• Article  

      Biological charge transfer via flickering resonance 

      Zhang, Y.; Liu, C.; Balaeff, A.; Skourtis, Spiros S.; Beratan, David N. (2014)
      Biological electron-transfer (ET) reactions are typically described in the framework of coherent two-state electron tunneling or multistep hopping. However, these ET reactions may involve multiple redox cofactors in van ...
    • Article  

      Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors 

      Benltifa, Mahmoud; Hayes, Joseph M.; Vidal, Sébastien; Gueyrard, David; Goekjian, Peter G.; Praly, Jean Pierre; Kizilis, Gregory; Tiraidis, Costas; Alexacou, Kyra Melinda; Chrysina, Evangelia D.; Zographos, Spyros E.; Leonidas, Demetres D.; Archontis, Georgios Z.; Oikonomakos, Nikos G. (2009)
      A series of glucopyranosylidene-spiro-isoxazolines was prepared through regio- and stereoselective [3+2]-cycloaddition between the methylene acetylated exo-glucal and aromatic nitrile oxides. The deprotected cycloadducts ...
    • Article  

      Glycogen phosphorylase inhibitors: A free energy perturbation analysis of glucopyranose spirohydantoin analogues 

      Archontis, Georgios Z.; Watson, K. A.; Xie, Q.; Andreou, Georgia; Chrysina, Evangelia D.; Zographos, Spyros E.; Oikonomakos, Nikos G.; Karplus, M. (2005)
      GP catalyzes the phosphorylation of glycogen to Glc-1-P. Because of its fundamental role in the metabolism of glycogen, GP has been the target for a systematic structure-assisted design of inhibitory compounds, which could ...
    • Article  

      Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase 

      Watson, K. A.; Chrysina, Evangelia D.; Tsitsanou, K. E.; Zographos, Spyros E.; Archontis, Georgios Z.; Fleet, G. W. J.; Oikonomakos, Nikos G. (2005)
      Glycogen phosphorylase (GP) is currently exploited as a target for inhibition of hepatic glycogenolysis under high glucose conditions. Spirohydantoin of glucopyranose and N-acetyl-β-D-glucopyranosylamine have been identified ...
    • Article  

      Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined 

      Bischler, N.; Hayes, Joseph M.; Skamnaki, Vicky T.; Archontis, Georgios Z.; Lamprakis, Christos; Sarrou, Josephine; Skaltsounis, Alexios Leandros; Zographos, Spyros E.; Oikonomakos, Nikos G. (2011)
      With an aim toward glycogenolysis control in Type 2 diabetes, we have investigated via kinetic experiments and computation the potential of indirubin (IC 50 > 50 μM), indirubin-3'-oxime (IC 50 = 144 nM), KT5720 (K i = 18.4 ...
    • Conference Object  

      New data on the differential cross section of the dp-elastic scattering at 2.5 GeV obtained with HADES detector 

      Agakishiev, G.; Behnke, C.; Belver, D.; Belyaev, A.; Berger-Chen, J. C.; Blanco, A.; Blume, C.; Böhmer, M.; Cabanelas, Pablo; Chernenko, S.; Dritsa, Christina; Dybczak, A.; Epple, E.; Fabbietti, L.; Fateev, O.; Fonte, P.; Friese, J.; Fröhlich, I.; Galatyuk, T.; Garzón, J. A.; Gill, K.; Golubeva, M.; González-Díaz, D.; Guber, F.; Gumberidze, M.; Harabasz, S.; Hennino, T.; Holzmann, R.; Huck, P.; Höhne, C.; Ierusalimov, A.; Ivashkin, A.; Jurkovic, M.; Kämpfer, B.; Karavicheva, T.; Koenig, I.; Koenig, W.; Kolb, B. W.; Korcyl, G.; Kornakov, G.; Kotte, R.; Krása, Antonín; Krebs, E.; Krizek, F.; Kuc, H.; Kugler, A.; Kurepin, A.; Kurilkin, A.; Kurilkin, P.; Ladygin, V.; Lalik, R.; Lang, S.; Lapidus, K.; Lebedev, A.; Lopes, L.; Lorenz, M.; Maier, L.; Mangiarotti, A.; Markert, J.; Metag, V.; Michel, J.; Müntz, C.; Münzer, R.; Naumann, L.; Palka, M.; Parpottas, Yiannis; Pechenov, V.; Pechenova, O.; Pietraszko, J.; Przygoda, W.; Ramstein, B.; Rehnisch, L.; Reshetin, A.; Rustamov, A.; Sadovsky, A.; Salabura, P.; Scheib, T.; Schuldes, H.; Siebenson, J.; Sobolev, Yu G.; Spataro, S.; Ströbele, H.; Stroth, J.; Strzempek, P.; Sturm, C.; Svoboda, O.; Tarantola, A.; Teilab, K.; Tlusty, P.; Traxler, M.; Tsertos, Haralambos; Vasiliev, T.; Wagner, V.; Weber, M.; Wendisch, C.; Wüstenfeld, J.; Yurevich, S.; Zanevsky, Y. (Proceedings of Science (PoS), 2012)
      New results on the differential cross section in deuteron-proton elastic scattering are obtained at the deuteron kinetic energy of 2.5 GeV with the HADES spectrometer. The angular range of 69°-125° in the center of mass ...
    • Conference Object  

      Study of the pp → npπ+ reaction at 1.25 GeV with HADES 

      Krücken, R.; Liu, T.; Agakishiev, G.; Agodi, C.; Bałanda, A.; Bellia, G.; Belver, D.; Belyaev, A.; Blanco, A.; Böhmer, M.; Boyard, J. L.; Braun-Munzinger, P.; Cabanelas, Pablo; Castro, E.; Christ, T.; Destefanis, M.; Diáz, J.; Dohrmann, F.; Dybczak, A.; Fabbietti, L.; Fateev, O.; Finocchiaro, P.; Fonte, P.; Friese, J.; Fröhlich, I.; Galatyuk, T.; Garzón, J. A.; Gernhäuser, R.; Gil, A.; Gilardi, C.; Golubeva, M.; González-Díaz, D.; Grosse, E.; Guber, F.; Heilmann, M.; Hennino, T.; Holzmann, R.; Ierusalimov, A.; Iori, I.; Ivashkin, A.; Jurkovic, M.; Kämpfer, B.; Kanaki, K.; Karavicheva, T.; Kirschner, D.; Koenig, I.; Koenig, W.; Kolb, B. W.; Kotte, R.; Kozuch, A.; Krása, Antonín; Křížek, F.; Kühn, W.; Kugler, A.; Kurepin, A.; Lamas-Valverde, J.; Lang, S.; Lange, J. S.; Lapidus, K.; Lopes, L.; Lorenz, M.; Maier, L.; Mangiarotti, A.; Marín, J.; Marker, J.; Metag, V.; Michalska, B.; Michel, J.; Mishra, D.; Morinière, E.; Mousa, J.; Müntz, C.; Naumann, L.; Novotny, R.; Otwinowski, J.; Pachmayer, Y. C.; Palka, M.; Parpottas, Yiannis; Pechenov, V.; Pechenova, O.; Pérez Cavalcanti, T.; Pietraszko, J.; Przygoda, W.; Ramstein, B.; Reshetin, A.; Rustamov, A.; Sadovsky, A.; Salabura, P.; Schma, A.; Simon, R.; Sobolev, Yu G.; Spataro, S.; Spruck, B.; Ströbele, H.; Stroth, J.; Sturm, C.; Sudol, M.; Tarantola, A.; Teilab, K.; Tlustý, P.; Traxler, M.; Trebacz, R.; Tsertos, Haralambos; Veretenkin, I.; Wagner, V.; Weber, M.; Wisniowski, M.; Wüstenfeld, J.; Yurevich, S.; Zanevsky, Y. V.; Zhou, P.; Zumbruch, P. (CERN, 2010)
      In pp collisions at 1.25 GeV kinetic energy, the HADES collaboration aimed at investigating the di-electron production related to Δ (1232) Dalitz decay (Δ+ → pe+e-). In order to constrain the models predicting the cross ...
    • Article  

      Triplet excitation energy dynamics in metal-organic frameworks 

      Lin, J.; Hu, X.; Zhang, P.; Van Rynbach, A.; Beratan, David N.; Kent, C. A.; Mehl, B. P.; Papanikolas, J. M.; Meyer, T. J.; Lin, W.; Skourtis, Spiros S.; Constantinou, Martha G. (2013)
      Metal-organic frameworks (MOFs) are appealing candidates for use in energy harvesting and concentrating because of their high chromophore density and structural tunability. The ability to engineer electronic excitation ...