Browsing by Author Gerothanassis, I. P.

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Ab initio molecular orbital calculations of solvent clusters of trans-N-methylacetamide: Structure, ring cluster formation and out-of-plane deformationDemetropoulos, I. N.; Gerothanassis, I. P.; Vakka, C.; Kakavas, C.24-Nov-2015-
Antioxidant activities and phenolic composition of extracts from Greek oregano, Greek sage, and summer savoryExarchou, V.; Nenadis, N.; Tsimidou, M.; Gerothanassis, I. P.; Troganis, A.; Boskou, D.24-Nov-2015-
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 dataGerothanassis, I. P.; Momenteau, M.; Barrie, P. J.; Kalodimos, C. G.; Hawkes, G. E.24-Nov-2015-
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 dataKalodimos, 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 dataKalodimos, 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 compoundsKalodimos, C. G.; Gerothanassis, I. P.; Pierattelli, R.; Ancian, B.24-Nov-2015-
Carbon-13 nuclear shieldings as a novel method in estimating porphyrin ruffling in hexacoordinated superstructured heme model compounds in solutionKalodimos, C. G.; Gerothanassis, I. P.24-Nov-2015-
Comparison of the solution structures of angiotensin I & II - Implication for structure-function relationshipSpyroulias, 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 chlorideDodi, K.; Gerothanassis, I. P.; Hadjiliadis, N.; Schreiber, A.; Bau, R.; Butler, I. S.; Barrie, P. J.24-Nov-2015-
Contribution of Flavonoids to the Overall Radical Scavenging Activity of Olive (Olea europaea L.) Leaf Polar ExtractsGoulas, 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 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-