidades (España), European Commission, Müller, Marvin M., Kosik, Miriam, Pelc, Marta, Bryant, Garnett W., Ayuela, Andrés, Rockstuhl, Carsten, and Słowik, Karolina
- Abstract
Plasmonic nanostructures attract tremendous attention as they confine electromagnetic fields well below the diffraction limit while simultaneously sustaining extreme local field enhancements. To fully exploit these properties, the identification and classification of resonances in such nanostructures is crucial. Recently, a novel figure of merit for resonance classification has been proposed [Müller et al., J. Phys. Chem. C 124, 24331–24343 (2020)] and its applicability was demonstrated mostly to toy model systems. This novel measure, the energy-based plasmonicity index (EPI), characterizes the nature of resonances in molecular nanostructures. The EPI distinguishes between either a single-particle-like or a plasmonic nature of resonances based on the energy space coherence dynamics of the excitation. To advance the further development of this newly established measure, we present here its exemplary application to characterize the resonances of graphene nanoantennas. In particular, we focus on resonances in a doped nanoantenna. The structure is of interest, as a consideration of the electron dynamics in real space might suggest a plasmonic nature of selected resonances in the low doping limit but our analysis reveals the opposite. We find that in the undoped and moderately doped nanoantenna, the EPI classifies all emerging resonances as predominantly single-particle-like, and only after doping the structure heavily, the EPI observes plasmonic response.
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- 2021
218. Metallic carbon nanotube quantum dots with broken symmetries as a platform for tunable terahertz detection
- Author
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Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), European Commission, Swiss National Supercomputing Centre, Buchs, G., Marganska, M., González, J. W., Eimre, K., Pignedoli, C. A., Passerone, D., Ayuela, Andrés, Gröning, O., Bercioux, Dario, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Eusko Jaurlaritza, Fondo Nacional de Desarrollo Científico y Tecnológico (Chile), European Commission, Swiss National Supercomputing Centre, Buchs, G., Marganska, M., González, J. W., Eimre, K., Pignedoli, C. A., Passerone, D., Ayuela, Andrés, Gröning, O., and Bercioux, Dario
- Abstract
Generating and detecting radiation in the technologically relevant range of the so-called terahertz gap (0.1–10 THz) is challenging because of a lack of efficient sources and detectors. Quantum dots in carbon nanotubes have shown great potential to build sensitive terahertz detectors, usually based on photon-assisted tunneling. A recently reported mechanism combining resonant quantum dot transitions and tunneling barrier asymmetries results in a narrow linewidth photocurrent response with a large signal-to-noise ratio under weak THz radiation. That device was sensitive to one frequency, corresponding to transitions between equidistant quantized states. In this work we show, using numerical simulations together with scanning tunneling spectroscopy studies of a defect-induced metallic zigzag single-walled carbon nanotube quantum dot, that breaking simultaneously various symmetries in metallic nanotube quantum dots of arbitrary chirality strongly relaxes the selection rules in the electric dipole approximation and removes energy degeneracies. This leads to a richer set of allowed optical transitions spanning frequencies from 1 THz to several tens of THz, for a ∼10 nm quantum dot. Based on these findings, we propose a terahertz detector device based on a metallic single-walled carbon nanotube quantum dot defined by artificial defects. Depending on its length and contacts transparency, the operating regimes range from a high-resolution gate-tunable terahertz sensor to a broadband terahertz detector. Our calculations indicate that the device is largely unaffected by temperatures up to 100 K, making carbon nanotube quantum dots with broken symmetries a promising platform to design tunable terahertz detectors that could operate at liquid nitrogen temperatures.
- Published
- 2021
219. Biological Profiling of Semisynthetic C19-Functionalized Ferruginol and Sugiol Analogues
- Author
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Ministerio de Ciencia, Innovación y Universidades (España), González-Cardenete, Miguel A., Rivas, Fátima, Bassett, Rachel, Stadler, Marco, Hering, Steffen, Padrón, José M., Zaragozá, Ramón José, Dea-Ayuela, M. Auxiliadora, Ministerio de Ciencia, Innovación y Universidades (España), González-Cardenete, Miguel A., Rivas, Fátima, Bassett, Rachel, Stadler, Marco, Hering, Steffen, Padrón, José M., Zaragozá, Ramón José, and Dea-Ayuela, M. Auxiliadora
- Abstract
The abietane-type diterpenoids are significant bioactive compounds exhibiting a varied range of pharmacological properties. In this study, the first synthesis and biological investigation of the new abietane-diterpenoid (+)-4-epi-liquiditerpenoid acid (8a) together with several of its analogs are reported. The compounds were generated from the readily available methyl callitrisate (7), which was obtained from callitrisic acid present in Moroccan Sandarac resin. A biological evaluation was conducted to determine the effects of the different functional groups present in these molecules, providing basic structure¿activity relationship (SAR) elements. In particular, the ferruginol and sugiol analogs compounds 10¿16 were characterized by the presence of a phenol moiety, higher oxidization states at C-7 (ketone), and the hydroxyl, methyl ester or free carboxylic acid at C19. The biological profiling of these compounds was investigated against a panel of six human solid tumor cell lines (HBL-100, A549, HeLa, T-47D, SW1573 and WiDr), four parasitic Leishmania species (L. donovani, L. infantum, L. guyanensis and L. amazonensis) and two malaria strains (3D7 and K1). Furthermore, the capacity of the compounds to modulate gamma-aminobutyric acid type A (GABAA) receptors (alfa1beta2gamma2s) is also described. A comparison of the biological results with those previously reported of the corresponding C18-functionalized analogs was conducted.
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- 2021
220. Normal and anomalous self-healing mechanism of crystalline calcium silicate hydrates
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Ministry of Science, ICT and Future Planning (South Korea), Eusko Jaurlaritza, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Seoul National University, Department of Energy (US), National Science Foundation (US), Dupuis, Romain, Moon, Juhyuk, Jeong, Yeonung, Taylor, Rae, Kang, Sung-Hoon, Manzano, Hegoi, Ayuela, Andrés, Monteiro, Paulo, Dolado, Jorge S., Ministry of Science, ICT and Future Planning (South Korea), Eusko Jaurlaritza, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Seoul National University, Department of Energy (US), National Science Foundation (US), Dupuis, Romain, Moon, Juhyuk, Jeong, Yeonung, Taylor, Rae, Kang, Sung-Hoon, Manzano, Hegoi, Ayuela, Andrés, Monteiro, Paulo, and Dolado, Jorge S.
- Abstract
The origin of different stability of crystalline calcium silicate hydrates was investigated. The tobermorite crystal has been used as an analog of cement hydrate that is being mostly manufactured material on earth. Normal tobermorite is thermally unstable and transforms to amorphous at low pressure. Meanwhile, anomalous tobermorite with high Al content does not significantly transform under high pressure or high temperature. Conducted X-ray absorption spectroscopy explains the weak stability of normal tobermorite which was originally hypothesized by the role of zeolitic Ca ions in the cavities of silicate chains. Atomic simulations reproduced the experimentally observed trend of pressure behavior once the ideal structures were modified to account for the Al content as well as the chain defects. The simulations also suggested that the stability of tobermorite under stress could be rationalized as a self-healing mechanism in which the structural instabilities were accommodated by a global sliding of the CaO layer.
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- 2021
221. Belite cements and their activation
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Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Eusko Jaurlaritza, Universidad del País Vasco, Cuesta, Ana, Ayuela, Andrés, Aranda, Miguel A., Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Eusko Jaurlaritza, Universidad del País Vasco, Cuesta, Ana, Ayuela, Andrés, and Aranda, Miguel A.
- Abstract
Belite cements, BCs, containing mainly belite, alite and calcium aluminates, are currently used as low heat cements. These binders produce high amounts of C–S–H gel and have very good durability properties which are reviewed. Additional advantages include: (i) lower limestone demand, with lower associated CO2 emissions; (ii) lower energy demand; (iii) lower kiln operating temperature, which means lowering CO2 and NOx emissions from fuel burning; and (iv) lower temperature increase at early hydration age. However, early-age strength developments are not competitive with those of Portland cements. Hence, to improve their early-age strength developments is a research priority known as activation. This enhancement can be attained by three compatible approaches: (i) chemical, (ii) physical; and (iii) admixture activations. The current research status for BCs activation is reviewed including: cost-effective element substitutions to stabilize high-temperature forms; fast cooling, milling and mild temperature hydration as physical activation; and the use of C–S–H seeds as admixture activation. After discussion of the resulting microstructures, a research outlook is exercised.
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- 2021
222. Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents
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Química Orgánica e Inorgánica, Kimika Organikoa eta Ez-Organikoa, Barbolla Cuadrado, Iratxe, Hernández-Suarez, Leidi, Quevedo-Tumailli, Viviana, Nocedo Mena, Deyani, Arrasate Gil, Sonia, Dea-Ayuela, María Auxiliadora, González Díaz, Humberto, Sotomayor Anduiza, María Nuria, Química Orgánica e Inorgánica, Kimika Organikoa eta Ez-Organikoa, Barbolla Cuadrado, Iratxe, Hernández-Suarez, Leidi, Quevedo-Tumailli, Viviana, Nocedo Mena, Deyani, Arrasate Gil, Sonia, Dea-Ayuela, María Auxiliadora, González Díaz, Humberto, and Sotomayor Anduiza, María Nuria
- Abstract
The development of new molecules for the treatment of leishmaniasis is, a neglected parasitic disease, is urgent as current anti-leishmanial therapeutics are hampered by drug toxicity and resistance. The pyrrolo[ 1,2-b]isoquinoline core was selected as starting point, and palladium-catalyzed Heck-initiated cascade reactions were developed for the synthesis of a series of C-10 substituted derivatives. Their in vitro leishmanicidal activity against visceral (L. donovani) and cutaneous (L. amazonensis) leishmaniasis was evaluated. The best activity was found, in general, for the 10-arylmethyl substituted pyrroloisoquinolines. In particular, 2ad (IC50 ¼ 3.30 mM, SI > 77.01) and 2bb (IC50 ¼ 3.93 mM, SI > 58.77) were approximately 10-fold more potent and selective than the drug of reference (miltefosine), against L. amazonensis on in vitro promastigote assays, while 2ae was the more active compound in the in vitro amastigote assays (IC50 ¼ 33.59 mM, SI > 8.93). Notably, almost all compounds showed low cytotoxicity, CC50 > 100 mg/mL in J774 cells, highest tested dose. In addition, we have developed the first Perturbation Theory Machine Learning (PTML) algorithm able to predict simultaneously multiple biological activity parameters (IC50, Ki, etc.) vs. any Leishmania species and target protein, with high values of specificity (>98%) and sensitivity (>90%) in both training and validation series. Therefore, this model may be useful to reduce time and assay costs (material and human resources) in the drug discovery process
- Published
- 2021
223. Potential Risk of Three Zoonotic Protozoa (Cryptosporidium spp., Giardia duodenalis, and Toxoplasma gondii) Transmission from Fish Consumption
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Naima M. Marco-Hirs, Jesús Cardells, Silvia Puigcercós, M. Auxiliadora Dea-Ayuela, Jordi López-Ramon, Victor Lizana, Samantha Moratal, Producción Científica UCH 2020, UCH. Departamento de Producción y Sanidad Animal, Salud Pública Veterinaria y Ciencia y Tecnología de los Alimentos, and UCH. Departamento de Farmacia
- Subjects
Zoonoses ,Health (social science) ,Protozoos ,zoonotic protozoa ,030231 tropical medicine ,Giardia lamblia ,Giardia duodenalis ,Toxoplasma gondii ,Zoology ,Review ,Plant Science ,medicine.disease_cause ,lcsh:Chemical technology ,Health Professions (miscellaneous) ,Microbiology ,Cryptosporidium spp ,030308 mycology & parasitology ,03 medical and health sciences ,0302 clinical medicine ,Peces - Parásitos ,Fishborne parasites ,parasitic diseases ,medicine ,Fishes - Parasites ,lcsh:TP1-1185 ,Shellfish ,0303 health sciences ,biology ,Transmission (medicine) ,Zoonosis ,Aquatic animal ,Cryptosporidium ,biology.organism_classification ,medicine.disease ,Protozoa ,Zoonotic protozoa ,fishborne parasites ,Food Science - Abstract
Este artículo se encuentra disponible en la siguiente URL: https://www.mdpi.com/2304-8158/9/12/1913 Este artículo pertenece al número especial "Reviews on food microbiology, foodborne pathogens, and probiotics". In recent decades, worldwide fish consumption has increased notably worldwide. Despite the health benefits of fish consumption, it also can suppose a risk because of fishborne diseases, including parasitic infections. Global changes are leading to the emergence of parasites in new locations and to the appearance of new sources of transmission. That is the case of the zoonotic protozoa Cryptosporidium spp., Giardia duodenalis, and Toxoplasma gondii; all of them reach aquatic environments and have been found in shellfish. Similarly, these protozoa can be present in other aquatic animals, such as fish. The present review gives an overview on these three zoonotic protozoa in order to understand their potential presence in fish and to comprehensively revise all the evidences of fish as a new potential source of Cryptosporidium spp., Giardia duodenalis, and Toxoplasma gondii transmission. All of them have been found in both marine and freshwater fishes. Until now, it has not been possible to demonstrate that fish are natural hosts for these protozoa; otherwise, they would merely act as mechanical transporters. Nevertheless, even if fish only accumulate and transport these protozoa, they could be a “new” source of infection for people.
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- 2020
224. Topical Delivery of Amphotericin B Utilizing Transferosomes for the Treatment of Cutaneous Leishmaniasis
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María Auxiliadora Dea-Ayuela, Luiz Felipe Domingues Passero, Larry Sttats, Márcia Dalastra Laurenti, Dolores R. Serrano, Francisco Bolás-Fernández, Jéssica Adriana Jesus, Aikaterini Lalatsa, Raquel Fernández-García, and Maria Paloma Ballesteros
- Subjects
Drug ,biology ,Chemistry ,media_common.quotation_subject ,Leishmaniasis ,Pharmacology ,medicine.disease ,Leishmania ,biology.organism_classification ,Parasite load ,Transferosomes ,Cutaneous leishmaniasis ,In vivo ,Amphotericin B ,medicine ,medicine.drug ,media_common - Abstract
Amphotericin B (AmB) is a high-molecular weight poorly soluble drug with a high efficacy in the treatment of infectious caused by Leishmania spp. parasites, which possesses a very low topical bioavailability. Transferosomes (TFs) are ultradeformable vesicles that consist of drugs lipids, an edge activator, and a low amount of ethanol (
- Published
- 2020
225. Narrative review of ultrasound in the management of the critically ill patient with SARS-CoV-2 infection (COVID-19): clinical applications in intensive care medicine
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V. Fraile Gutiérrez, D. Pérez Torres, A. Ochagavía Calvo, L. Zapata, A Rodríguez Yakushev, and J.M. Ayuela Azcárate
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medicine.medical_specialty ,ARDS ,Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ,Physical examination ,Review ,law.invention ,Ultrasonografía ,03 medical and health sciences ,0302 clinical medicine ,law ,Intensive care ,Paciente crítico ,Ultrasound ,medicine ,Intensive care medicine ,Critically ill ,medicine.diagnostic_test ,business.industry ,COVID-19 ,Ecografía ,030208 emergency & critical care medicine ,medicine.disease ,Intensive care unit ,Coronavirus ,Pneumonia ,030228 respiratory system ,Echocardiography ,Shock (circulatory) ,Echography ,medicine.symptom ,Ecocardiografía ,business - Abstract
The clinical picture of SARS-CoV-2 infection (COVID-19) is characterized in its more severe form, by an acute respiratory failure which can worsen to pneumonia and acute respiratory distress syndrome (ARDS), and get complicated with thrombotic events and heart dysfunction. Therefore, admission to the Intensive Care Unit (ICU) is common. Ultrasound, which has become an everyday tool in the ICU, can be very useful during COVID-19 pandemic, since it provides the clinician with information which can be interpreted and integrated within a global assessment during the physical examination. A description of some of the potential applications of ultrasound is depicted in this document, in order to supply the physicians taking care of these patients with a adapted guide to the intensive care setting. Some of its applications since ICU admission include verification of the correct position of the endotracheal tube, contribution to safe cannulation of lines, and identification of complications and thrombotic events. Furthermore, pleural and lung ultrasound can be an alternative diagnostic test to assess the degree of involvement of the lung parenchyma by means of the evaluation of specific ultrasound patterns, identification of pleural effusions and barotrauma. Echocardiography provides information of heart involvement, detects cor pulmonale and shock states.
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- 2020
- Full Text
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226. T183 A comparison study of the TRAB immunoassay between Snibe MAGLUMI and Roche Cobas
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S. Cuesta De Juan, J. Garcia Ayuela, R.A. Torrado Carrion, A. Mata Fernadez, N. Soriano Balcazar, M. Perez Alonso, M. Santos-Ruiz Rodriguez-Arias, and A. Siguin Gomez
- Subjects
Biochemistry (medical) ,Clinical Biochemistry ,General Medicine ,Biochemistry - Published
- 2022
227. M306 Evaluation of 25-OH vitamin D on SNIBE MAGLUMI® 1000 immunoassay analyzer
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S. Cuesta De Juan, J. Garcia Ayuela, R.A. Torrado Carrion, A. Mata Fernandez, M. Perez Alonso, M. Santos-Ruiz Rodriguez-Arias, N. Soriano Balcazar, and C. Martinez Sanchez
- Subjects
Biochemistry (medical) ,Clinical Biochemistry ,General Medicine ,Biochemistry - Published
- 2022
228. HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
- Author
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Dea-Ayuela, María Auxiliadora, Pérez-Castillo, Yunierkis, Meneses-Marcel, Alfredo, Ubeira, Florencio M., Bolas-Fernández, Francisco, Chou, Kuo-Chen, and González-Díaz, Humberto
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- 2008
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- View/download PDF
229. Cardiac function after CPAP therapy in patients with chronic heart failure and sleep apnea: A multicenter study
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Egea, Carlos J., Aizpuru, Felipe, Pinto, Jose A., Ayuela, Jose M., Ballester, Eugeni, Zamarrón, Carlos, Sojo, Agustín, Montserrat, Josep M., Barbe, Ferran, and Cortés, Julia
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- 2008
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230. QSAR for RNases and theoretic–experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein
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González-Díaz, Humberto, Dea-Ayuela, María A., Pérez-Montoto, Lázaro G., Prado-Prado, Francisco J., Agüero-Chapín, Guillermín, Bolas-Fernández, Francisco, Vazquez-Padrón, Roberto I., and Ubeira, Florencio M.
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- 2010
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231. Synthetic oxoisoaporphine alkaloids: in vitro, in vivo and in silico assessment of antileishmanial activities.
- Author
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Eduardo Sobarzo-Sánchez, Pablo Bilbao-Ramos, Maria Dea-Ayuela, Humberto González-Díaz, Matilde Yañez, Eugenio Uriarte, Lourdes Santana, Victoria Martínez-Sernández, Francisco Bolás-Fernández, and Florencio M Ubeira
- Subjects
Medicine ,Science - Abstract
Leishmaniasis is a growing health problem worldwide. As there are certain drawbacks with the drugs currently used to treat human leishmaniasis and resistance to these drugs is emerging, there is a need to develop novel antileishmanial compounds, among which isoquinoline alkaloids are promising candidates. In this study, 18 novel oxoisoaporphine derivatives were synthesized and their possible antileishmanial activity was evaluated. The in vitro activity of these derivatives against Leishmania amazonensis axenic amastigotes was first evaluated, and the selected compounds were then tested in an inhibition assay with promastigotes of L. infantum, L. braziliensis, L. amazonensis and L. guyanensis, and with intracellular amastigotes of L. infantum and L. amazonensis. Finally, the most active compounds, OXO 1 (2,3-dihydro-7H-dibenzo[de,h]quinolin-7-one) and OXO 13 (2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin-7-one), were tested in BALB/c mice infected with L. infantum. Treatment of mice at a dose of 10 mg/kg with OXO 1 yielded significant reductions (p
- Published
- 2013
- Full Text
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232. Octagonal Defects at Carbon Nanotube Junctions
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W. Jaskólski, M. Pelc, Leonor Chico, and A. Ayuela
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Technology ,Medicine ,Science - Abstract
We investigate knee-shaped junctions of semiconductor zigzag carbon nanotubes. Two dissimilar octagons appear at such junctions; one of them can reconstruct into a pair of pentagons. The junction with two octagons presents two degenerate localized states at Fermi energy (EF). The reconstructed junction has only one state near EF, indicating that these localized states are related to the octagonal defects. The inclusion of Coulomb interaction splits the localized states in the junction with two octagons, yielding an antiferromagnetic system.
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- 2013
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233. Setting New Immunobiological Parameters in the Hamster Model of Visceral Leishmaniasis for In Vivo Testing of Antileishmanial Compounds
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Dea-Ayuela, M. A., Rama-Íñiguez, S., Alunda, J. M., and Bolás-Fernandez, F.
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- 2007
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234. On the formation of cementitious C–S–H nanoparticles
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Manzano, H., Ayuela, A., and Dolado, J. S.
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- 2007
- Full Text
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235. Ultradeformable lipid vesicles localize amphotericin B in the dermis for the treatment of infectious skin diseases
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Jéssica Adriana Jesus, María Auxiliadora Dea-Ayuela, Aikaterini Lalatsa, Francisco Bolás-Fernández, Rúben Simão, Márcia Dalastra Laurenti, Larry Statts, Dolores R. Serrano, Maria Paloma Ballesteros, Raquel Fernández-García, Liliana Bautista, Luiz Felipe Domingues Passero, Producción Científica UCH 2020, UCH. Departamento de Farmacia, Universidad Complutense de Madrid, University of Portsmouth, University of Saõ Paulo, Universidad Ceu Cardenal Herrera, and Universidade Estadual Paulista (Unesp)
- Subjects
0301 basic medicine ,Drug ,transfersomes ,Zoonoses ,media_common.quotation_subject ,Amphotericin B - Therapeutical use ,030106 microbiology ,Skin - Diseases ,Antiprotozoal Agents ,Anfotericina B - Uso terapéutico ,Leishmaniasis, Cutaneous ,Pharmacology ,RS ,03 medical and health sciences ,Mice ,Dermis ,Cutaneous leishmaniasis ,In vivo ,Amphotericin B ,parasitic diseases ,medicine ,ultradeformable lipid vesicles ,Animals ,Humans ,leishmaniasis ,media_common ,Transdermal ,Leishmaniasis ,business.industry ,tape stripping ,medicine.disease ,Haemolysis ,Lipids ,amphotericin B ,030104 developmental biology ,Infectious Diseases ,medicine.anatomical_structure ,fungal infections ,Piel - Enfermedades ,business ,Zoonosis ,medicine.drug - Abstract
Este artículo se encuentra disponible en la siguiente URL: https://pubs.acs.org/doi/10.1021/acsinfecdis.0c00293 Nota de Fondos: Esta versión preprint del artículo se encuentra a texto completo en el CEU Repositorio Institucional. En esta investigación también participan: Francisco Bolás-Fernández, Maria Paloma Ballesteros, Marcia Dalastra Laurenti, Luiz F. D. Passero, Aikaterini Lalatsa y Dolores R. Serrano. This is the pre-peer reviewed version of the following article: Fernández-García, R., Statts, L., Jesús, J.A., Dea-Ayuela, M.A., Bautista, L., Simao, R. et al. (2020). Ultradeformable lipid vesicles localize Amphotericin B in the dermis for the treatment of infectious skin diseases. ACS Infectious Diseases, vol. 6, i. 10 (18 aug.), pp. 2647-2660, which has been published in final form at https://doi.org/10.1021/acsinfecdis.0c00293 Este es el pre-print del siguiente artículo: Fernández-García, R., Statts, L., Jesús, J.A., Dea-Ayuela, M.A., Bautista, L., Simao, R. et al. (2020). Ultradeformable lipid vesicles localize Amphotericin B in the dermis for the treatment of infectious skin diseases. ACS Infectious Diseases, vol. 6, i. 10 (18 aug.), pp. 2647-2660, que se ha publicado de forma definitiva en https://doi.org/10.1021/acsinfecdis.0c00293 Cutaneous fungal and parasitic diseases remain challenging to treat, as available therapies are unable to permeate the skin barrier. Thus, treatment options rely on systemic therapy, which fail to produce high drug local concentrations but can lead to significant systemic toxicity. Amphotericin B (AmB) is highly efficacious in the treatment of both fungal and parasitic diseases such as cutaneous leishmaniasis, but is only reserved for parenteral administration in patients with severe pathophysiology. Here, we have designed and optimised AmB-transfersomes [93.5 % encapsulation efficiency, size of 150 nm, and good colloidal stability (-35.02 mV)] that can remain physicochemically stable (>90 % drug content) at room temperature and 4 °C over 6 months when lyophilised and stored under desiccated conditions. AmBtransfersomes possessed good permeability across mouse skin (4.91 ± 0.41 μg/cm2/h) and 10-fold higher permeability across synthetic Strat-M® membranes. In vivo studies after a single topical application in mice showed permeability and accumulation within the dermis (>25 μg AmB /g skin at 6 h post-administration) indicating the delivery of therapeutic amounts of AmB for mycoses and cutaneous leishmaniasis, while a single daily administration in Leishmania (Leishmania) amazonensis infected mice over 10 days resulted in excellent efficacy (98 % reduction in Leishmania parasites). Combining the application of AmB-transfersomes with metallic microneedles in vivo increased levels in the SC and dermis but is unlikely to elicit transdermal levels. In conclusion, AmB-transfersomes are promising and stable topical nanomedicines that can be readily translated for parasitic and fungal infectious diseases.
- Published
- 2020
236. [Ultrasound in the management of the critically ill patient with SARS-CoV-2 infection (COVID-19): narrative review]
- Author
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Gutiérrez, Virginia Fraile, María Ayuela Azcárate, José, Torres, David Pérez, Zapata, Lluís, Yakushev, Andrey Luis Rodríguez, and Calvo, Ana Ochagavía
- Subjects
Critical Care ,Heart Diseases ,ecocardiografía ,Critical Illness ,Heart Ventricles ,Hypertension, Pulmonary ,Transducers ,coronavirus ,Article ,Pulmonary Heart Disease ,Intubation, Intratracheal ,Humans ,Lung ,ecografía ,Ultrasonography, Interventional ,SARS-CoV-2 ,ultrasonografía ,COVID-19 ,Pneumothorax ,Shock ,Organ Size ,Pleural Effusion ,paciente crítico ,Intensive Care Units ,Echocardiography ,Blood Vessels ,Pleura ,Respiratory Insufficiency - Abstract
RESUMEN La infección por SARS-CoV-2 (COVID-19) se caracteriza por producir en las formas graves, un cuadro de insuficiencia respiratoria que puede evolucionar hacia neumonía y síndrome de distrés respiratorio agudo (SDRA), presentar complicaciones como fenómenos trombóticos y disfunción cardiaca, lo que motiva el ingreso en la Unidad de Cuidados Intensivos (UCI). La ecografía, convertida en una herramienta de uso habitual en la UCI, puede ser muy útil durante la pandemia COVID-19 ya que la información obtenida por el clínico puede ser interpretada e integrada en la valoración global durante la exploración del paciente. Este documento describe algunas de sus aplicaciones con el objetivo de proporcionar una guía a los médicos responsables adaptado al paciente crítico con COVID-19. Alguna de sus aplicaciones desde el ingreso en la UCI incluyen confirmar la correcta posición del tubo endotraqueal, facilitar la inserción segura de las vías, e identificar complicaciones y fenómenos trombóticos. Además, la ecografía pleuropulmonar puede ser una alternativa diagnóstica válida que permite evaluar el grado de afectación pulmonar, mediante el análisis de patrones ecográficos específicos, identificación del derrame pleural y del barotrauma. La ecocardiografía proporciona información acerca de la afectación cardíaca, detección del cor pulmonale y estados de shock.
- Published
- 2020
237. Evaluating the potential of Ursolic Acid as bioproduct for cutaneous and visceral leishmaniasis
- Author
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Juan J. Torrado, María Auxiliadora Dea-Ayuela, Pablo Bilbao-Ramos, Dolores R. Serrano, Helga Karina Ruiz Saldaña, Francisco Bolás-Fernández, Producción Científica UCH 2020, and UCH. Departamento de Farmacia
- Subjects
Male ,Ursolic acid - Therapeutic use ,Tecnología de los alimentos ,Administration, Topical ,Leishmania mexicana ,Pharmaceutical Science ,Pharmacology ,01 natural sciences ,Analytical Chemistry ,chemistry.chemical_compound ,Mice ,chronic-infection ,Drug Discovery ,visceral leishmaniasis ,Infusions, Parenteral ,Leishmania infantum ,0303 health sciences ,biology ,Antimicrobial ,medicine.anatomical_structure ,Leishmaniasis - Treatment ,Liver ,Chemistry (miscellaneous) ,Molecular Medicine ,Leishmaniasis, Visceral ,Farmacología ,Antiprotozoal Agents ,Spleen ,ursolic acid ,Article ,acute-infection ,Cell Line ,lcsh:QD241-441 ,03 medical and health sciences ,cutaneous leishmaniasis ,Ursolic acid ,Cutaneous leishmaniasis ,lcsh:Organic chemistry ,In vivo ,Ácido ursólico - Uso terapéutico ,medicine ,Citoquina ,Animals ,Humans ,Physical and Theoretical Chemistry ,030304 developmental biology ,Leishmaniasis - Tratamiento ,Mesocricetus ,010405 organic chemistry ,business.industry ,Plant Extracts ,Phytolaccaceae ,Organic Chemistry ,Leishmaniasis ,Leishmania ,biology.organism_classification ,medicine.disease ,cytokines ,Triterpenes ,Communicable diseases - Treatment ,0104 chemical sciences ,Cytokines ,Disease Models, Animal ,Visceral leishmaniasis ,Enfermedades infecciosas - Tratamiento ,chemistry ,business - Abstract
Este artículo se encuentra disponible en la siguiente URL: https://www.mdpi.com/1420-3049/25/6/1394 Este artículo pertenece al número especial "Bioproducts for health". Leishmaniasis a ects around 12 million people worldwide and is estimated to cause the ninth-largest disease burden. There are three main forms of the disease, visceral (VL), cutaneous (CL), and mucocutaneous (MCL), leading to more than one million new cases every year and several thousand deaths. Current treatments based on chemically synthesized molecules are far from ideal. In this study, we have tested the in vitro and in vivo e cacy of ursolic acid (UA), a multifunctional triterpenoid with well-known antitumoral, antioxidant, and antimicrobial e ects on di erent Leishmania strains. The in vitro antileishmanial activity against the intracellular forms was six and three-fold higher compared to extracellular forms of L. amazonensis and L. infantum, respectively. UA also showed to be a potent antileishmanial drug against both VL and CL manifestations of the disease in experimental models. UA parenterally administered at 5 mg/kg for seven days significantly reduced the parasite burden in liver and spleen not only in murine acute infection but also in a chronic-infection model against L. infantum. In addition, UA ointment (0.2%) topically administered for four weeks diminished (50%) lesion size progression in a chronic infection model of CL caused by L. amazonensis, which was much greater than the e ect of UA formulated as an O/W emulsion. UA played a key role in the immunological response modulating the Th1 response. The exposure of Leishmania-infected macrophages to UA led to a significant di erent production in the cytokine levels depending on the Leishmania strain causing the infection. In conclusion, UA can be a promising therapy against both CL and VL.
- Published
- 2020
238. Organic and conventional tiger nut (Cyperus esculentus) : differences in nutritional, antioxidant and microbiological properties
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Hortensia. Rico Vidal, María Auxiliadora. Dea Ayuela, José Miguel. Soriano del Castillo, Lourdes Bosch Juan, Producción Científica UCH 2020, and UCH. Departamento de Farmacia
- Subjects
Proximate total phenolic contents ,Nut ,Antioxidant ,medicine.medical_treatment ,Total antioxidant capacity ,Microbiology ,Applied Microbiology and Biotechnology ,Chufa - Propiedades ,Cyperus ,medicine ,Tiger-nut - Properties ,Organic and conventional ,biology ,Traditional medicine ,Tiger ,food and beverages ,Tiger-nut - Microbiology ,Plantas comestibles - Propiedades ,biology.organism_classification ,Tiger-nut ,Plants, Edible - Properties ,Chufa - Microbiología ,Antioxidantes ,Animal Science and Zoology ,Antioxidants ,Agronomy and Crop Science ,Composition ,Food Science - Abstract
Este artículo se encuentra disponible en la siguiente URL: https://www.ejfa.me/index.php/journal/article/view/2184 Tiger nut (Cyperus esculentus L.), also known as chufa (European sedge), is a member of the Cyperaceae family, which is used in organic and conventional agriculture for its small edible tubers and grown in temperate and tropical zones of the world being consumed raw, roasted or pressed for its juice as beverage. The aim of this study is analyzing the proximate composition (AOAC methods), total phenolic content (Folin-Ciocalteu method), total antioxidant capacity (Trolox equivalent antioxidant capacity, TEAC) and microbiological profile (International Standard Organization norms, ISO) of samples of Spanish organic and conventional, Nigerian conventional and unknown origin tiger nuts obtained from supermarkets and local markets in Spain. No significant differences in proximate composition and antioxidant properties were found between Spanish organic and conventional tiger-nuts, except in total phenolic level (p
- Published
- 2020
239. Energy-based plasmonicity index to characterize optical resonances in nanostructures
- Author
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Marta Pelc, Garnett W. Bryant, Karolina Słowik, Marvin M. Müller, Carsten Rockstuhl, Andrés Ayuela, Miriam Kosik, Karlsruhe Institute of Technology, German Research Foundation, Polish National Agency for Academic Exchange, Foundation for Polish Science, European Commission, Agencia Estatal de Investigación (España), Eusko Jaurlaritza, European Research Council, Ministerio de Ciencia, Innovación y Universidades (España), and National Science Centre (Poland)
- Subjects
Plasmonic nanoparticles ,Materials science ,Nanostructure ,business.industry ,Physics ,Physics::Optics ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Domain (software engineering) ,General Energy ,Electric field ,Energy based ,Nano ,Optoelectronics ,ddc:530 ,Physical and Theoretical Chemistry ,0210 nano-technology ,business - Abstract
Resonances sustained by plasmonic nanoparticles provide extreme electric field confinement and enhancement into the deep subwavelength domain for a plethora of applications. Recent progress in nanofabrication made it even possible to tailor the properties of nanoparticles consisting of only a few hundred atoms. These nanoparticles support both single-particle-like resonances and collective plasmonic charge density oscillations. Prototypical systems sustaining both features are graphene nanoantennas. In pushing the frontier of nanoscience, traditional identification, and classification of such resonances is at stake again. We show that in such nanostructures, the concerted electron cloud oscillation in real space does not necessarily come along with collective dynamics of conduction band electrons in energy space. This unveils an urgent need for a discussion of how a plasmon in nanostructures should be defined. Here, we propose to define it relying on energy space dynamics. The unambiguous identification of the plasmonic nature of a resonance is crucial to find out whether desirable plasmon-assisted features, such as frequency conversion processes, can be expected from a resonance. We elaborate an energy-based figure of merit that classifies the nature of resonances in nanostructures, motivated by tight binding simulations with a toy model consisting of a linear chain of atoms. We apply afterward the proposed figure of merit to a doped hexagonal graphene nanoantenna, which is known to support plasmons in the near infrared and single-particle-like transitions in the visible., M.M.M. acknowledges financial support through the Research Travel Grant by the Karlsruhe House of Young Scientists (KHYS). M.M.M. and C.R. acknowledge support by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)—project number 378579271—within project RO 3640/8-1 and from the VolkswagenStiftung. M.M.M. is grateful for the support of the Toruń Astrophysics/Physics Summer Program TAPS 2019 and the PROM project no. PPI/PRO/2018/1/00016/U/001 by the Polish National Agency for Academic Exchange. M.M.M., M.K., and K.S. acknowledge the hospitality of the Donostia International Physics Center. M.K. acknowledges the financial support from the Foundation for Polish Science (FNP) (project First Team/2017-3/20 cofinanced by the European Union under the European Regional Development Fund). M.P. and A.A. acknowledge financial support by project PID2019-105488GB-I00 of the Spanish Ministry of Science and Innovation, and the Gobierno Vasco—UPV/EHU project IT1246-19. K.S. acknowledges support from the National Science Centre, Poland (project no. 2016/23/G/ST3/0404).
- Published
- 2020
240. E-Piplartine isolated from 'Piper pseudoarboreum', a lead compound against 'Leishmaniasis'
- Author
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Isabel L. Bazzocchi, Ignacio A. Jiménez, Francisco Bolás-Fernández, Juan C. Ticona, Pablo Bilbao-Ramos, M. Auxiliadora Dea-Ayuela, Ninoska Flores, UCH. Departamento de Farmacia, and Producción Científica UCH 2020
- Subjects
Health (social science) ,Piper pseudoarboreum ,Plant Science ,lcsh:Chemical technology ,01 natural sciences ,Health Professions (miscellaneous) ,Cryptosporidium spp ,(E)-piplartine ,Herbal medicine ,lcsh:TP1-1185 ,0303 health sciences ,biology ,Traditional medicine ,Toxoplasma gondii ,Leishmaniasis - Treatment ,Fitoterapia ,Alcaloides ,alkamides ,medicine.drug ,Giardia lamblia ,Piperaceae - Therapeutic use ,Microbiology ,Article ,Alkaloids ,Fitoquímica ,03 medical and health sciences ,Cutaneous leishmaniasis ,medicine ,Potency ,bioassay-guided fractionation ,Amastigote ,030304 developmental biology ,Leishmaniasis - Tratamiento ,Piper ,Miltefosine ,Tropical disease ,Leishmaniasis ,Leishmania ,biology.organism_classification ,medicine.disease ,Communicable diseases - Treatment ,0104 chemical sciences ,Botanical chemistry ,010404 medicinal & biomolecular chemistry ,Enfermedades infecciosas - Tratamiento ,leishmanicidal activity ,Piperáceas - Uso terapéutico ,Food Science - Abstract
The current therapies of leishmaniasis, the second most widespread neglected tropical disease, have limited effectiveness and toxic side effects. In this regard, natural products play an important role in overcoming the current need for new leishmanicidal agents. The present study reports a bioassay-guided fractionation of the ethanolic extract of leaves of Piper pseudoarboreum against four species of Leishmania spp. promastigote forms, which afforded six known alkamides (1&ndash, 6). Their structures were established on the basis of spectroscopic and spectrometric analysis. Compounds 2 and 3 were identified as the most promising ones, displaying higher potency against Leishmania spp. promastigotes (IC50 values ranging from 1.6 to 3.8 µ, M) and amastigotes of L. amazonensis (IC50 values ranging from 8.2 to 9.1 µ, M) than the reference drug, miltefosine. The efficacy of (E)-piplartine (3) against L. amazonensis infection in an in vivo model for cutaneous leishmaniasis was evidenced by a significant reduction of the lesion size footpad and spleen parasite burden, similar to those of glucantime used as the reference drug. This study reinforces the therapeutic potential of (E)-piplartine as a promising lead compound against neglected infectious diseases caused by Leishmania parasites.
- Published
- 2020
241. Rehabilitación oral multidisciplinar en el paciente adulto: a propósito de dos casos
- Author
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RODRÍGUEZ AYUELA, MARÍA DEL CARMEN and RUIZ GIL, DIEGO
- Abstract
La rehabilitación oclusal de pacientes parcialmente edéntulos es un desafío para los especialistas dentales en la práctica diaria. El tratamiento multidisciplinar unifica de manera coordinada todas las ramas de la odontología para alcanzar un resultado predecible a largo plazo. En este Trabajo Fin de Grado se muestras dos casos clínicos que acuden al Servicio de Prácticas Clínicas Odontológicas de la Universidad de Zaragoza durante el curso 2019-2020.
- Published
- 2020
242. Topical buparvaquone nano-enabled hydrogels for cutaneous leishmaniasis
- Author
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María Auxiliadora Dea-Ayuela, Olivia Adewusi, Luiz Felipe Domingues Passero, Jéssica Adriana Jesus, Francisco Bolás-Fernández, Aikaterini Lalatsa, Márcia Dalastra Laurenti, Larry Statts, Dolores R. Serrano, UCH. Departamento de Farmacia, Producción Científica UCH 2020, University of Portsmouth, Universidade de São Paulo (USP), Universidad CEU Cardenal Herrera, Universidad Complutense de Madrid, Universidade Estadual Paulista (Unesp), and University Complutense de Madrid
- Subjects
Zoonoses ,Tape stripping ,Skin - Diseases ,Antiprotozoal Agents ,Leishmaniasis, Cutaneous ,Pharmaceutical Science ,Buparvaquone - Therapeutical use ,02 engineering and technology ,Pharmacology ,030226 pharmacology & pharmacy ,Parasite load ,RS ,Mice ,03 medical and health sciences ,0302 clinical medicine ,Cutaneous leishmaniasis ,In vivo ,medicine ,Stratum corneum ,Animals ,Franz cell diffusion assays ,Buparvaquone - Uso terapéutico ,Mice, Inbred BALB C ,Leishmaniasis ,business.industry ,Cutaneous Leishmaniasis ,Self-nanoemulsifying drug delivery systems (SNEDDS) ,Hydrogels ,021001 nanoscience & nanotechnology ,medicine.disease ,medicine.anatomical_structure ,Mucocutaneous Leishmaniasis ,Drug delivery ,Piel - Enfermedades ,0210 nano-technology ,business ,Zoonosis ,Buparvaquone ,Ex vivo ,Naphthoquinones ,medicine.drug - Abstract
Made available in DSpace on 2020-12-12T02:25:22Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-10-15 Leishmaniasis is a neglected disease presenting cutaneous, mucosal and visceral forms and affecting an estimated 12 million mostly low-income people. Treatment of cutaneous leishmaniasis (CL) is recommended to expedite healing, reduce risk of scarring, prevent parasite dissemination to other mucocutaneous (common with New World species) or visceral forms and reduce the chance of relapse, but remains an unmet need. Available treatments are painful, prolonged (>20 days) and require hospitalisation, which increases the cost of therapy. Here we present the development of optimised topical self-nanoemulsifying drug delivery systems (SNEDDS) loaded with buparvaquone (BPQ, a hydroxynapthoquinone from the open Malaria Box) for the treatment of CL from New World species. The administration of topical BPQ-SNEDDS gels for 7 days resulted in a reduction of parasite load of 99.989 ± 0.019% similar to the decrease achieved with intralesionally administered Glucantime® (99.873 ± 0.204%) in a L. amazonensis BALB/c model. In vivo efficacy was supported by ex vivo permeability and in vivo tape stripping studies. BPQ-SNEDDS and their hydrogels demonstrated linear flux across non-infected CD-1 mouse skin ex vivo of 182.4 ± 63.0 μg cm−2 h−1 and 57.6 ± 10.8 μg cm−2 h−1 respectively localising BPQ within the skin in clinically effective concentrations (227.0 ± 45.9 μg and 103.8 ± 33.8 μg) respectively. These levels are therapeutic as BPQ-SNEDDS and their gels showed nanomolar in vitro efficacy against L. amazonensis and L. braziliensis amastigotes with excellent selectivity index toward parasites versus murine macrophages. In vivo tape stripping experiments indicated localisation of BPQ within the stratum corneum and dermis. Histology studies confirmed the reduction of parasitism and indicated healing in animals treated with BPQ-SNEDDS hydrogels. These results highlight the potential clinical capability of nano-enabled BPQ hydrogels towards a non-invasive treatment for CL. Biomaterials Bio-engineering and Nanomedicines (BioN) Laboratory Institute of Biomedical and Biomolecular Sciences School of Pharmacy and Biomedical Sciences University of Portsmouth, White Swan Road Laboratory of Pathology of Infectious Diseases (LIM-50) Medical School University of São Paulo, Avenida Dr. Arnaldo 455, 01246903 Cerqueira César Departamento de Farmacia Facultad de Ciencias de la Salud Universidad CEU Cardenal Herrera, Edificio Seminario s/n, 46113-Moncada Departament of Microbiology and Parasitology School of Pharmacy Universidad Complutense de Madrid, Plaza Ramón y Cajal s/n Institute of Biosciences São Paulo State University (UNESP) Praça Infante Dom Henrique s/n Institute for Advanced Studies of Ocean Biosciences São Paulo State University (UNESP), Av. João Francisco Bensdorp, 1178 Departament of Pharmaceutics and Food Technology and Instituto Universitario de Farmacia Industrial (IUFI) School of Pharmacy University Complutense de Madrid, Plaza Ramón y Cajal s/n Institute of Biosciences São Paulo State University (UNESP) Praça Infante Dom Henrique s/n Institute for Advanced Studies of Ocean Biosciences São Paulo State University (UNESP), Av. João Francisco Bensdorp, 1178
- Published
- 2020
243. Belite cements and their activation
- Author
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Ana Cuesta, Andrés Ayuela, Miguel A. G. Aranda, Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), European Commission, Eusko Jaurlaritza, and Universidad del País Vasco
- Subjects
Alite ,Materials science ,Portland cement ,Kiln ,Materiales de construcción -- Durabilidad ,0211 other engineering and technologies ,02 engineering and technology ,Cemento- Efectos del dióxido de carbono atmosférico ,Durability ,chemistry.chemical_compound ,Amorphous materials ,Operating temperature ,Polimorfismo (Cristalografía) ,021105 building & construction ,General Materials Science ,Calcium aluminates ,Cemento Portland ,Polymorphism ,NOx ,Efectos del dióxido de carbono ,Dicalcium silicate activation ,Building and Construction ,021001 nanoscience & nanotechnology ,Microstructure ,Active belite cements ,chemistry ,Chemical engineering ,Sustainability ,Efecto invernadero ,Belite ,0210 nano-technology ,CO2 footprint - Abstract
Belite cements, BCs, containing mainly belite, alite and calcium aluminates, are currently used as low heat cements. These binders produce high amounts of C–S–H gel and have very good durability properties which are reviewed. Additional advantages include: (i) lower limestone demand, with lower associated CO2 emissions; (ii) lower energy demand; (iii) lower kiln operating temperature, which means lowering CO2 and NOx emissions from fuel burning; and (iv) lower temperature increase at early hydration age. However, early-age strength developments are not competitive with those of Portland cements. Hence, to improve their early-age strength developments is a research priority known as activation. This enhancement can be attained by three compatible approaches: (i) chemical, (ii) physical; and (iii) admixture activations. The current research status for BCs activation is reviewed including: cost-effective element substitutions to stabilize high-temperature forms; fast cooling, milling and mild temperature hydration as physical activation; and the use of C–S–H seeds as admixture activation. After discussion of the resulting microstructures, a research outlook is exercised., The work in Malaga has been supported by BIA2017-82391-R research grant, which is co-funded by FEDER. The work in San Sebastián was supported by PID2019-105488GB-I00 research grant, the Gobierno Vasco UPV/EHU (Project No. IT-1246-19), and the EIG CONCERT-Japan 5th Joint Call on Functional Porous Materials (Project No. PCI2019-103657-POROPCM).
- Published
- 2020
244. Optimized geometry of the cluster [Gd.sub.2][O.sub.3] and proposed antiferromagnetic alignment of f-electron magnetic moment
- Author
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Ayuela, A., March, N.H., and Klein, D. J.
- Subjects
Density functionals -- Usage ,Clusters (Chemistry) -- Research ,Clusters (Chemistry) -- Properties ,Chemicals, plastics and rubber industries - Abstract
A single [Gd.sub.2][O.sub.3] cluster in free space is examined quantitatively by spin-density functional theory, with appropriate relativistic corrections incorporated for Gd. A careful study of the magnetic arrangement of the localized f-electron moments on the two Gd atoms predicts that the localized spins are aligned antiferromagnetically.
- Published
- 2007
245. Applying Loop-mediated Isothermal Amplification (LAMP) in the Diagnosis of Malaria, Leishmaniasis and Trypanosomiasis as Point-of-Care Tests (POCTs)
- Author
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Cristina Galiana-Roselló, Aikaterini Lalatsa, M. Auxiliadora Dea-Ayuela, Dolores R. Serrano, Producción Científica UCH 2018, and UCH. Departamento de Farmacia
- Subjects
0301 basic medicine ,Computer science ,Point-of-Care Systems ,Paludismo - Diagnóstico ,Point-of-care testing ,030106 microbiology ,Chagas' disease - Diagnosis ,Loop-mediated isothermal amplification ,Computational biology ,Diagnostic tools ,RS ,Pharmaceutical chemistry ,03 medical and health sciences ,Trypanosomiasis ,Drug Discovery ,medicine ,Humans ,Trypanosomiasis - Diagnosis ,Tripanosomiasis - Diagnóstico ,Leishmaniasis ,Chagas, Enfermedad de - Diagnóstico ,Leishmaniasis - Diagnosis ,Malaria - Diagnosis ,Química farmacéutica ,Diagnostic test ,Leishmaniasis - Diagnóstico ,General Medicine ,Clinical biochemistry ,medicine.disease ,Malaria ,Bioquímica clínica ,Diagnosis of malaria ,Nucleic Acid Amplification Techniques - Abstract
Este artículo se encuentra disponible en la página web de la revista en la siguiente URL: http://www.eurekaselect.com/166607/article This is the pre-peer reviewed version of the following article: Dea Ayuela, MA., Galiana-Roselló, C., Lalatsa, A. & Serrano, DR. (2018). Applying Loop-mediated Isothermal Amplification (LAMP) in the Diagnosis of Malaria, Leishmaniasis and Trypanosomiasis as Point-of-Care Tests (POCTs). Current Topics in Medicinal Chemistry, vol. 18, n. 16, pp. 1358-1374, which has been published in final form at https://doi.org/10.2174/1568026618666181025095735 Este es el post-print del siguiente artículo: Dea Ayuela, MA., Galiana-Roselló, C., Lalatsa, A. & Serrano, DR. (2018). Applying Loop-mediated Isothermal Amplification (LAMP) in the Diagnosis of Malaria, Leishmaniasis and Trypanosomiasis as Point-of-Care Tests (POCTs). Current Topics in Medicinal Chemistry, vol. 18, n. 16, pp. 1358-1374, que se ha publicado de forma definitiva en https://doi.org/10.2174/1568026618666181025095735 One of the main objectives of the WHO is controlling transmission of parasitic protozoa vector-borne diseases. A quick and precise diagnosis is critical in selecting the optimal therapeutic regime that avoids unnecessary treatments and the emergence of resistance. Molecular assays based on loopmediated isothermal amplification (LAMP) techniques are a good alternative to light microscopy and antigen-based rapid diagnostic tests in developing countries, since they allow for a large amount of genetic material generated from a few copies of DNA, and use primers that lead to high sensitivity and specificity, while the amplification process can be performed in isothermal conditions without the need of sophisticated equipment to interpret the results. In this review, the main advances in the development of LAMP assays for the diagnosis of malaria, leishmaniasis and Chagas' disease are discussed as well as the feasibility of their implementation in developing countries and use as point- of-care diagnostic tests. Postprint
- Published
- 2018
246. Evaluating the Potential of Ursolic Acid as Bioproduct for Cutaneous and Visceral Leishmaniasis
- Author
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Bilbao Ramos, Pablo Estanislao, Serrano López, Dolores Remedios, Ruiz Saldaña, Helga Karina, Torrado Durán, Juan José, Bolás Fernández, Francisco, Dea Ayuela, María Auxiliadora, Bilbao Ramos, Pablo Estanislao, Serrano López, Dolores Remedios, Ruiz Saldaña, Helga Karina, Torrado Durán, Juan José, Bolás Fernández, Francisco, and Dea Ayuela, María Auxiliadora
- Abstract
Leishmaniasis affects around 12 million people worldwide and is estimated to cause the ninth-largest disease burden. There are three main forms of the disease, visceral (VL), cutaneous (CL), and mucocutaneous (MCL), leading to more than one million new cases every year and several thousand deaths. Current treatments based on chemically synthesized molecules are far from ideal. In this study, we have tested the in vitro and in vivo efficacy of ursolic acid (UA), a multifunctional triterpenoid with well-known antitumoral, antioxidant, and antimicrobial effects on different Leishmania strains. The in vitro antileishmanial activity against the intracellular forms was six and three-fold higher compared to extracellular forms of L. amazonensis and L. infantum, respectively. UA also showed to be a potent antileishmanial drug against both VL and CL manifestations of the disease in experimental models. UA parenterally administered at 5 mg/kg for seven days significantly reduced the parasite burden in liver and spleen not only in murine acute infection but also in a chronic-infection model against L. infantum. In addition, UA ointment (0.2%) topically administered for four weeks diminished (50%) lesion size progression in a chronic infection model of CL caused by L. amazonensis, which was much greater than the effect of UA formulated as an O/W emulsion. UA played a key role in the immunological response modulating the Th1 response. The exposure of Leishmania-infected macrophages to UA led to a significant different production in the cytokine levels depending on the Leishmania strain causing the infection. In conclusion, UA can be a promising therapy against both CL and VL., University CEU-Cardenal Herrera, Agencia Española de Cooperación Internacional para el Desarrollo (AECID), Depto. de Farmacia Galénica y Tecnología Alimentaria, Fac. de Farmacia, TRUE, pub
- Published
- 2020
247. La importancia del apoyo activo en relación con la discapacidad. Estudio de caso de Miguel
- Author
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Gómez Diago, Henar, Ayuela Fernández, María del Mar, Universidad de Valladolid. Facultad de Educación de Palencia, Gómez Diago, Henar, Ayuela Fernández, María del Mar, and Universidad de Valladolid. Facultad de Educación de Palencia
- Abstract
En el presente trabajo de fin de grado se muestra una investigación cualitativa de un estudio de caso. Miguel, es un hombre de 40 años que presenta parálisis cerebral espástica, con afectación de sus cuatro extremidades. Como educadora social y dando valor a la importancia que tiene la participación de la persona en los diferentes ámbitos de su vida diaria, esta investigación pretende, basándonos en el enfoque del apoyo activo y trabajando desde un prisma interdisciplinar y socioeducativo, diseñar una propuesta de intervención que tenga como objetivo que Miguel adquiera los apoyos necesarios para participar en su entorno activamente en la medida de sus posibilidades, trasladándolos así, a su entorno familiar y educativo para mejorar su calidad de vida, Grado en Educación Social
- Published
- 2020
248. Mechanism for ESCPE-1 mediated membrane remodelling and cargo selection in endosomal
- Author
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Hierro Ayuela, Aitor, Alonso Izquierdo, Alicia, Bioquímica y biología molecular, Biokimika eta biologia molekularra, López Robles, Carlos, Hierro Ayuela, Aitor, Alonso Izquierdo, Alicia, Bioquímica y biología molecular, Biokimika eta biologia molekularra, and López Robles, Carlos
- Abstract
iii, 159 p., El reciclaje de proteínas es fundamental para mantener la homeostasis celular. Este trabajo se enfoca en el reciclaje de proteínas que llegan a los endosomas. Allí, las proteínas transmembrana (receptores) son recicladas en un sistema de membranas tubulares (conocido como ¿tubular endosomal network¿) que emergen de los endosomas y se distribuyen por la célula, en concreto hacia el aparato de Golgi y la membrana plasmática. Usando un enfoque multidisciplinar que implica distintas técnicas bioquímicas y de biología estructural, hemos caracterizado uno de los complejos involucrados en la selección de proteínas a reciclar y la deformación de membranas. En concreto, usando cristalografía y difracción de rayos X, hemos resuelto parte de la estructura de este complejo. Por otro lado, diversas técnicas bioquímicas nos han servido para observar la interacción de dicho complejo con una de las proteínas que recicla. Por último, usando la última tecnología en microscopía electrónica (conocida como crio-tomografía electrónica y promedio del sub-tomograma, o "cryo-electron tomography and sub-tomogram averaging"), hemos visto cómo dicho complejo se sitúa en la membrana y es capaz de formar tubos a partir de vesículas artificiales, o liposomas. Nuestro trabajo ayuda a la comprensión de los mecanismos de reciclaje celular, contribuyen a entender el sistema de membranas que emerge de los endosomas.
- Published
- 2020
249. Entrenamiento en habilidades básicas de intervención grupal para la mejora de la regulación emocional de personal Complutense: protocolo para alumnos de posgrado en Psicología General Sanitaria
- Author
-
Larroy García, Cristina, Fernández Arias, Ignacio Gabino, Quiroga Estévez, María Ángeles, Valiente Ots, M. Carmen, Asenjo Villamayor, Marta, Ayuela González, Daniel, Lozano Viñas, Belen, Vicente Moreno, Raquel Pilar de, Florido Farfan, Rocio, Gómez Zubeldia, Ainara, Pousada Fonseca, Teresa, Martínez Bernardo, Ana, Rodrigo Apio, Juan José, Solera Casilda, María Teresa, Suarez Dueñas, Laura, Gozalo Arenal, María, Martín Vallejo, María Cristina, Roldan Díaz, Laura, Larroy García, Cristina, Fernández Arias, Ignacio Gabino, Quiroga Estévez, María Ángeles, Valiente Ots, M. Carmen, Asenjo Villamayor, Marta, Ayuela González, Daniel, Lozano Viñas, Belen, Vicente Moreno, Raquel Pilar de, Florido Farfan, Rocio, Gómez Zubeldia, Ainara, Pousada Fonseca, Teresa, Martínez Bernardo, Ana, Rodrigo Apio, Juan José, Solera Casilda, María Teresa, Suarez Dueñas, Laura, Gozalo Arenal, María, Martín Vallejo, María Cristina, and Roldan Díaz, Laura
- Abstract
Se presenta un protocolo de entrenamiento de gestión de grupos, dirigido a los alumnos del Máster en Psicología General Sanitaria (MPGS), y diseñado para la mejora de las habilidades de regulación emocional de la comunidad Complutense (PAS y PDI).
- Published
- 2020
250. Energy-based plasmonicity index to characterize optical resonances in nanostructures
- Author
-
Karlsruhe Institute of Technology, German Research Foundation, Polish National Agency for Academic Exchange, Foundation for Polish Science, European Commission, Agencia Estatal de Investigación (España), Eusko Jaurlaritza, European Research Council, Ministerio de Ciencia, Innovación y Universidades (España), National Science Centre (Poland), Müller, Marvin M., Kosik, Miriam, Pelc, Marta, Bryant, Garnett W., Ayuela, Andrés, Rockstuhl, Carsten, Słowik, Karolina, Karlsruhe Institute of Technology, German Research Foundation, Polish National Agency for Academic Exchange, Foundation for Polish Science, European Commission, Agencia Estatal de Investigación (España), Eusko Jaurlaritza, European Research Council, Ministerio de Ciencia, Innovación y Universidades (España), National Science Centre (Poland), Müller, Marvin M., Kosik, Miriam, Pelc, Marta, Bryant, Garnett W., Ayuela, Andrés, Rockstuhl, Carsten, and Słowik, Karolina
- Abstract
Resonances sustained by plasmonic nanoparticles provide extreme electric field confinement and enhancement into the deep subwavelength domain for a plethora of applications. Recent progress in nanofabrication made it even possible to tailor the properties of nanoparticles consisting of only a few hundred atoms. These nanoparticles support both single-particle-like resonances and collective plasmonic charge density oscillations. Prototypical systems sustaining both features are graphene nanoantennas. In pushing the frontier of nanoscience, traditional identification, and classification of such resonances is at stake again. We show that in such nanostructures, the concerted electron cloud oscillation in real space does not necessarily come along with collective dynamics of conduction band electrons in energy space. This unveils an urgent need for a discussion of how a plasmon in nanostructures should be defined. Here, we propose to define it relying on energy space dynamics. The unambiguous identification of the plasmonic nature of a resonance is crucial to find out whether desirable plasmon-assisted features, such as frequency conversion processes, can be expected from a resonance. We elaborate an energy-based figure of merit that classifies the nature of resonances in nanostructures, motivated by tight binding simulations with a toy model consisting of a linear chain of atoms. We apply afterward the proposed figure of merit to a doped hexagonal graphene nanoantenna, which is known to support plasmons in the near infrared and single-particle-like transitions in the visible.
- Published
- 2020
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