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Browsing by Author Gerothanassis, I. P.
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Showing results 11 to 30 of 103
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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 shieldings
Kupka, T.
;
Gerothanassis, I. P.
;
Demetropoulos, I. N.
24-Nov-2015
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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 encephalomyelitis
Tselios, T.
;
Probert, L.
;
Daliani, I.
;
Matsoukas, E.
;
Troganis, A.
;
Gerothanassis, I. P.
;
Mavromoustakos, T.
;
Moore, G. J.
;
Matsoukas, J. M.
24-Nov-2015
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Direct observation of discrete conformational transitions in progressively hydrated nucleosides and nucleotides by the use of C-13 CP/MAS NMR spectroscopy
Barbarossou, K.
;
Aliev, A. E.
;
Gerothanassis, I. P.
;
Vaimakis, T.
24-Nov-2015
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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 mixtures
Exarchou, V.
;
Troganis, A.
;
Gerothanassis, I. P.
;
Tsimidou, M.
;
Boskou, D.
24-Nov-2015
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Domain-selective ligand-binding modes and atomic level pharmacophore refinement in angiotensin I converting enzyme (ACE) inhibitors
Tzakos, A. G.
;
Gerothanassis, I. P.
24-Nov-2015
-
Effectiveness of Pulse Sequences for Suppression of Acoustic Ringing in Ft Nmr
Gerothanassis, I. P.
24-Nov-2015
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The effects of atropisomerism and porphyrin deformation on Fe-57 shieldings in superstructured hemoprotein models
Gerothanassis, I. P.
;
Kalodimos, C. G.
;
Hawkes, G. E.
;
Haycock, P.
24-Nov-2015
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Evolution of a molecular switch by a single mutation surmounts the chloride ion dependent mechanism of ACE
Nawazish, N.
;
Gsponer, J.
;
Husain, A.
;
Gerothanassis, I. P.
;
Babu, M. M.
;
Tzakos, A.
24-Nov-2015
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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 study
Troganis, A.
;
Gerothanassis, I. P.
;
Papademitriou, D. K.
24-Nov-2015
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Exploring the "forgotten" -OH NMR spectral region in natural products
Charisiadis, P.
;
Exarchou, V.
;
Troganis, A. N.
;
Gerothanassis, I. P.
24-Nov-2015
-
Exploring the "forgotten" -OH NMR spectral region in natural products
Charisiadis, 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 compounds
Primikyri, A.
;
Kyriakou, E.
;
Charisiadis, P.
;
Tsiafoulis, C.
;
Stamatis, H.
;
Tzakos, A. G.
;
Gerothanassis, I. P.
24-Nov-2015
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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-butylformamide
Gerothanassis, 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 groups
Tatsis, 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 complex
Lalioti, 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 complex
Lalioti, 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 Calculations
Gerothanassis, 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-Spectroscopy
Gerothanassis, I. P.
;
Birlirakis, N.
;
Karayannis, T.
;
Sakarellos-Daitsiotis, M.
;
Sakarellos, C.
;
Vitoux, B.
;
Marraud, M.
24-Nov-2015
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Hydrogen bonding probes of phenol -OH groups
Kontogianni, 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-Spectroscopy
Gerothanassis, I. P.
;
Momenteau, M.
;
Loock, B.
24-Nov-2015
-