Person: Alcolea Palafox, Mauricio
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First Name
Mauricio
Last Name
Alcolea Palafox
Affiliation
Universidad Complutense de Madrid
Faculty / Institute
Ciencias Químicas
Department
Química Física
Area
Química Física
Identifiers
13 results
Search Results
Now showing 1 - 10 of 13
- Project number: 3
Item Elaboración de material audiovisual de uso en asignaturas prácticas y teórico prácticas de grados y dobles grados que tratan la química(2023) Isasi Marín, Josefa; Alcolea Palafox, Mauricio; Fernández-Ramos Humanes, Miguel; Rapp Diez de la Cortina, María; Hernán García, Esther; de la Lastra Martínez, Jaime; Alba Isasi, Pablo; Cáceres Ramos, Silvia; Alba Isasi, Carlos; Herranz Muñoz, Irene; Gordo Lozano, Marta; Luliana Ionita, Andrea; García Calvo, Elena; Espada Morán, Luis; Villa García, Mª Isabel; Martín Gandul, Mª del Carmen; Arévalo Cid, Pablo; Martinez Pacheco, Andrea; Boulahya, Khalid; Marco Arquero, Alexia; Arquero Avilés, María Del Rosario; Marco Arquero, Carla; Marco Arquero, María; Marco Cuenca, Gonzalo; Criado García, Mª Rosario; Sánchez Calero, LuisaEn el desarrollo del proyecto se han elaborado un total de 25 tutoriales que se convertirán en la guía con la que los estudiantes y el profesorado podrán recordar el funcionamiento de todos los softwares utilizados durante el grado (Excel, Origin, Avogadro, ChemSketch, Vesta, X´pert, Checkell, Hyperchem y Fullprof), pudiendo aprender además aquello que no se asimiló bien o lo que nunca se llegó a conocer de estos programas. Este material está ya a disposición de todos los estudiantes de la UCM y de otras universidades en el canal QuimIsasi (https://www.youtube.com/channel/UCNG3-lLP2AetTksEBC0hAw) en el espacio de título "Material audiovisual de uso en asignaturas prácticas de grados que tratan la Química", siendo de suma utilidad para el alumnado que vaya a cursar o que cursará diferentes asignaturas prácticas y teórico-prácticas incluidas en grados y dobles grados que tratan la Química. El análisis y evaluación del material audiovisual elaborado podrá permitir un aprendizaje más eficaz del manejo de distintos programas que, como se verá, va a permitir llevar a cabo: cálculos generales y estadísticos, creación de bases de datos, dibujos de moléculas y su simetría, representación de estructuras de compuestos inorgánicos/orgánicos y cálculos de parámetros de celdilla de esas estructuras o de sus momentos magnéticos. - Project number: PIMCD73/23-24
Item Utilización de la metodología de Simulación clínica en la entrevista clínica para estudiantes de estudiantes de ciencias de la salud.(2024) Martínez Jiménez, Eva María; Becerro De Bengoa Vallejo, Ricardo; Zaragoza García, Ignacio; Posada Moreno, María Paloma; Alcolea Palafox, Mauricio; Calvo Lobo, César; Pedraza Velasco, María Lourdes De; Pérez Boal, Eduardo; Casado Hernández, Israel; Soriano Medrano, Alfredo; Rodríguez Sanz, David; Muñoz Sánchez, José Luis; Rodríguez Sancho María José; Martínez Jiménez, Eva María Item Synthesis, structural and morphological characterization and photoluminescence study of Y0.9Er0.1−xYbxVO4 materials(Journal of alloys and compounds, 2022) Rapp, M.; Isasi Marín, Josefa; Alcolea Palafox, Mauricio; Muñoz Ortiz, T.; Ortiz Rivero, E.Erbium/ytterbium-dopped Y0.9Er0.1−xYbxVO4 samples with x = 0, 0.01, 0.05 and 0.09 were synthesized by hydrothermal synthesis at basic pH with urea addition. For comparison purposes, another sample with x = 0 was also prepared by the solgel method. X-ray diffraction patterns were indexed on the basis to a tetragonal symmetry of space group I41/amd with Z = 4 compatible with a zircon-type, in good agreement with FTIR spectra. Additionally, some of the samples were coated with silica, and the successful coating process was verified in both X-ray diffraction profiles and FTIR spectra. Particles of two different morphologies were found in transmission electron microscopy images of uncoated samples, some spherical with sizes between 14 and 20 nm and others elongated. A shell of ~ 5 nm thickness was also observed in silica covered samples. The relationship between dopant content and the luminescence emission was systematically explored. Erbium-doped samples exhibit bright green fluorescence under stimulation at 360 nm. The substitution of erbium by ytterbium successfully produced an up-conversion emission under stimulation at 808 nm, being able to observe green and red emission bands. The potential use as fluorescent thermometers of erbium/ ytterbium doped samples at 300, 325 and 350 K was finally investigatedItem Combined NMR sectroscopy and quantum-chemical calculations in fluorescent 1,2,3-triazole-4-carboxylic acids fine structures analysis(International Journal of Molecular Sciences, 2023) Safronov, Nikita E.; Kostova, Irena P.; Alcolea Palafox, Mauricio; Nataliya P. BelskayaThe peculiarities of the optical properties of 2-aryl-1,2,3-triazole acids and their sodium salts were investigated in different solvents (1,4-dioxane, dimethyl sulfoxide DMSO, methanol MeOH) and in mixtures with water. The results were discussed in terms of the molecular structure formed by inter- and intramolecular noncovalent interactions (NCIs) and their ability to ionize in anions. Theoretical calculations using the Time-Dependent Density Functional Theory (TDDFT) were carried out in different solvents to support the results. In polar and nonpolar solvents (DMSO, 1,4-dioxane), fluorescence was provided by strong neutral associates. Protic MeOH can weaken the acid molecules’ association, forming other fluorescent species. The fluorescent species in water exhibited similar optical characteristics to those of triazole salts; therefore, their anionic character can be assumed. Experimental 1H and 13C-NMR spectra were compared to their corresponding calculated spectra using the Gauge-Independent Atomic Orbital (GIAO) method and several relationships were established. All these findings showed that the obtained photophysical properties of the 2-aryl-1,2,3-triazole acids noticeably depend on the environment and, therefore, are good candidates as sensors for the identification of analytes with labile protons.Item Superparamagnetic and light-emitting bifunctional nanocomposites of iron oxide and erbium or thulium doped yttrium orthovanadate(Journal of Alloys and Compounds, 2022) Rapp Díez de la Cortina, María; Lozano Vilches, Yaiza; Fernández Ramos, Miguel; Isasi Marín, Josefa; Alcolea Palafox, MauricioAdvances in biomedical research have increased interest in obtaining and studying new bifunctional materials for use in theragnostic. Here we describe in detail the preparation of new magnetic-fluorescent bifunctional (Y0.9Ln0.1VO4/Fe3O4)@SiO2 and [(Y0.9Ln0.1VO4 @SiO2)/Fe3O4)@SiO2] nanocomposites with Ln = Er or Tm. In addition, their magnetic and optical properties were carefully analyzed. The influence of Fe3O4 content and the silica shell thickness on the fluorescent emission in the VIS-NIR region of Y0.9Ln0.1VO4 cores was evaluated as well as their use as display systems with the possibility of directing them by means of external magnetic fields. Samples were prepared using wet chemistry methods involving low temperatures and short reaction times. Y0.9Ln0.1VO4 samples that are not easily oxidizable were prepared by a hydrothermal method, while Fe3O4 sample was synthesized by a coprecipitation process in which the mixture of precursors was treated at very low temperature to avoid oxidation. The powder amalgamation of both Y0.9Ln0.1VO4 and Fe3O4 samples was possible due to the silica polymeric network synthetized by a modified Stöber method. The purity of all samples was ensured by XRD and FTIR techniques. Diffraction profiles of Y0.9Ln0.1VO4 samples show diffraction maxima that can be indexed to a tetragonal symmetry of space group I41/amd, compatible with the zircon structure-type of YVO4 host. All reflections present in the diffraction profile of Fe3O4 sample can be indexed to a cubic symmetry of space group Fd3̅m, characteristic of an inverse spinel structure-type. The amorphous silica incorporation on the samples was also evaluated by TEM images. Studies of the magnetic behavior and luminescent emission intensity of the investigated samples showed their dependence on both, the silica coating thickness, and the contact or not between the luminescent samples and the magnetic powder.- Project number: 229
Item Ciencia on-line de uso para la prevención y mejora de los efectos del Covid-19(2021) Alcolea Palafox, Mauricio; Isasi Marín, Josefa; Calvo Lobo, César; Pedraza Velasco, María Lourdes de; Becerro de Bengoa Vallejo, Ricardo; Rodríguez Sanz, David; Alba Aparicio, Valentin; Espada Morán, Luis; Toninelli Rodriguez, Sergio; Martinez Pacheco, Andrea; Fernández-Ramos Humanes, Miguel; Rapp Díez de la Cortina, María; Lozano Vilches, Yaiza; Gómez Prados, SergioEl proyecto se planteó con el objetivo general de actuar ante la necesidad de hacer más motivador y comprensible el estudio de alguna de las materias que se imparten hoy en nuestras facultades, poniendo de relieve la prevención y mejora que los efectos del confinamiento por el Covid-19 pudieran acentuarse de cara al futuro. Item Degradation of Human Serum Albumin by Infrared Free Electron Laser Enhanced by Inclusion of a Salen-Type Schiff Base Zn (II) Complex(International Journal of Molecular Sciences, 2020) Onami, Yuika; Kawasaki, Takayasu; Aizawa, Hiroki; Haraguchi, Tomoyuki; Akitsu, Takashiro; Tsukiyama, Koichi; Alcolea Palafox, MauricioA salen-type Schiff base Zn(II) complex included in human serum albumin (HSA) protein was examined by UV-Vis, circular dichroism (CD), and fluorescence (PL) spectra. The formation of the composite material was also estimated by a GOLD program of ligand–protein docking simulation. A composite cast film of HSA and Zn(II) complex was prepared, and the effects of the docking of the metal complex on the degradation of protein molecules by mid-infrared free electron laser (IR-FEL) were investigated. The optimum wavelengths of IR-FEL irradiation to be used were based on experimental FT-IR spectra and vibrational analysis. Using TD-DFT results with 6-31G(d,p) and B3LYP, the IR spectrum of Zn(II) complex could be reasonably assigned. The respective wavelengths were 1652 cm−1 (HSA amide I), 1537 cm−1 (HSA amide II), and 1622 cm−1 (Zn(II) complex C=N). Degradation of HSA based on FT-IR microscope (IRM) analysis and protein secondary structure analysis program (IR-SSE) revealed that the composite material was degraded more than pure HSA or Zn(II) complex; the inclusion of Zn(II) complex enhanced destabilization of folding of HSA.- Project number: 83
Item Enseñanza de química con fundamento. Ensayos virtuales(2022) Isasi Marín, Josefa; Arquero Avilés, María Del Rosario; Marco Cuenca, Gonzalo; Fernández-Ramos Humanes, Miguel; Rap diez de la Cortina, María; Martínez Pacheco, Andrea; Gómez Prados, Sergio; Lozano Vilches, Yaiza; Alba Isasi, Pablo; Alba Isasi, Carlos; Marco Arquero, María; Alba Isasi, María Teresa; Alcolea Palafox, Mauricio; Espada Morán, Luis; Marco Arquero, Carla; Marco Arquero, Alexia; Herranz Muñoz, Irene; Cáceres Ramos, Silvia; Hernán García, Esther; de la Lastra Martínez, Jaime; Veas Porlán, Manuel; Pareja García, Arturo; García Calvo, Elena; Ferreiro de Aguiar, Adriana; Fernández Rivero, Adrian; Gordo Lozano, Marta; Arévalo Cid, Pablo; Boulahya, Khalid; Sánchez Calero, Luisa24 vídeos se han elaborado en el desarrollo del trabajo. Estos vídeos muestran grabaciones de experimentos sencillos que tratan contenidos de Química general y su explicación. El trabajo está teniendo una buena aceptación, tal y como lo demuestran las muchas entradas al canal de YouTubehttps://www.youtube.com/channel/UCNG3-lLP2AetT-ksEBC0hAw/video - Project number: 6
Item Colección de cuentos de Química y Genética para el fomento de nuevas vocaciones científicas(2021) Isasi Marín, Josefa; Alcolea Palafox, Mauricio; Alba Isasi, María Teresa; Alba Isasi, Carlos; Alba Isasi, Pablo; Lachiondo Camuñas, María; Lachiondo Camuñas, Silvia; Sánchez Calero, Luisa; Pozo Lite, María Luisa Del; Pradillo Orellana, Mónica; Fernández Jiménez, Nadia; Boyano González, Marina; Pérez González, Ana Elisa; Araujo Gutiérrez, Antonio Diego; Ventura Balazar, Gianmarco; Arquero Avilés, María Del Rosario; Espada Morán, Luis; Marco Cuenca, Gonzalo; Marco Arquero, María; Villar Tajadura, María AntoniaSe han escrito diez narraciones que incluyen contenidos básicos de Química y de Genética. Su lectura y reflexión podrá clarificar conceptos que, en ocasiones, se aprenden sin entender su verdadero significado y, tal entendimiento, podrá contribuir a incrementar el interés por la ciencia y al fomento de nuevas vocaciones científicas. Item Effects of the Sr/Ba and Eu2+/Eu3+/Dy3+ ions content on the luminescent emission of M0.90Eu0.1‐xDyxZr4(PO4)6 nanophosphors with M = Sr or Ba and x = 0, 0.025, 0.050 and 0.075(Journal of Alloys and Compounds, 2023) Martínez, Andrea; Isasi Marín, Josefa; Gómez, Sergio; Alcolea Palafox, Mauricio; Gumiel, Carlos; Peiteado, Marco; Alcaraz, Lorena; Science Citation Index ExpandedThe preparation and study of new pure M0.90Eu0.1‐xDyxZr4(PO4)6 samples with M = Sr or Ba and x = 0, 0.025, 0.050 and 0.075 was described here in detail. Currently, the luminescent emission study of this type of samples based on their tunable with the type and content of ions in the host lattice is the subject of research. These samples were synthesized by a combustion route with urea addition, followed by treatment in a reducing N2/H2 atmosphere. The effect of the strontium by barium substitution and the europium by dysprosium partial substitution on the structure, powder morphology, luminescent emission and magnetic behavior was investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM), photoluminescence (PL) spectroscopy and magnetic measurements. X-ray diffraction patterns of the pure samples show diffraction maxima that can be assigned to a rhombohedral symmetry of space group R-3 with Z=6, compatible with a NASICON-type structure. FTIR spectra of the investigated samples show a broad band assignable to the different vibrational modes of the PO4 3- groups. The experimental FTIR study was complemented with a theoretical study based on the SrZr4(PO4)6 structure and using different DFT methods and basis sets. Highly agglomerated spherical nanoparticles with an average particle size of about 18 nm that slightly increased with dysprosium content were found in TEM images. Broad emission bands were observed in the PL spectra of obtained samples, related to both the strontium by barium substitution and the different Eu2+/Eu3+/Dy3+ content. Magnetic susceptibility curves as a function of temperature confirm the presence of Eu2+ ions in Sr0.90Eu0.1Zr4(PO4)6 sample, and of Dy3+ ions with different Eu2+/Eu3+ ions content in the remaining M0.90Eu0.1‐xDyxZr4(PO4)6 samples.