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Ioannis Gerothanassis - Publications

Affiliations: 
Chemistry University of Ioannina, Ioannina, Greece 
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33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Ahmed R, Siskos MG, Siddiqui H, Gerothanassis IP. DFT calculations of δ( C) and δ( H) chemical shifts and J( C-O-O- H) coupling constants as structural and analytical tools in hydroperoxides: prospects and limitations of H- C HMBC experiments. Magnetic Resonance in Chemistry : Mrc. PMID 35830967 DOI: 10.1002/mrc.5298  0.364
2020 Ahmed R, Varras PC, Siskos MG, Siddiqui H, Choudhary MI, Gerothanassis IP. NMR and Computational Studies as Analytical and High-Resolution Structural Tool for Complex Hydroperoxides and Diastereomeric -Hydroperoxides of Fatty Acids in Solution-Exemplified by Methyl Linolenate. Molecules (Basel, Switzerland). 25. PMID 33113947 DOI: 10.3390/molecules25214902  0.369
2020 Venianakis T, Oikonomaki C, Siskos MG, Varras PC, Primikyri A, Alexandri E, Gerothanassis IP. DFT Calculations of H- and C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 ω-7) and Model Compounds in Solution. Molecules (Basel, Switzerland). 25. PMID 32796664 DOI: 10.3390/molecules25163660  0.331
2019 Mari SH, Varras PC, Choudhary IM, Siskos MG, Gerothanassis IP. Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and H-NMR Chemical Shifts. Molecules (Basel, Switzerland). 24. PMID 31226776 DOI: 10.3390/molecules24122290  0.324
2017 Siskos MG, Choudhary MI, Gerothanassis IP. Refinement of labile hydrogen positions based on DFT calculations of (1)H NMR chemical shifts: comparison with X-ray and neutron diffraction methods. Organic & Biomolecular Chemistry. 15: 4655-4666. PMID 28513720 DOI: 10.1039/C7Ob01019B  0.312
2015 Siskos MG, Tzakos AG, Gerothanassis IP. Accurate ab initio calculations of O-HO and O-H(-)O proton chemical shifts: towards elucidation of the nature of the hydrogen bond and prediction of hydrogen bond distances. Organic & Biomolecular Chemistry. 13: 8852-68. PMID 26196256 DOI: 10.1039/c5ob00920k  0.303
2015 Primikyri A, Mazzone G, Lekka C, Tzakos AG, Russo N, Gerothanassis IP. Understanding zinc(II) chelation with quercetin and luteolin: a combined NMR and theoretical study. The Journal of Physical Chemistry. B. 119: 83-95. PMID 25486072 DOI: 10.1021/Jp509752S  0.347
2014 Charisiadis P, Kontogianni VG, Tsiafoulis CG, Tzakos AG, Siskos M, Gerothanassis IP. 1H-NMR as a structural and analytical tool of intra- and intermolecular hydrogen bonds of phenol-containing natural products and model compounds. Molecules (Basel, Switzerland). 19: 13643-82. PMID 25185070 DOI: 10.3390/molecules190913643  0.33
2010 GEROTHANASSIS IP. ChemInform Abstract: 17O NMR Studies of Hemoproteins and Synthetic Model Compounds in the Solution and Solid States Cheminform. 25: no-no. DOI: 10.1002/CHIN.199434318  0.327
2009 Kontogianni VG, Exarchou V, Troganis A, Gerothanassis IP. Rapid and novel discrimination and quantification of oleanolic and ursolic acids in complex plant extracts using two-dimensional nuclear magnetic resonance spectroscopy-Comparison with HPLC methods. Analytica Chimica Acta. 635: 188-95. PMID 19216877 DOI: 10.1016/j.aca.2009.01.021  0.312
2008 Tatsis EC, Exarchou V, Troganis AN, Gerothanassis IP. 1H NMR determination of hypericin and pseudohypericin in complex natural mixtures by the use of strongly deshielded OH groups. Analytica Chimica Acta. 607: 219-26. PMID 18190811 DOI: 10.1016/j.aca.2007.11.040  0.703
2007 Tatsis EC, Boeren S, Exarchou V, Troganis AN, Vervoort J, Gerothanassis IP. Identification of the major constituents of Hypericum perforatum by LC/SPE/NMR and/or LC/MS. Phytochemistry. 68: 383-93. PMID 17196625 DOI: 10.1016/j.phytochem.2006.11.026  0.677
2002 Skalkos D, Tatsis E, Gerothanassis IP, Troganis A. Towards a consensus structure of hypericin in solution: direct evidence for a single tautomer and different ionization states in protic and nonprotic solvents by the use of variable temperature gradient 1H NMR Tetrahedron. 58: 4925-4929. DOI: 10.1016/S0040-4020(02)00419-2  0.682
2000 Kalodimos CG, Gerothanassis IP, Pierattelli R, Troganis A. Multinuclear (13C, 17O, 57Fe) NMR studies of carbonmonoxy heme proteins and synthetic model compounds Journal of Inorganic Biochemistry. 79: 371-380. PMID 10830891 DOI: 10.1016/S0162-0134(99)00239-1  0.679
1999 Kalodimos CG, Gerothanassis IP, Rose E, Hawkes GE, Pierattelli R. Iron-57 nuclear shieldings as a quantitative tool for estimating porphyrin ruffling in hexacoordinated carbonmonoxy heme model compounds in solution Journal of the American Chemical Society. 121: 2903-2908. DOI: 10.1021/ja983889g  0.64
1999 Kalodimos CG, Gerothanassis IP, Pierattelli R, Ancian B. Carbon-13 and Oxygen-17 Chemical Shifts, (16O/18O) Isotope Effects on13C 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 Inorganic Chemistry. 38: 4283-4293. DOI: 10.1021/Ic9814165  0.644
1998 Kalodimos CG, Gerothanassis IP, Hawkes GE. 13C- and 57Fe-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 Biospectroscopy. 4. PMID 9787915 DOI: 10.1002/(SICI)1520-6343(1998)4:5+3.0.CO;2-1  0.67
1998 Gerothanassis IP, Kalodimos CG, Hawkes GE, Haycock P. The Effects of Atropisomerism and Porphyrin Deformation on 57Fe Shieldings in Superstructured Hemoprotein Models Journal of Magnetic Resonance. 131: 163-165. PMID 9533921 DOI: 10.1006/JMRE.1997.1350  0.615
1998 Kalodimos CG, Gerothanassis IP, Troganis A, Loock B, Momenteau M. Journal of Biomolecular Nmr. 11: 423-435. DOI: 10.1023/A:1008253901009  0.712
1998 Kalodimos CG, Gerothanassis IP. Carbon-13 nuclear shieldings as a novel method in estimating porphyrin ruffling in hexacoordinated superstructured heme model compounds in solution [4] Journal of the American Chemical Society. 120: 6407-6408. DOI: 10.1021/ja980483v  0.585
1996 Gerothanassis IP, Momenteau M, Barrie PJ, Kalodimos CG, Hawkes GE. 13C CP/MAS NMR Studies of Hemoprotein Models with and without an Axial Hindered Base: (13)C Shielding Tensors and Comparison with Hemoproteins and X-ray Structural Data. Inorganic Chemistry. 35: 2674-2679. PMID 11666486 DOI: 10.1021/IC950830R  0.615
1995 Barrie PJ, Gerothanassis IP, Momenteau M, Hawkes GE. Measuring the 13C NMR shielding tensor of 13CO bonded to haemoglobin. Journal of Magnetic Resonance. Series B. 108: 185-8. PMID 7648017 DOI: 10.1006/JMRB.1995.1121  0.559
1995 Momenteau M, Gerothanassis I, Barrie P, Hawkes G. 13C NMR studies of hemoproteins and model compounds in the solid Journal of Inorganic Biochemistry. 59: 460. DOI: 10.1016/0162-0134(95)97556-6  0.594
1994 Gerothanassis IP, Barrie PJ, Momenteau M, Hawkes GE. Solid-State 13C NMR Evidence for a Large Deviation from Linearity of the Fe-C-O Unit in the CO Complex with Myoglobin Journal of the American Chemical Society. 116: 11944-11949. DOI: 10.1021/Ja00105A038  0.615
1994 Gerothanassis IP. 17O NMR studies of hemoproteins and synthetic model compounds in the solution and solid states Progress in Nuclear Magnetic Resonance Spectroscopy. 26: 239-292. DOI: 10.1016/0079-6565(94)80008-1  0.324
1993 Gerothanassis IP, Momenteau M, Hawkes GE, Barrie PJ. Is the iron-carbon-oxygen moiety linear or bent in heme model compounds? Evidence for non-axially symmetric shielding tensors from carbon-13 CP MAS NMR spectroscopy Journal of the American Chemical Society. 115: 9796-9797. DOI: 10.1021/Ja00074A055  0.578
1989 Sakarellos C, Gerothanassis IP, Birlirakis N, Karayannis T, Sakarellos-Daitsiotis M, Marraud M. 17O-NMR studies of the conformational and dynamic properties of enkephalins in aqueous and organic solutions using selectively labeled analogues. Biopolymers. 28: 15-26. PMID 2720102 DOI: 10.1002/bip.360280105  0.306
1989 Gerothanassis IP, Momenteau M, Loock B. Hydrogen-bond stabilization of dioxygen: conformation excitation and autoxidation mechanism in hemoprotein models as revealed by oxygen-17 NMR spectroscopy Journal of the American Chemical Society. 111: 7006-7012. DOI: 10.1021/Ja00200A017  0.551
1989 Momenteau M, Gerothanassis I. 17O-NMR spectra of oxygenated hemoprotein models Journal of Inorganic Biochemistry. 36: 315. DOI: 10.1016/0162-0134(89)84490-3  0.598
1989 GEROTHANASSIS IP, MOMENTEAU M, LOOCK B. ChemInform Abstract: Hydrogen-Bond Stabilization of Dioxygen, Conformation Excitation, and Autoxidation Mechanism in Hemoprotein Models as Revealed by 17O NMR Spectroscopy Cheminform. 20. DOI: 10.1002/CHIN.198949038  0.587
1988 GEROTHANASSIS IP, MOMENTEAU M. ChemInform Abstract: 17O NMR Spectroscopy as a Tool for Studying Synthetic Oxygen Carriers Related to Biological Systems: Application to a Synthetic Single-Face Hindered Iron Porphyrin-Dioxygen Complex (I) in Solution. Cheminform. 19. DOI: 10.1002/CHIN.198809043  0.587
1987 Gerothanassis IP, Momenteau M. Oxygen-17 NMR spectroscopy as a tool for studying synthetic oxygen carriers related to biological systems: application to a synthetic single-face hindered iron porphyrin dioxygen complex in solution Journal of the American Chemical Society. 109: 6944-6947. DOI: 10.1021/JA00257A007  0.542
1986 Gerothanassis IP, Lauterwein J. 17O NMR spectroscopy: Referencing in diamagnetic and paramagnetic solutions Magnetic Resonance in Chemistry. 24: 1034-1038. DOI: 10.1002/MRC.1260241205  0.318
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