Now showing items 1-20 of 43

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      Antibacterial and cytotoxic activities of new sphingolipids and other constituents isolated from Cissus incisa leaves 

      Nocedo Mena, Deyani; Rivas Galindo, Verónica M.; Navarro Villaverde, Patricia; Garza González, Elvira; González Maya, Leticia; Ríos, María Yolanda; García, Abraham; Ávalos Alanís, Francisco G.; Rodríguez Rodríguez, José; Camacho Corona, María del Rayo (Elsevier, 2020-08)
      Cissus incisa is used in traditional Mexican medicine to treat certain ailments, infectious or cancerous diseases. Excepting for our previous research, this species had no scientific reports validating its traditional use. ...
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      Characterization and Optimization of the Alkaline Hydrolysis of Polyacrylonitrile Membranes 

      Pérez Álvarez, Leyre; Ruiz Rubio, Leire; Moreno Benitez, María Isabel; Vilas Vilela, José Luis (MDPI, 2019-11-08)
      There is currently an increasing interest in the development of polyacrylonitrile (PAN)-based membranes with new and enhanced properties which are of special importance in the processes of pervaporation, purification, and ...
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      Chiral Bronsted Acid-Catalyzed Enantioselective alpha-Amidoalkylation Reactions: A Joint Experimental and Predictive Study, 

      Aranzamendi Uruburu, Eider; Arrasate Gil, Sonia; Sotomayor Anduiza, María Nuria; González Díaz, Humberto; Lete Expósito, María Esther (Wiley VCH, 2016-12)
      Enamides with a free NH group have been evaluated as nucleophiles in chiral Bronsted acid-catalyzed enantioselective alpha-amidoalkylation reactions of bicyclic hydroxylactams for the generation of quaternary stereocenters. ...
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      Complex Networks and Machine Learning: From Molecular to Social Sciences 

      Quesada, David; Cruz Monteagudo, Maykel; Fletcher, Terace; Duardo Sánchez, Aliuska; González Díaz, Humberto (MDPI, 2019-11)
      Combining complex networks analysis methods with machine learning (ML) algorithms have become a very useful strategy for the study of complex systems in applied sciences. Noteworthy, the structure and function of such ...
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      Data Analysis in Chemistry and Bio-Medical Sciences 

      Todeschini, Roberto; Pazos, Alejandro; Arrasate Gil, Sonia; González Díaz, Humberto (MDPI, 2016-12-14)
      There is an increasing necessity for multidisciplinary collaborations in molecular science between experimentalists and theoretical scientists, as well as among theoretical scientists from different fields. One of the more ...
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      Fluorinated carbohydrates as chemical probes formolecular recognition studies. Current statusand perspectives 

      Linclau, Bruno; Ardá, Ana; Reichardt, Niels Christian; Sollogoub, Matthieu; Unione, Luca; Vincent, Stéphane P.; Jiménez Barbero, Jesús (Royal Society of Chemistry, 2020-06-21)
      This review provides an extensive summary of the effects of carbohydrate fluorination with regard to changes in physical, chemical and biological properties with respect to regular saccharides. The specific structural, ...
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      Fluorinated Carbohydrates as Lectin Ligands: Simultaneous Screening of a Monosaccharide Library and Chemical Mapping by F-19 NMR Spectroscopy 

      Martínez, José Daniel; Manzano, Ana I.; Calviño, Eva; De Diego, Ana; Rodríguez de Francisco, Borja; Romanó, Cecilia; Oscarson, Stefan; Millet Aguilar-Galindo, Oscar; Gabius, Hans Joachim; Jiménez Barbero, Jesús; Cañada Vicinay, Francisco Javier (American Chemical Society, 2020-12-18)
      Molecular recognition of carbohydrates is a key step in essential biological processes. Carbohydrate receptors can distinguish monosaccharides even if they only differ in a single aspect of the orientation of the hydroxyl ...
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      Fluorine Labeling of Nanoparticles and In Vivo 19F Magnetic Resonance Imaging 

      Arango Rodríguez, Juan Manuel; Padró, Daniel; Blanco, Jorge; López Fernández, Sonia; Castellnou Arenas, Pilar; Villa Valverde, Palmira; Ruiz Cabello, Jesús; Martín Muñoz, Abraham; Carril García, Mónica (American Chemical Society, 2021-03-24)
      Fluorinated nanoparticles have increasing applications, but they are still challenging to prepare, especially in the case of water-soluble fluorinated nanoparticles. Herein, a fluorine labeling strategy is presented that ...
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      Galectin-4 N-Terminal Domain: Binding Preferences Toward A and B Antigens with Different Peripheral Core Presentations 

      Quintana García, Jon Imanol; Delgado, Sandra; Núñez Franco, Reyes; Cañada Vicinay, Francisco Javier; Jiménez Oses, Gonzalo; Jiménez Barbero, Jesús; Ardá, Ana (Frontiers Media, 2021-04-21)
      The tandem-repeat Galectin-4 (Gal-4) contains two different domains covalently linked through a short flexible peptide. Both domains have been shown to bind preferentially to A and B histo blood group antigens with different ...
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      Gene Prioritization, Communality Analysis, Networking and Metabolic Integrated Pathway to Better Understand Breast Cancer Pathogenesis 

      López Cortés, Andrés; Paz y Miño, César; Cabrera Andrade, Alejandro; Barigye, Stephen J.; Munteanu, Cristian R.; González Díaz, Humberto; Pazos, Alejandro; Pérez Castillo, Yunierkis; Tejera, Eduardo (Nature Publishing Group, 2018-11-12)
      Consensus strategy was proved to be highly efficient in the recognition of gene-disease association. Therefore, the main objective of this study was to apply theoretical approaches to explore genes and communities directly ...
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      Glycan structures and their interactions with proteins. A NMR view 

      Gimeno, Ana; Valverde, Pablo; Ardá, Ana; Jiménez Barbero, Jesús (Elsevier, 2019-12)
      Carbohydrate molecules are essential actors in key biological events, being involved as recognition points for cell-cell and cell-matrix interactions related to health and disease. Despite outstanding advances in cryoEM, ...
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      Glycans in drug discovery 

      Valverde, Pablo; Ardá, Ana; Reichardt, Niels Christian; Jiménez Barbero, Jesús; Gimeno, Ana (Royal Soc Chemistry, 2019-07-26)
      Glycans are key players in many biological processes. They are essential for protein folding and stability and act as recognition elements in cell-cell and cell-matrix interactions. Thus, being at the heart of medically ...
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      Glycosyl Oxocarbenium Ions: Structure, Conformation, Reactivity, and Interactions 

      Franconetti García, Antonio; Ardá, Ana; Asensio Álvarez, Juan Luis; Blériot, Yves; Thibaudeau, Sébastien; Jiménez Barbero, Jesús (American Chemical Society, 2021-06-01)
      Conspectus We also highlight that, from a chemical perspective, the glycosylation reaction can be described as a continuum, from unimolecular SN1 with naked oxocarbenium cations as intermediates to bimolecular SN2-type ...
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      Hypoxia Reduces Cell Attachment of SARS-CoV-2 Spike Protein by Modulating the Expression of ACE2, Neuropilin-1, Syndecan-1 and Cellular Heparan Sulfate 

      Prieto Fernández, Endika; Egia Mendikute, Leire; Vila Vecilla, Laura; Bosch, Alexandre; Barreira Manrique, Adrián; Lee, So Young; García del Río, Ana; Antoñana Vildosola, Asier; Jiménez Lasheras, Borja; Moreno Cugnon, Leire; Jiménez Barbero, Jesús; Berra Ramírez, Miren Edurne; Ereño Orbea, June; Palazón, Asís (Taylor & Francis, 2021-06-06)
      A main clinical parameter of COVID-19 pathophysiology is hypoxia. Here we show that hypoxia decreases the attachment of the receptor-binding domain (RBD) and the S1 subunit (S1) of the spike protein of SARS-CoV-2 to ...
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      Inter- and intramolecular enantioselective carbolithiation reactions 

      Gómez San Juan, Asier; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (Beilstein Institut, 2013-02)
      In this review we summarize recent developments in inter- and intramolecular enantioselective carbolithiation reactions carried out in the presence of a chiral ligand for lithium, such as (-)-sparteine, to promote facial ...
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      Mechanistic Insights in the Mode of Action of Bifunctional Pyrrolidine-Squaramide-derived Organocatalysts 

      Roca-López, David; Jørgensen, Karl Anker; Merino, Pedro; Uria Pujana, Uxue; Reyes Martín, Efraim; Carrillo Fernández, María Luisa; Vicario Hernando, José Luis (Wiley-VCH, 2016)
      The modes of catalytic action of three squaramide-derived bifunctional organocatalysts have been investigated using DFT methods. The [5+2] cycloaddition between oxidopyrilium ylides and enals has been used as model ...
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      Metal-Organic Frameworks and Zeolite Materials As Active Fillers for Lithium-Ion Battery Solid Polymer Electrolytes ‪ 

      Barbosa, Joao C.; Gonçalves, Renato; Costa, Carlos M.; De Zea Bermudez, Verónica; Fidalgo Marijuan, Arkaitz; Zhang, Qi; Lanceros Méndez, Senentxu (Royal Society Of Chemistry, 2021-06-21)
      The efforts to decarbonize the economies, with particular focus on renewable energies, must be accompanied by the development of more efficient and environmentally friendlier energy storage systems. In this context, all ...
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      Molecular Recognition in C-Type Lectins: The Cases of DC- SIGN, Langerin, MGL, and L-Sectin 

      Valverde, Pablo; Martínez, J. Daniel; Cañada, F. Javier; Ardá, Ana; Jiménez Barbero, Jesús (2020-11-02)
      Carbohydrates play a pivotal role in intercellular communication processes. In particular, glycan antigens are key for sustaining homeostasis, helping leukocytes to distinguish damaged tissues and invading pathogens from ...
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      Mono and Di-Fucosylated Glycans of the Parasitic Worm S. Mansoniare Recognized Differently by the Innate Immune Receptor DC-SIGN 

      Srivastava, Apoorva D.; Unione, Luca; Wolfert, Margreet A.; Valverde, Pablo; Ardá, Ana; Jiménez Barbero, Jesús; Boons, Geert-Jan (Wiley, 2020-12-01)
      The parasitic worm,Schistosoma mansoni, expresses unusual fucosylated glycans in a stage-dependent manner that can be recognized by the human innate immune receptor DC-SIGN, thereby shaping host immune responses. We have ...
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      Naphthyl-Containing Organophosphonate Derivatives of Keggin-Type Polyoxotungstates 

      Andino, Nerea; Artetxe Arretxe, Beñat; Reinoso Crespo, Santiago; Vitoria García, Pablo; San Felices Mateos, Leire; Martínez, José Ignacio; López Arbeloa, Fernando; Gutiérrez Zorrilla López, Juan Manuel (MDPI, 2016-06)
      New organophosphonate derivatives of monovacant Keggin-type polyoxotungstates that contain naphthyl groups have been synthesized and characterized in both solid state and solution. Single-crystal structural analysis shows ...