Browsing by Author Gerothanassis, I. P.

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Density functional study of a model amide. Prediction of formamide geometry, dipole moment, IR harmonic vibration nu(C=O) and GIAO NMR shieldingsKupka, T.; Gerothanassis, I. P.; Demetropoulos, I. N.24-Nov-2015-
Design and synthesis of a potent cyclic analogue of the myelin basic protein epitope MBP72-85: Importance of the Ala(81) carboxyl group and of at cyclic conformation for induction of experimental allergic encephalomyelitisTselios, T.; Probert, L.; Daliani, I.; Matsoukas, E.; Troganis, A.; Gerothanassis, I. P.; Mavromoustakos, T.; Moore, G. J.; Matsoukas, J. M.24-Nov-2015-
Direct observation of discrete conformational transitions in progressively hydrated nucleosides and nucleotides by the use of C-13 CP/MAS NMR spectroscopyBarbarossou, K.; Aliev, A. E.; Gerothanassis, I. P.; Vaimakis, T.24-Nov-2015-
Do strong intramolecular hydrogen bonds persist in aqueous solution? Variable temperature gradient H-1, H-1-C-13 GE-HSQC and GE-HMBC NMR studies of flavonols and flavones in organic and aqueous mixturesExarchou, V.; Troganis, A.; Gerothanassis, I. P.; Tsimidou, M.; Boskou, D.24-Nov-2015-
Domain-selective ligand-binding modes and atomic level pharmacophore refinement in angiotensin I converting enzyme (ACE) inhibitorsTzakos, A. G.; Gerothanassis, I. P.24-Nov-2015-
Effectiveness of Pulse Sequences for Suppression of Acoustic Ringing in Ft NmrGerothanassis, I. P.24-Nov-2015-
The effects of atropisomerism and porphyrin deformation on Fe-57 shieldings in superstructured hemoprotein modelsGerothanassis, I. P.; Kalodimos, C. G.; Hawkes, G. E.; Haycock, P.24-Nov-2015-
Evolution of a molecular switch by a single mutation surmounts the chloride ion dependent mechanism of ACENawazish, N.; Gsponer, J.; Husain, A.; Gerothanassis, I. P.; Babu, M. M.; Tzakos, A.24-Nov-2015-
Experimental evidence of specific solute-solvent interactions of fullerenes C-60 and C-70 in solution: One-dimensional steady-state intermolecular C-13, H-1 Overhauser effect studyTroganis, A.; Gerothanassis, I. P.; Papademitriou, D. K.24-Nov-2015-
Exploring the "forgotten" -OH NMR spectral region in natural productsCharisiadis, P.; Exarchou, V.; Troganis, A. N.; Gerothanassis, I. P.24-Nov-2015-
Exploring the "forgotten" -OH NMR spectral region in natural productsCharisiadis, P.; Exarchou, V.; Troganis, A. N.; Gerothanassis, I. P.24-Nov-2015-
Fine-tuning of the diffusion dimension of -OH groups for high resolution DOSY NMR applications in crude enzymatic transformations and mixtures of organic compoundsPrimikyri, A.; Kyriakou, E.; Charisiadis, P.; Tsiafoulis, C.; Stamatis, H.; Tzakos, A. G.; Gerothanassis, I. P.24-Nov-2015-
The first experimental evidence of differential hydration of E/Z isomers of sterically hindered amides: One dimensional steady-state selective intermolecular C-13, H-1 overhauser effect study of tert-butylformamideGerothanassis, I. P.; Troganis, A.; Vakka, C.24-Nov-2015-
H-1 NMR determination of hypericin and pseudohypericin in complex natural mixtures by the use of strongly deshielded OH groupsTatsis, E. C.; Exarchou, V.; Troganis, A. N.; Gerothanassis, I. P.24-Nov-2015-
High nuclearity Zn(II)/MeCO(2)(-)/(C(5)NH(4))(2)CO(2)(2-) clusters by "depolymerization": Conversion of a three-dimensional coordination polymer containing hexameric units into its constituent hexanuclear complexLalioti, N.; Raptopoulou, C. P.; Terzis, A.; Aliev, A. E.; Gerothanassis, I. P.; Manessi-Zoupa, E.; Perlepes, S. P.24-Nov-2015-
High nuclearity Zn-II/MeCO2-/(C5NH4)(2)CO22- clusters by "depolymerization": Conversion of a three-dimensional coordination polymer containing hexameric units into its constituent hexanuclear complexLalioti, N.; Raptopoulou, C. P.; Terzis, A.; Aliev, A. E.; Gerothanassis, I. P.; Manessi-Zoupa, E.; Perlepes, S. P.24-Nov-2015-
Hydration of Cis and Trans N-Methylformamide as Revealed by the Use of O-17-Nmr, Molecular Mechanics, and Ab-Initio CalculationsGerothanassis, I. P.; Demetropoulos, I. N.; Vakka, C.24-Nov-2015-
Hydration of the Gly2 and Gly3 Peptide Oxygens of [Leu5]-Enkephalin in Aqueous-Solution as Revealed by the Combined Use of O-17-Nmr and Fourier-Transform Infrared-SpectroscopyGerothanassis, I. P.; Birlirakis, N.; Karayannis, T.; Sakarellos-Daitsiotis, M.; Sakarellos, C.; Vitoux, B.; Marraud, M.24-Nov-2015-
Hydrogen bonding probes of phenol -OH groupsKontogianni, V. G.; Charisiadis, P.; Primikyri, A.; Pappas, C. G.; Exarchou, V.; Tzakos, A. G.; Gerothanassis, I. P.24-Nov-2015-
Hydrogen-Bond Stabilization of Dioxygen, Conformation Excitation, and Autoxidation Mechanism in Hemoprotein Models as Revealed by O-17 Nmr-SpectroscopyGerothanassis, I. P.; Momenteau, M.; Loock, B.24-Nov-2015-