Mostrando ítems 1-20 de 978

    Crystallographic and Computational Analysis of Oxyma B Cocrystals with Nitrogen-Containing Coformers: The Relevant Role of <em>n</em> → π* Interactions in Their Diverse Supramolecular Architectures 

    Jemai, Mahdi; Barbas Cañero, Rafael; Barceló-Oliver, Miquel; Marouani, Houda; Albericio Palomera, Fernando; Frontera, Antonio; Prohens López, Rafael (2025-10-30)

    Three new cocrystals of Oxyma-B, an important racemization suppressor for peptide synthesis, with 6-methylquinoline (I), 2,3,5,6-tetramethylpyrazine (II), and 1,10-phenanthroline (III) were synthesized and their single ...

    Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones 

    Gómez-Mudarra, Francisco A.; Aullón López, Gabriel; Jover Modrego, Jesús (2025-11-05)

    Fluoroalcohols are a class of organic compounds containing one or more fluorine atoms together with an alcohol group in their molecular structure. These fluorinated species have a wide range of applications due to their ...

    Kinetico-mechanistic insights into the photodynamic process of AuI complexes with the CNC6H4NNC6H5 (iso-Ph) azobenzene ligand 

    Raïch Panisello, Ot; Jover Modrego, Jesús; Puigjaner, Cristina; Ferrer García, Montserrat; Martínez López, Manuel, 1957- (2025-10-17)

    A family of neutral isocyanide monoazo AuI complexes [AuCl(iso-Ph)], [Au(C6F5)(iso-Ph)] and [Au(C[triple bond, length as m-dash]Cpy)(iso-Ph)] (iso-Ph being CN–C6H4–N[double bond, length as m-dash]N–Ph) and a closely related ...

    Confronting positions: para- vs. meta-functionalization in triindole for p-type air-stable OTFTs 

    Cuadrado Santolaria, Alba; Bujaldón Carbó, Roger; Fabregat, Clara; Puigdollers i González, Joaquim; Velasco Castrillo, Dolores (2025-10-13)

    The 5,10,15-trihexyl-10,15-dihydro-5H-diindolo[3,2-a:3′,2′-c]carbazole core, namely triindole, is well-known for its prominent hole-transporting properties and air stability. The functionalization of this core is also ...

    Multi-Length Scale Communication Effects in Catalysis: Thinking Big and Acting Small 

    Moyano i Baldoire, Albert; Crusats i Aliguer, Joaquim (2025-04-24)

    The use of hierarchically structured materials as catalysts has been finding increasing application in the past years. For these catalytic systems, not only the nano-scale matters: a high degree of order across multiple ...

    MAF amplification licenses ERα through epigenetic remodelling to drive breast cancer metastasis.  

    Llorente Lope, Alicia; Blasco, M. T.; Espuny, Irene; Guiu, Marc; Ballaré, C.; Blanco, E.; Caballé, A.; Bellmunt, Anna; Salvador, F.; Morales, A.; Nuñez, M.; Loren, Guillem; Imbastari, Francesca; Fidalgo, Marta; Figueras-Puig, Cristina; Gibler, Patrizia; Graupera, M.; Monteiro, F.; Riera i Escalé, Antoni; Holen, I.; Avgustinova, A.; Di Croce, L.; Gomis, R. R. (2025-02-21)

    MAF amplification increases the risk of breast cancer (BCa) metastasis through mechanisms that are still poorly understood yet have important clinical implications. Oestrogen-receptor-positive (ER+) BCa requires oestrogen ...

    Peptide-Platinum(IV) Conjugation Minimizes the Negative Impact of Current Anticancer Chemotherapy on Nonmalignant Cells 

    Linares, Jenniffer; Varese, Monica; Sallent, Anna; Méndez, Ana; Palomo-Ponce, Sergio; Iglesias, Mar; Batlle, Eduard; Pisonero, Jorge; Montagut, Clara; Giralt Lledó, Ernest; Lo Re, Daniele; Calon, Alexandre (2024-12-05)

    The relative success of platinum (Pt)-based chemotherapycomes at the cost of severe adverse side effects and is associated with a highrisk of pro-oncogenic activation in the tumor microenvironment. Here, wereport the ...

    Cyclometallated Imides as Templates for the H-Bond Directed Iridium-Catalyzed Asymmetric Hydrogenation of N-Methyl, N-Alkyl and N-Aryl Imines.  

    Wen, Y.; Fernández-Sabaté, M.; Lledós, Agustí (Lledós i Falcó); Sciortino, Giuseppe; Eills, James; Marco Rius, Irene; Riera i Escalé, Antoni; Verdaguer i Espaulella, Xavier (2024-10-09)

    A combined computational and experimental approach allowed us to develop overall the most selective catalyst for the direct hydrogenation of N-methyl, N-alkyl and N-aryl imines described to date. Iridium catalysts with a ...

    Behaviour of Pt/TiO2 catalysts with different morphological and structural characteristics in the photocatalytic conversion of ethanol aqueous solutions 

    Cordoba Sola, Alberto; Ramírez de la Piscina, Pilar; Homs Martí, Narcís (2024-02-06)

    Pt/TiO2 catalysts with a similar Pt dispersion and different morphological and structural characteristics were prepared, characterized and used in the photocatalytic transformation of aqueous ethanol solutions at room ...

    Behaviour of Pt/TiO2 catalysts with different morphological and structural characteristics in the photocatalytic conversion of ethanol aqueous solutions 

    Cordoba Sola, Alberto; Ramírez de la Piscina, Pilar; Homs Martí, Narcís (2024-02-06)

    Pt/TiO2 catalysts with a similar Pt dispersion and different morphological and structural characteristics were prepared, characterized and used in the photocatalytic transformation of aqueous ethanol solutions at room ...

    Behaviour of Pt/TiO2 catalysts with different morphological and structural characteristics in the photocatalytic conversion of ethanol aqueous solutions 

    Cordoba Sola, Alberto; Ramírez de la Piscina, Pilar; Homs Martí, Narcís (2024-02-06)

    Pt/TiO2 catalysts with a similar Pt dispersion and different morphological and structural characteristics were prepared, characterized and used in the photocatalytic transformation of aqueous ethanol solutions at room ...

    Commented chronology of crystallography and structural chemistry 

    Cuevas Diarte, Miguel Ángel; Álvarez, Santiago (Álvarez Reverter) (2018-03-12)

    Podeu consultar la versió en català a: http://hdl.handle.net/2445/116604 i la versió en castellà a: http://hdl.handle.net/2445/120607

    Influence of the disposition of the anisotropy axes into the magnetic properties of Mn-III dinuclear compounds with benzoato derivative bridges 

    Garcia Cirera, Beltzane; Gómez Coca, Silvia; Font Bardia, Ma. Mercedes; Ruiz Sabín, Eliseo; Corbella i Cordomí, Montserrat (2020-04-01)

    The two new Mn-III dinudear compounds [{Mn-(H2O)(phen)}(2)(mu-4-CH3C6H4COO)(2)(mu-O)](ClO4)(2)center dot 3CH(3)CN center dot H2O (1.3CH(3)CN center dot H2O) and [{Mn(H2O)(phen)}(mu-O)](mu-2-BrC6H4COO)(2){Mn(NO3)(phen)}]NO3 ...

    Exploring the 3-(phenylethynyl)-9H-carbazole unit in the search of deep-blue emitting fluorophores 

    Bujaldón Carbó, Roger; Perinka, Nikola; Reig Canyelles, Marta; Cuadrado Santolaria, Alba; Fabregat, Clara; Bardia, Ma. Mercedes; Martínez-Ferrero, Eugenia; Velasco Castrillo, Dolores (2022-02-25)

    Two new types of molecular constructions based on the 3-(phenylethynyl)-9H-carbazole moiety have been developed. Specifically, the synthesized bicarbazole and triethynylbenzene derived fluorophores display emission ranging ...

    Luminescence studies of new [C,N,N'] cyclometallated platinum(II) and platinum(IV) compounds 

    Lázaro, Ariadna; Serra, Oriol; Rodríguez Raurell, Laura; Crespo Vicente, Margarita Ma.; Font Bardia, Ma. Mercedes (2020-03-13)

    The synthesis of six novel cyclometallated platinum(IV) compounds (3a-3c and 4a-4c) derived from ligand (4-FC6H4)CH=N(CH2)3N(CH3)2 (L) was achieved by intermolecular oxidative addition of halogens to cyclometallated ...

    A new quinoxaline-containing peptide induces apoptosis in cancer cells by autophagy modulation 

    Zamudio Vázquez, Rubí; Ivanova, Saška; Moreno, Miguel; Hernández-Alvarez, María Isabel; Giralt Lledó, Ernest; Bidon-Chanal Badia, Axel; Zorzano Olarte, Antonio; Albericio Palomera, Fernando; Tulla-Puche, Judit (2020-05-04)

    The synthesis of a new small library of quinoxaline-containing peptides is described. After cytotoxic evaluation in four human cancer cell lines, as well as detailed biological studies, it was found that the most active ...

    Space and momentum representation analysis of Hartman's effect in wave packet transmission 

    González, M. F.; Bofill i Villà, Josep M.; Giménez i Font, Xavier; Borondo, F. (2009-10-08)

    The Hartman effect is analyzed in both the position and momentum representations of the problem. The importance of Wigner tunneling and deep tunneling is singled out. It is shown quantitatively how the barrier acts as a ...

    Photocontrol of endogenous glycine receptors in vivo 

    Gomila, Alexandre MJ; Rustler, Karin; Maleeva, Galyna; Nin-Hill, Alba; Wutz, Daniel; Bautista-Barrufet, Antoni; Rovira, Xavier; Bosch, Miquel; Mukhametova, Elvira; Petukhova, Elena; Ponomareva, Daria; Mukhamedyarov, Marat; Peiretti, Franck; Alfonso Prieto, Mercedes; Rovira i Virgili, Carme; König, Burkhard; Bregestovski, Piotr; Gorostiza, Pau (2024-10-10)

    Glycine receptors (GlyRs) are indispensable for maintaining excitatory/inhibitory balance in neuronal circuits that control reflexes and rhythmic motor behaviors. Here we have developed Glyght, a GlyR ligand controlled ...

    Kineticomechanistic study of the redox pH cycling processes occurring on a robust water-soluble cyanido-bridged mixed-valence {CoIII/FeII}2 square 

    Alcázar, Laura; Bernhardt, Paul V.; Ferrer García, Montserrat; Font Bardia, Ma. Mercedes; Gallen Ortiz, Albert; Jover Modrego, Jesús; Martínez López, Manuel, 1957-; Peters, Jack; Zerk, Timothy J. (2019-10-24)

    A kineticomechanistic study of reversible electron-transfer processes undergone by the water-soluble, cyanido-bridged mixed-valence [{CoIII{(Me)2(μ-ET)cyclen}}2{(μ-NC)2FeII(CN)4}2]2- square has been carried out. The oxidation ...

    Stereoselective alkylation of (S)-N-acyl-4-isopropyl-1,3-thiazolidine-2-thiones catalyzed by (Me3P)2NiCl2 

    Fernandez-Valparis, Javier; Romo Fernández, Juan Manuel; Romea, Pedro; Urpí Tubella, Fèlix; Kowalski, Hubert; Font Bardia, Ma. Mercedes (2020-06-06)

    The structurally simple (Me3P)2NiCl2 complex catalyzes SN1-type alkylations of chiral N-acyl thiazolidinethiones with diarylmethyl methyl ethers and other stable carbenium cations. The former can contain a variety of ...