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Browsing by Author Gerothanassis, I. P.
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Showing results 1 to 20 of 103
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Ab initio molecular orbital calculations of solvent clusters of trans-N-methylacetamide: Structure, ring cluster formation and out-of-plane deformation
Demetropoulos, I. N.
;
Gerothanassis, I. P.
;
Vakka, C.
;
Kakavas, C.
24-Nov-2015
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Antioxidant activities and phenolic composition of extracts from Greek oregano, Greek sage, and summer savory
Exarchou, V.
;
Nenadis, N.
;
Tsimidou, M.
;
Gerothanassis, I. P.
;
Troganis, A.
;
Boskou, D.
24-Nov-2015
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C-13 CP/MAS NMR studies of hemoprotein models with and without an axial hindered base: C-13 shielding tensors and comparison with hemoproteins and X-ray structural data
Gerothanassis, I. P.
;
Momenteau, M.
;
Barrie, P. J.
;
Kalodimos, C. G.
;
Hawkes, G. E.
24-Nov-2015
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C-13 shieldings, O-18 isotope effects on C-13 shieldings, and Fe-57-C-13 spin couplings of the Fe-C-O unit in superstructured hemoprotein models: Comparison with hemoproteins, C-O vibrational frequencies, and X-ray structural data
Kalodimos, C. G.
;
Gerothanassis, I. P.
;
Troganis, A.
;
Loock, B.
;
Momenteau, M.
24-Nov-2015
-
C-13- and Fe-57-NMR studies of the Fe - C - O unit of heme proteins and synthetic model compounds in solution: Comparison with IR vibrational frequencies and X-ray structural data
Kalodimos, C. C.
;
Gerothanassis, I. P.
;
Hawkes, G. E.
24-Nov-2015
-
Carbon-13 and oxygen-17 chemical shifts, (O-16/O-18) isotope effects on C-13 chemical shifts, and vibrational frequencies of carbon monoxide in various solvents and of the Fe-C-O unit in carbonmonoxy heme proteins and synthetic model compounds
Kalodimos, C. G.
;
Gerothanassis, I. P.
;
Pierattelli, R.
;
Ancian, B.
24-Nov-2015
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Carbon-13 nuclear shieldings as a novel method in estimating porphyrin ruffling in hexacoordinated superstructured heme model compounds in solution
Kalodimos, C. G.
;
Gerothanassis, I. P.
24-Nov-2015
-
Comparison of the solution structures of angiotensin I & II - Implication for structure-function relationship
Spyroulias, G. A.
;
Nikolakopoulou, P.
;
Tzakos, A.
;
Gerothanassis, I. P.
;
Magafa, V.
;
Manessi-Zoupa, E.
;
Cordopatis, P.
24-Nov-2015
-
Complexes of Zn2+, Cd2+, and Hg2+ with 2-(alpha-hydroxybenzyl)thiamine monophosphate chloride
Dodi, K.
;
Gerothanassis, I. P.
;
Hadjiliadis, N.
;
Schreiber, A.
;
Bau, R.
;
Butler, I. S.
;
Barrie, P. J.
24-Nov-2015
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Contribution of Flavonoids to the Overall Radical Scavenging Activity of Olive (Olea europaea L.) Leaf Polar Extracts
Goulas, V.
;
Papoti, V. T.
;
Exarchou, V.
;
Tsimidou, M. Z.
;
Gerothanassis, I. P.
24-Nov-2015
-
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
-
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
-
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
-
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
-
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
-