Browsing by Subject "chemical structure"

Article

A 1-D coordination polymer based on a Mn40 octagonal super-structure

Manoli, Maria; Inglis, R.; Manos, Manolis J.; Papaefstathìou, Giannis S.; Brechin, E. K.; Tasiopoulos, Anastasios J. (2013)

A 1-D coordination polymer, constructed using a combination of diols and phenolic oximes, contains a novel [Mn9] sub-unit, a nanosized [Mn40] octagonal super-structure and a [Mn21] repeating unit. © 2013 The Royal Society ...

Article

The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug

Oikonomakos, Nikos G.; Zographos, Spyros E.; Skamnaki, Vicky T.; Archontis, Georgios Z. (2002)

CP320626, a potential antidiabetic drug, inhibits glycogen phosphorylase in synergism with glucose. To elucidate the structural basis of synergistic inhibition, we determined the structure of muscle glycogen phosphorylase ...

Article

Activated biochar derived from cactus fibres - Preparation, characterization and application on Cu(II) removal from aqueous solutions

Hadjittofi, Loukia; Prodromou, Melpomeni; Pashalidis, Ioannis (2014)

The adsorption efficiency of activated biochar prepared from cactus fibres regarding the removal of Cu(II) from aqueous solutions has been investigated as a function of various physicochemical parameters (e.g. pH, initial ...

Article

Aerial Oxidation of a VIV-Iminopyridine Hydroquinonate Complex: A Trap for the VIV-Semiquinonate Radical Intermediate

Stylianou, M.; Drouza, C.; Giapintzakis, John; Athanasopoulos, G. I.; Keramidas, A. D. (2015)

The reaction of 2,5-bis[N,N′-bis(2-pyridyl-aminomethyl)aminomethyl]-p-hydroquinone (H2bpymah) with VO2+ salts in acetonitrile or water at a low pH (2.2-3.5) results in the isolation of [VIV(O)(Cl)2(μ-bpymah)], the ...

Article

Aerial Oxidation of a VIV-Iminopyridine Hydroquinonate Complex: A Trap for the VIV-Semiquinonate Radical Intermediate

Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, Ioannis; Athanasopoulos, Georgios I.; Keramidas, Anastasios D. (2015)

The reaction of 2,5-bis[N,N′-bis(2-pyridyl-aminomethyl)aminomethyl]-p-hydroquinone (H2bpymah) with VO2+ salts in acetonitrile or water at a low pH (2.2-3.5) results in the isolation of [{VIV(O)(Cl)}2(μ-bpymah)], the ...

Article

Amphiphilic single and double networks: a small-angle X-ray scattering investigation

Zhang, X. K.; Kyriakos, K.; Rikkou-Kalourkoti, Maria D.; Kitiri, E. N.; Patrickios, Costas S.; Papadakis, Christine M. (2016)

We investigated the microphase-separated morphologies of water-swollen amphiphilic single and double polymer networks using small-angle X-ray scattering (SAXS). The networks consist of (i) a first conetwork containing ...

Article

Analysis of polyphenols using capillary zone electrophoresis - Determination of the most effective wine sample pre-treatment method

Nicolaou, I. N.; Kapnissi‐Christodoulou, Constantina P. (2010)

A simple CZE method has been developed for the simultaneous determination of eight polyphenolic compounds. The influence of several experimental conditions such as buffer (concentration and pH) and temperature were studied. ...

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

Broom-like and flower-like heterostructures of silver molybdate through pH controlled self assembly

Singh, D. P.; Sirota, B.; Talpatra, S.; Kohli, P.; Rebholz, Claus; Aouadi, S. M. (2012)

Silver molybdate microrods are selfassembled into micron sized, broom-like and flowerlike structures. Our investigations indicate that through a simple hydrothermal process, large scale production of such structure is ...

Article

Cationic amphiphilic model networks based on symmetrical ABCBA pentablock terpolymers: Synthesis, characterization, and modelling

Triftaridou, Aggeliki I.; Vamvakaki, Maria; Patrickios, Costas S. (2007)

Eight isomeric networks based on equimolar terpolymers were synthesized using group transfer polymerization (GTP) and were characterized in terms of their swelling properties. Two hydrophilic monomers, the nonionic methoxy ...

Article

Chaotropic salts interacting with soft matter: Beyond the lyotropic series

Leontidis, Epameinondas (2016)

The effects of the chaotropic ions of the Hofmeister series on many systems and phenomena are typically quite pronounced. What happens, however, when one uses chaotropic ions beyond SCN−, ClO4 −, or guanidinium, which are ...

Article

CHARMM: The biomolecular simulation program

Brooks, B. R.; Brooks III, C. L.; Mackerell Jr., A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, Georgios Z.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. (2009)

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, ...

Article

A chiral dumbbell shaped bis(fullerene) oligoelectrolyte

Chronakis, Nikos; Hartnagel, U.; Braun, M.; Hirsch, A. (2007)

The first icosacationic bis(fullerene) whose water solubility is provided by twenty peripheral ammonium groups has a rigid, almost cylindrical shape and was synthesized by connecting two fullerene cores with a chiral ...

Article

Chiral selectors in CE: Recent developments and applications (2012-mid 2014)

Stavrou, Ioannis J.; Mavroudi, Maria C.; Kapnissi‐Christodoulou, Constantina P. (2015)

There is a large number of chiral selectors (CSs) that have, over the years, been synthesized and used in electrophoretic enantioseparations. This report highlights the most important CSs applied in CE during the period ...

Article

Chiral separation of Huperzine A using CE - Method validation and application in pharmaceutical formulations

Tsioupi, Despina A.; Nicolaou, I. N.; Moore, L.; Kapnissi‐Christodoulou, Constantina P. (2012)

The aim of this work is the development, validation and application of an MEKC method for the chiral separation of Huperzine A. Huperzine A is an important compound that is used to treat Alzheimer's disease. However, only ...

Article

Computational protein design: The proteus software and selected applications

Simonson, T.; Gaillard, T.; Mignon, D.; Schmidt Am Busch, M.; Lopes, A.; Amara, Najette; Polydorides, Savvas; Sedano, A.; Druart, Karen; Archontis, Georgios Z. (2013)

We describe an automated procedure for protein design, implemented in a flexible software package, called Proteus. System setup and calculation of an energy matrix are done with the XPLOR modeling program and its sophisticated ...

Article

The conversion of 2-cyano cyanothioformanilides into 3-aminoindole-2- carbonitriles using triphenylphosphine

Koutentis, Panayiotis Andreas; Michaelidou, Sophia S. (2010)

2-Cyano cyanothioformanilide 3a reacts with triphenylphosphine in the presence of water to give 2-(cyanomethyleneamino)benzonitrile 4a, 2-(cyanomethylamino)benzonitrile 5, 3-aminoindole-2-carbonitrile 2a and (2-cyanoindo ...

Article

Correlations of synthetic, spectroscopic, structural, and speciation studies in the biologically relevant Cobalt(II) - Citrate system: The tale of the first aqueous dinuclear Cobalt(II) - Citrate complex

Kotsakis, N.; Raptopoulou, C. P.; Tangoulis, V.; Terzis, A.; Giapintzakis, John; Jakusch, T.; Kiss, T.; Salifoglou, A. (2003)

Synthetic efforts targeting soluble species of Co(II) with the low molecular mass physiological ligand citric acid led to the isolation of the first dinuclear complex [Co2(C6H5O7)2 (H2O)4]2-, at pH ∼5, in the form of its ...

Article

Crossreactivity to vinculin and microbes provides a molecular basis for HLA-based protection against rheumatoid arthritis

Van Heemst, J.; Jansen, D. T. S. L.; Polydorides, Savvas; Moustakas, Antonis K.; Bax, M.; Feitsma, A. L.; Bontrop-Elferink, D. G.; Baarse, M.; Van Der Woude, D.; Wolbink, G. -J; Rispens, T.; Koning, F.; De Vries, R. R. P.; Papadopoulos, George K.; Archontis, Georgios Z.; Huizinga, T. W.; Toes, R. E. (2015)

The HLA locus is the strongest risk factor for anti-citrullinated protein antibody (ACPA) + rheumatoid arthritis (RA). Despite considerable efforts in the last 35 years, this association is poorly understood. Here we ...

Article

CsMBi3Te6 and CsM2Bi3Te7 (M = Pb, Sn): New thermoelectric compounds with low-dimensional structures

Hsu, K. F.; Chung, D. Y.; Lal, S.; Mrotzek, A.; Kyratsi, Theodora; Hogan, T.; Kanatzidis, M. G. (2002)

The new materials CsPbBi3Te6 nad CsPb2Bi3Te7 were discovered through reactions of CsBi4Te6 with PbTe, whereas the isostructural materials CsSnBi3Te6 and CsSn2Bi3Te7 were discovered through corresponding reactions with SnTe. ...