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  • Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions

     Acosta Reyes, Francisco Javier; Subirana, Juan Antonio; Sanchez-Giraldo, Raquel; Pous, Joan; Saperas Plana, Nuria; Malinina, Lucy; Campos Lopez, Josefa de Lourdes
    AUSE Conference
    Presentation's date: 2013-09
    Presentation of work at congresses

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  • Structure vs. properties¿chirality, optics and shapes¿in amphiphilic porphyrin J-aggregates

     El-Hachemi Metni, Zoubir; Escudero, Carlos; Acosta Reyes, Francisco Javier; Casas Becerra, M. Teresa; Aloni, Shaul; Oncins, Gerard; Sorrenti, Alessandro; Crusats Aliguer, Joaquim; Ribó Trujillo, Josep M.; Campos Lopez, Josefa de Lourdes
    Journal of materials chemistry C
    Date of publication: 2013-03-28
    Journal article

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    The structure of the meso-tetrakis(4-sulfonatophenyl)porphyrin (TPPS4) J-aggregates could be determined by X-ray and electron diffraction methods. A sheet-like architecture reveals the relationship between structure and chirality, optics and shapes of the J-aggregates of the meso 4-sulfonatophenyl- and phenyl-substituted porphyrins. The structure of the J-aggregates of H4TPPS4 belongs to the chiral space group P21 and includes four porphyrin molecules in its unit cell. The intermolecular stabilization of the zwitterionic units by hydrogen bonding and electrostatic interactions between the positively charged central NH groups and the periphery anionic sulfonato groups results in a structure of porphyrins sheets along the [[1 with combining macron]01] plane direction. The structure of the sheet on the [[1 with combining macron]01] plane is already chiral and its molecular architecture explains the simultaneous presence of H- and J-aggregate bands in their absorption spectra. This structure also accounts for the high similarity observed between the absorption spectra of different mesomorphs of the same substance and even between different members of the series of meso-4-sulfonatophenyl- and aryl-substituted diprotonated porphyrins. The possibility, or not, of the sheet-like structure on [[1 with combining macron]01] to interact with other layers, either through ionic or hydrophobic interactions, depends on the substitution pattern at the meso-positions of the porphyrin ring. Thus, the different morphologies of the particles [mono- bi- and multilayered] of this series of J-aggregates are explained taking into account the role that the fourth meso-substituent plays in the interlayer stabilization. The results suggest that supramolecular helicity, previously detected in several J-aggregates, is not the explanation of their chirality but would be the expression of the intrinsic chirality of the packing between building blocks.

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    Crystal structure of a complex of DNA with one AT-hook of HMGA1  Open access

     Fonfria Subiros, Elsa; Acosta Reyes, Francisco Javier; Saperas Plana, Nuria; Pous, Joan; Subirana Torrent, Juan Antonio; Campos Lopez, Josefa de Lourdes
    PLoS One
    Date of publication: 2012-05-16
    Journal article

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    We present here for the first time the crystal structure of an AT-hook domain. We show the structure of an AT-hook of the ubiquitous nuclear protein HMGA1, combined with the oligonucleotide d(CGAATTAATTCG)2, which has two potential AATT interacting groups. Interaction with only one of them is found. The structure presents analogies and significant differences with previous NMR studies: the AT-hook forms hydrogen bonds between main-chain NH groups and thymines in the minor groove, DNA is bent and the minor groove is widened.

  • CARACTERIZACIÓN ESTRUCTURAL DE COMPLEJOS DE FÁRMACOS, PÉPTIDOS Y PROTEINAS CON ADN 100% AT

     Saperas Plana, Nuria; Subirana Torrent, Juan Antonio; Chiva, Manel; Sanchez-Giraldo, Raquel; Acosta-Reyes, Francisco Javier; Fonfria-Subiros, Elsa; Acosta Reyes, Francisco Javier; Fonfria Subiros, Elsa; Sanchez Giraldo, Raquel; Millan Elias, Cinthia Raquel; Campos Lopez, Josefa de Lourdes
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