Now showing items 61-80 of 978

    Exploring the computational design of anionic spin-crossover systems 

    Navarro Maestro, Laia; Cirera Fernández, Jordi (2023-05-05)

    In this work, a systematic study on how the ligand design in the anionic spin-crossover system [Fe(OEt-L1-pH)(NCS)3]− can be used to achieve a high degree of tuning of its transition temperature (T1/2) is presented. Our ...

    Platinum (II) and palladium (II) complexes with (N,N') and (C,N,N') ligands derived from pyrazole as anticancer and antimalarial agents: synthesis, characterization and in vitro activities 

    Quirante Serrano, Josefina; Ruiz, Daniel; González Gazulla, Asensio; López Martínez, Ma. Concepción; Cascante i Serratosa, Marta; Cortés Giràldez, Roldàn; Messeguer i Peypoch, Ramon; Calvis, Carme; Baldomà Llavinés, Laura; Pradines, Bruno; Pascal, Aurélie; Guérardel, Yann; Font Bardia, Ma. Mercedes; Calvet Pallàs, Maria Teresa; Biot, Christophe (2014-02-04)

    The study of the reactivity of three 1-(2-dimethylaminoethyl)-1H-pyrazole derivatives of general formula [1-(CH2)2NMe2}-3,5-R2-pzol] {where pzol represents pyrazole and Rdouble bond; length as m-dashH (1a), Me (1b) or Ph ...

    Controlled 3D-coating of the pores of highly ordered mesoporous antiferromagnetic Co3O4 replicas with ferrimagnetic FexCo3-xO4 nanolayers 

    Pellicer Vilà, Eva M. (Eva Maria); Cabo, Moisés; López-Ortega, Alberto; Estrader i Bofarull, Marta; Yedra Cardona, Lluís; Estradé Albiol, Sònia; Peiró Martínez, Francisca; Saghi, Zineb; Midgley, Paul A.; Rossinyol Casals, Emma; Golosovsky, Igor V.; Mayoral, Alberto; Prades García, Juan Daniel; Suriñach, Santiago (Suriñach Cornet); Baró, M. D.; Sort, Jordi; Nogués, Josep (2020-04-03)

    The controlled filling of the pores of highly ordered mesoporous antiferromagnetic Co3O4 replicas with ferrimagnetic FexCo3-xO4 nanolayers is presented as a proof-of-concept toward the integration of nanosized units in ...

    Robust antiferromagnetic coupling in hard-soft bi-magnetic core/shell nanoparticles 

    Estrader i Bofarull, Marta; López-Ortega, Alberto; Estradé Albiol, Sònia; Golosovsky, Igor V.; Salazar-Alvarez, German; Vasilakaki, Marianna; Trohidou, Kalliopi N.; Varela, María; Stanley, D.C.; Sinko, M.; Pechan, M.J.; Keavney, D.J.; Peiró Martínez, Francisca; Suriñach, Santiago (Suriñach Cornet); Baró, M. D.; Nogués, Josep (2021-04-21)

    The growing miniaturization demand of magnetic devices is fuelling the recent interest in bi-magnetic nanoparticles as ultimate small components. One of the main goals has been to reproduce practical magnetic properties ...

    Supported -Complexes of LiC Bonds from Coordination of Monomeric Molecules of LiCH3, LiCH2CH3 and LiC6H5 to MoMo Bonds 

    Pérez Jiménez, Marina; Campos, Jesús; Jover Modrego, Jesús; Álvarez, Santiago (Álvarez Reverter); Carmona Guzmán, Ernesto (2022-04-11)

    LiCH3 and LiCH2CH3 react with the complex [Mo2(H)2(μ-AdDipp2)2(thf)2] (1⋅thf) with coordination of two molecules of LiCH2R (R=H, CH3) and formation of complexes [Mo2{μ-HLi(thf)CH2R}2(AdDipp2)2], 5⋅LiCH3 and 5⋅LiCH2CH3, ...

    Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data 

    Teixeira, Joao M. C.; Skinner, Simon P.; Arbesú Andrés, Miguel; Breeze, Alexander L.; Pons Vallès, Miquel (2019-07-30)

    We present Farseer-NMR (https ://git.io/vAueU), a software package to treat, evaluate and combine NMR spectroscopic data from sets of protein-derived peaklists covering a range of experimental conditions. The combined ...

    Multi-phosphorylation of the intrinsically disordered unique domain of c-Src studied by in-cell and real-time NMR 

    Amata, Irene; Maffei, Mariano, 1985-; Igea, Ana; Gay i Marín, Marina; Vilaseca Casas, Marta; Nebreda, Àngel R.; Pons Vallès, Miquel (2019-07-30)

    Intrinsically disordered regions (IDRs) are preferred sites for post-translational modifications essential for regulating protein function. The enhanced local mobility of IDRs facilitates their observation by NMR spectroscopy ...

    Extending the substrate scope in the hydrogenation of unfunctionalized tetrasubstituted olefins with Ir-P stereogenic aminophosphine-oxazoline catalysts 

    Biosca, Maria; Salomó i Prat, Ernest; Cruz Sánchez, Pol de la; Riera i Escalé, Antoni; Verdaguer i Espaulella, Xavier; Pàmies, Oscar; Diéguez, Montserrat (2019-03-01)

    Air stable and readily available Ir-catalyst precursors modified with MaxPHOX-type ligands have been successfully applied in the challenging asymmetric hydrogenation of tetrasubstituted olefins under mild reaction conditions. ...

    A direct, efficient method for the preparation of siRNAs containing ribo like North [3.1.0]hexane pseudosugars 

    Terrazas Martínez, Montserrat; Aviñó Andrés, Anna; Siddiqui, Maqbool A.; Marquez, Victor E.; Eritja i Casadellà, Ramon (2021-08-31)

    An efficient method for the preparation of siRNAs modified with ribo-like North bicyclo[3.1.0]hexane pseudosugars is described. The combined use of 2'-O-(2-cyanoethoxymethyl) (CEM) and 2'-O-TBDMS protection was successfully ...

    Alkynyl gold(I) phosphane complexes: evaluation of structure-activity-relationships for the phosphane ligands, effects on key signaling proteins and preliminary in-vivo studies with a nanoformulated complex 

    Andermark, Vincent; Göke, Katrin; Kokoschka, Malte; Abu el Maaty, Mohamed; Lumg, Chin Tung; Zoug, Taotao; Sun, Raymond Wai-Tin; Aguiló Linares, Elisabet; Oehninger, Luciano; Rodríguez Raurell, Laura; Bunjes, Heike; Wölfl, Stefan; Cheg, Chi-Ming; Ott, Ingo (2020-03-11)

    The synthesis and characterization of four organometallic gold(I) complexes containing different water soluble phosphanes (TPPTS, PTA and DAPTA) and chromophoric units (4-pyridylethynyl and propargyloxycoumarin) is here ...

    Thermodynamic stability of heterodimetallic [LnLn] complexes: synthesis and DFT studies 

    González Fabra, Joan; Bandeira, Nuno A. G.; Velasco Amigó, Verónica; Barrios Moreno, Leoní Alejandra; Aguilà Avilés, David; Teat, Simon J.; Roubeau, Olivier; Bo, Carles; Aromí Bedmar, Guillem (2020-03-25)

    The solid-state and solution configurations of the heterodimetallic complexes (Hpy)[LaEr(HL)(3)(NO3)(py)(H2O)] (1), (Hpy)[CeEr(HL)(3)(NO3)(py)(H2O)] (2), (Hpy)[CeGd(HL)(3)(NO3)(py)(H2O)] (3), (Hpy)[PrSm(HL)(3)(NO3)(py)(H2O)] ...

    Au-assisted growth of anisotropic and epitaxial CdSe colloidal nanocrystals via in-situ dismantling of quantum dots 

    Fernàndez Altable, Víctor; Dalmases Solé, Mariona; Falqui, Andrea; Casu, Alberto; Torruella Besa, Pau; Estradé Albiol, Sònia; Peiró Martínez, Francisca; Figuerola i Silvestre, Albert (2020-04-03)

    The optimization of a material functionality requires both the rational design and precise engineering of its structural and chemical parameters. In this work, we show how colloidal chemistry is an excellent synthetic ...

    Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks 

    Cirera Fernández, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz Sabín, Eliseo (2020-04-01)

    The design of new polynuclear transition metal complexes showing large total spin values through parallel alignment of the spins is an important challenge due to the scarcity of bridging ligands that provide ferromagnetic ...

    Total synthesis of (-)-isoavenaciolide 

    Santos, David; Ariza Piquer, Xavier; García Gómez, Jordi; Lloyd-Williams, Paul; Martínez Laporta, Agustín; Sánchez Zarzalejo, Carolina (2013-05-21)

    An enantioselective approach to (-)-isoavenaciolide was achieved starting from 1- undecyn-3-ol. The synthesis relied upon the preparation of a chiral 4-silyloxy-2-alkenylborane by hydroboration of a protected 2,3-allenol ...

    Bromotryptophans and their incorporation in cyclic and bicyclic privileged peptides 

    García Pindado, Júlia; Willemse, Tom; Goss, Rebecca; Maes, Bert U. W.; Giralt Lledó, Ernest; Ballet, Steven; Teixidó Turà, Meritxell (2018-03-23)

    While revisiting biologically active natural peptides, the importance of the tryptophan residue became clear. In this article, the incorporation of this amino acid, brominated at different positions of the indole ring, ...

    Highly Enantioselective Iridium-Catalyzed Hydrogenation of Cyclic Enamides 

    Salomó i Prat, Ernest; Orgué Gassol, Sílvia; Riera i Escalé, Antoni; Verdaguer i Espaulella, Xavier (2016-09-20)

    The MaxPHOX-Ir catalyst system provided the highest selectivity ever reported for the redn. of cyclic enamides derived from α- and β-tetralones. This result indicates that iridium catalysts are also proficient in reducing ...

    New Visible-Light-Sensitive Dicyanocoumarin- andCOUPY-Based Caging Groups with ImprovedPhotolytic Efficiency 

    López-Corrales, Marta; Marchán Sancho, Vicente (2025-05-23)

    Photolabile protecting groups (PPGs), also known as caging groups, are valuable tools in photopharmacology. They enable precise control over the release of bioactive compounds from the corresponding caged compounds at a ...

    Intramolecular fuzzy interactions involving intrinsically disordered domains 

    Arbesú Andrés, Miguel; Iruela Martín, Guillermo; Fuentes, Héctor; Teixeira, Joao M. C.; Pons Vallès, Miquel (2019-07-24)

    Structural disorder is an essential ingredient for function in many proteins and protein complexes. Fuzzy complexes describe the many instances where disorder is maintained as a critical element of protein interactions. ...

    An overview of nanomedicines for neuron targeting 

    García-Chica, Jesús; Paraiso, West Kristian D.; Tanabe, Shihori; Serra i Cucurull, Dolors; Herrero Rodríguez, Laura; Casals, Núria; García Gómez, Jordi; Ariza Piquer, Xavier; Quader, Sabina; Rodríguez Rodríguez, Rosalía (2020-07-23)

    Medical treatments of neuron-related disorders are limited due to the difficulty of targeting brain cells. Major drawbacks are the presence of the blood-brain barrier and the lack of specificity of the drugs for the diseased ...

    Helix fraying and lipid-dependent structure of a short amphipathic membrane-bound peptide revealed by solid-state NMR 

    Strandberg, Erik; Grau Campistany, Ariadna; Wadhwani, Parvesh; Buerck, Jochen; Rabanal Anglada, Francesc; Ulrich, Anne S. (2020-06-03)

    The amphipathic a-helical peptide KIA14 [(KIAGKIA)(2)-NH2] was studied in membranes using circular dichroism and solid-state NMR spectroscopy to obtain global as well as local structural information. By analyzing H-2 NMR ...