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    • openAccess   Parallel reaction pathways and noncovalent intermediates in thymidylate synthase revealed by experimental and computational tools 

      Kholodar, Svetlana; Ghosh, Ananda K; Świderek, Katarzyna; Moliner, Vicent; Kohen, Amnon National Academy of Sciences (2018)
      Thymidylate synthase was one of the most studied enzymes due to its critical role in molecular pathogenesis of cancer. Nevertheless, many atomistic details of its chemical mechanism remain unknown or debated, thereby ...

    • closedAccess   Peak half-width plots to study the effect of organic solvents on the peak performance of basic drugs in micellar liquid chromatography 

      Ruiz Ángel, M. J.; Carda-Broch, Samuel; García Álvarez-Coque, M. C. Elsevier (2010)
      The addition of the anionic surfactant sodium dodecyl sulphate (SDS) to hydro-organic mixtures of methanol, ethanol, propanol or acetonitrile with water yielded enhanced peak shape (i.e. increased efficiencies and symmetrical ...

    • closedAccess   Peptide Bond Formation Mechanism Catalyzed by Ribosome 

      Świderek, Katarzyna; Martí Forés, Sergio; Tuñón, Iñaki; Moliner, Vicent; Bertran, Joan American Chemical Society (2015)
      In this paper we present a study of the peptide bond formation reaction catalyzed by ribosome. Different mechanistic proposals have been explored by means of Free Energy Perturbation methods within hybrid QM/MM potentials, ...

    • closedAccess   Peptide-Based Molecular Hydrogels as Supramolecular Protein Mimics 

      Singh, Nishant; Kumar, Mohit; Miravet, Juan; Escuder, Beatriu Wiley (2017-01-23)
      This Minireview concerns recent advances in the design, synthesis, and application of low molecular-weight peptidic hydrogelators. The sequence-specific combinations of amino acid side chain functionalities combined with ...

    • openAccess   Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2 

      Medrano Martin, Francisco Javier; De la Hoz Rodríguez, Sergio; Martí, Sergio; Arafet Cruz, Kemel; Schirmeister, Tanja; Hammerschmidt, Stefan Josef; Müller-Ruttloff, Christin; González-Martínez, Águeda; Santillana Heras, Elena; Ziebuhr, John; Romero Garrido, Antonio; Zimmer, Collin; Weldert, Annabelle Carolin; Zimmermann, Robert; Lodola, Alessio; Świderek, Katarzyna; Moliner, Vicent; González, Florenci Springer Nature (2024-01-18)
      The coronavirus disease 2019 (COVID-19) pandemic continues to represent a global public health issue. The viral main protease (Mpro) represents one of the most attractive targets for the development of antiviral drugs. ...

    • closedAccess   Performance of different C18 columns in reversed-phase liquid chromatography with hydro-organic and micellar-organic mobile phases 

      Ruiz Ángel, M. J.; Pous Torres, Sandra; Carda-Broch, Samuel; García Álvarez-Coque, M. C. (2015-06-22)
      Column selection in reversed-phase liquid chromatography (RPLC) can become a challenge if the target compounds interact with the silica-based packing. One of such interactions is the attraction of cationic solutes to the ...

    • openAccess   Performance of the linear ion trap Orbitrap mass analyzer for qualitative and quantitative analysis of drugs of abuse and relevant metabolites in sewage water 

      Bijlsma, Lubertus; Emke, Erik; Hernandez, Felix; de Voogt, Pim Elsevier (2013-03-20)
      This work illustrates the potential of liquid chromatography coupled to a hybrid linear ion trap Fourier Transform Orbitrap mass spectrometer for the simultaneous identification and quantification of 24 drugs of abuse and ...

    • openAccess   Peripheral modulation of antidepressant targets MAO-B and GABAAR by harmol induces mitohormesis and delays aging in preclinical models 

      Costa-Machado, Luis Filipe; García-Domínguez, Esther; McIntyre, Rebecca L.; Lopez Aceituno, Jose Luis; Ballesteros-González, Álvaro; Tapia-Gonzalez, Andrea; Fabregat-Safont, David; Eisenberg, Tobias; Gómez, Jesús; Plaza, Adrian; Sierra Ramírez, Arantzazu; Pérez, Manuel; Villanueva Bermejo, David; Fornari, Tiziana; Loza García, María Isabel; Herradón, Gonzalo; Hofer, Sebastian; Magnes, Christoph; Madeo, Frank; Duerr, Janet S.; Pozo, Oscar; Galindo, Máximo Ibo; del Pino, Isabel; Houtkooper, Riekelt H.; Megias, Diego; Viña, José; Gomez-Cabrera , Mari Carmen; Fernandez-Marcos, Pablo J. Nature Research (2023)
      Reversible and sub-lethal stresses to the mitochondria elicit a program of compensatory responses that ultimately improve mitochondrial function, a conserved anti-aging mechanism termed mitohormesis. Here, we show ...

    • openAccess   Pesticide residues and transformation products in groundwater from a Spanish agricultural region on the Mediterranean Coast 

      Hernandez, Felix; Marín Ramos, José Manuel; Pozo, Óscar J.; Sancho, Juan V; Lopez, Francisco; Morell, Ignacio Taylor & Francis (2008)
      An overview is given on the presence and changes over time of pesticide residues in groundwater from the Valencia region, one of the most important citrus cultivation sites of southern Europe. A multiresidue LC-MS/MS ...

    • closedAccess   Photogeneration of Hydrogen from Water by Hybrid Molybdenum Sulfide Clusters Immobilized on Titania 

      Recatalá Ferrandis, David; Llusar, Rosa; Gushchin, Artem L.; Kozlova, Ekaterina A.; Laricheva, Yuliya A.; Abramov, Pavel A.; Sokolov, Maxim; Gómez, Roberto; Lana-Villarreal, Teresa John Wiley & Sons (2015)
      Two new hybrid molybdenum(IV) Mo3S7 cluster complexes derivatized with diimino ligands have been prepared by replacement of the two bromine atoms of [Mo3S7Br6]2− by a substituted bipyridine ligand to afford heteroleptic ...

    • closedAccess   Photoluminescence and Photocatalytic properties of Ag3PO4 microcrystals: An Experimental and Theoretical investigation 

      Botelho, Gleice; Andres, Juan; Gracia, Lourdes; Matos, Leandro; Longo, Elson Wiley (2015-11-09)
      The structural, morphological, and optical properties of Ag3PO4 microcrystals were systematically characterized by using a combination of theoretical calculations and experimental techniques. These microcrystals were ...

    • openAccess   Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations 

      Gouveia, Amanda; Assis, Marcelo de; Ribeiro , Lara Kelly; Brandão Lima, Aline Estefany; de Oliveira Gomes, Eduardo; Souza, Daniele; Galvão Gobato, Yara; Rosa, Ieda; Luz Jr, Geraldo; Guillamón, Eva; Longo, Elson; Andres, Juan; San-Miguel, Miguel A. Elsevier (2022-10-15)
      In this work, the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+ cation (0.01 mol%, 0.02 mol%, 0.04 mol%, 0.06 mol%, 0.08 mol%, and 0.10 mol%) is discussed ...

    • closedAccess   Photoluminescence in quasi-amorphous Pb0.8X0.2Zr0.53Ti0.47O3 (X = Ca, Sr and Ba) powders: An optical and structural study 

      Longo, V. M.; Silva, M. S.; De Figueiredo, A. T.; Franco, R. W. A.; Vila, Carles; Cilense, Mário; Varela, José A.; Longo, Elson; Andres, Juan Elsevier (2009)
      Crystalline and quasi-amorphous PZT and PZT:X (X = Ca, Sr and Ba) powders were obtained by the polymeric precursor method. Electron paramagnetic resonance (EPR) and photoluminescence (PL) data suggest that the presence of ...

    • closedAccess   Photoluminescence of Ca10V6O25:Eu3+: A theoretical and experimental approach 

      Teixeira, Mayara Mondego; Pinatti, Ivo M; Laranjeira, José; da Silva Lopes Fabris, Guilherme; Daldin Teodoro, Marcio; Ieda L. V., Rosa; Simões, Alexandre; Andres, Juan; Sambrano, Julio; Longo, Elson Elsevier (2024-01-30)
      Ca10−xV6O25:xEu (x = 0%, 0.5%, 1%, 2%, 4%, and 8%) samples were synthesized by the microwave-assisted hydrothermal method at low temperature and short time. The corresponding structures were investigated by X-ray diffraction ...

    • closedAccess   Photoluminescence properties of cerium oxide nanoparticles as a function of lanthanum content 

      Deus, R.C.; Cortés, J.A.; Ramirez, M.A.; Ponce, Miguel Adolfo; Andres, Juan; Rocha, L.S.R.; Longo, Elson; Simões, Alexandre Elsevier (2015)
      The structural and photoluminescent properties at room temperature of CeO2 and La-doped CeO2 particles were undertaken. The obtained particles were synthesized by a microwave-assisted hydrothermal method (MAH) under different ...

    • openAccess   Photoluminescence Properties of Nanocrystals 

      Cavalcante, Laécio Santos; Sczancoski, Júlio César; Varela, José A.; Longo, Elson; Andres, Juan; Rout, S. K. Hindawi Publishing Corporation (2012)
      Photoluminescence (PL) is an optical phenomenon exhibited by some semiconductor materials when excited by an electromagnetic radiation source. After the excitation and recombination processes, these kinds of materials are ...

    • openAccess   Photoluminescence spectroscopy of trions in quantum dots: A theoretical description 

      Goldoni, Guido; Bertoni, Andrea; Climente, Juan I. American Physical Society (2008)
      We present a full configuration-interaction study of the spontaneous recombination of neutral and singly charged excitons trions in semiconductor quantum dots from weak- to strong-coupling regimes. We find that the ...

    • closedAccess   Photoluminescent behavior of SrZrO<sub>3</sub>/SrTiO<sub>3</sub> multilayer thin films 

      Moreira, Mario Lucio; Andres, Juan; Longo, V. M.; Li, Maximo Siu; Varela, José A.; Longo, Elson Elsevier (2009)
      A detailed investigation was made into the origin of photoluminescence in an alternate multilayer system of SrZrO<sub>3</sub> (SZO) and SrTiO<sub>3</sub> (STO) thin films. XRD and room-temperature PL studies revealed a ...

    • openAccess   Photoluminescent properties of ZrO2: Tm3+, Tb3+, Eu3+ powdersd-A combined experimental and theoretical study 

      Lovisa, L. X.; Andres, Juan; Gracia, Lourdes; Li, Maximo Siu; Paskocimas, C. A.; Bomio, M. R. D.; Araújo, Vinícius Dantas; Longo, Elson; Motta, F. V. Elsevier (2017-02)
      Rare-earth (RE) element-based materials for optical applications have received increasing attention owing to the emission properties of RE ions, which render these materials suitable for use in color displays, lasers, and ...

    • openAccess   Photolumiscent properties of nanorods and nanoplates Y2O3:Eu3+ 

      De Moura, Ana Paula; De Oliveira, Larissa Helena; Paris, Elaine Cristina; Siu Li, Maximo; Andres, Juan; Arana Varela, José; Longo, Elson; Rosa, Ieda Springer Verlag (2011)
      Nanorods and nanoplates of Y2O3:Eu3+ powders were synthesized through the thermal decomposition of the Y(OH)3 precursors using a microwave-hydrothermal method in a very short reaction time. These powders were analyzed by ...