New Insights into Nuclear Magnetic Resonance (NMR) Spectroscopy.

Authors: Gerothanassis, Ioannis P.¹ (AUTHOR), Kupka, Teobald² (AUTHOR) teobaldk@gmail.com

Source: Molecules. Apr2025, Vol. 30 Issue 7, p1500. 5p.

Hyperhelianthemones A-D: Polycyclic polyprenylated benzoylphloroglucinols from Hypericum helianthemoides

Authors: Hafez-Ghoran, Salar ^{a, b, ⁎}, Gerothanassis, Ioannis P. ^c, Siskos, Michael G. ^c, Ayatollahi, Seyed Abdulmajid ^d, Yousuf, Sammer ^a, Naderian, Moslem ^e, Choudhary, M. Iqbal ^{a, f, ⁎⁎}, Kijjoa, Anake ^{g, ⁎⁎⁎}

Source: In Phytochemistry July 2025 235

Optimization of β-cyclodextrin based ultrasound-assisted extraction: A green strategy to enhance the extraction of bioactive compounds from taro leaf byproduct

Authors: Christou, Atalanti, Parisis, Nikolaos A., Tzakos, Andreas G., Gerothanassis, Ioannis P., Goulas, Vlasios

Source: In Sustainable Chemistry and Pharmacy October 2024 41

33 S NMR: Recent Advances and Applications.

Authors: Gerothanassis, Ioannis P.¹ (AUTHOR) igeroth@uoi.gr, Kridvin, Leonid B.² (AUTHOR) igeroth@uoi.gr

Source: Molecules. Jul2024, Vol. 29 Issue 14, p3301. 40p.

Subject Terms: *SOLIDS

NMR and DFT studies of monounsaturated and ω-3 polyunsaturated free fatty acids in the liquid state reveal a novel atomistic structural model of DHA

Authors: Venianakis, Themistoklis, Siskos, Michael, Papamokos, George, Gerothanassis, Ioannis P.

Source: In Journal of Molecular Liquids 15 April 2023 376

Ligand-observed in-tube NMR in natural products research: A review on enzymatic biotransformations, protein–ligand interactions, and in-cell NMR spectroscopy

Authors: Gerothanassis, Ioannis P.

Source: In Arabian Journal of Chemistry March 2023 16(3)

Ultrasonic-assisted synthesis of amantadine derivatives-in vitro urease and α-glucosidase inhibitory activities, mechanistic, and computational studies

Authors: Raza, Mohsin, Siddiqui, Hina, Khan, Majid, Ullah, Saeed, Rizvi, Fazila, Ahmad, Raheel, Gerothanassis, Ioannis P, Wahab, Atia-tul, Choudhary, M. Iqbal

Source: In Journal of Molecular Structure 15 October 2022 1266

Can we predict specific numbers of catalytically important molecules of water in H/D exchange in aromatic systems? A combined NMR and DFT study.

Authors: Chalkidou, Photini, Venianakis, Themistoklis, Papamokos, George, Siskos, Michael, Gerothanassis, Ioannis P.

Source: New Journal of Chemistry; 3/14/2025, Vol. 49 Issue 10, p3877-3889, 13p

Subject Terms: GIBBS' free energy, ORGANIC chemistry, EXCHANGE reactions, PH effect, NATURAL products

DFT Calculations of 1H and 13C NMR Chemical Shifts of Hydroxy Secondary Oxidation Products of Geometric Isomers of Conjugated Linoleic Acid Methyl Esters: Structures in Solution and Revision of NMR Assignments.

Authors: Venianakis, Themistoklis¹, Siskos, Michael G.¹, msiskos@uoi.gr, Gerothanassis, Ioannis P.¹, igeroth@uoi.gr

Source: Magnetic Resonance in Chemistry; Mar2025, Vol. 63 Issue 3, p227-240, 14p

On the Use of Strong Proton Donors as a Tool for Overcoming Line Broadening in NMR: A Comment.

Authors: Charisiadis, Pantelis¹, Venianakis, Themistoklis¹, Papaemmanouil, Christina D.¹, Primikyri, Alexandra¹, Tzakos, Andreas G.¹, Siskos, Michael G.¹, Gerothanassis, Ioannis P.¹, igeroth@uoi.gr

Source: Magnetic Resonance in Chemistry; Mar2025, Vol. 63 Issue 3, p170-179, 10p

DFT Calculations of ¹H and ¹³C NMR Chemical Shifts of Hydroxy Secondary Oxidation Products of Geometric Isomers of Conjugated Linoleic Acid Methyl Esters: Structures in Solution and Revision of NMR Assignments.

Authors: Venianakis, Themistoklis, Siskos, Michael G., Gerothanassis, Ioannis P.

Source: Magnetic Resonance in Chemistry; Mar2025, Vol. 63 Issue 3, p227-240, 14p

Subject Terms: CONJUGATED linoleic acid, CHEMICAL shift (Nuclear magnetic resonance), INORGANIC compounds, CONFORMATIONAL analysis, FATTY acid methyl esters, CONFORMATIONAL isomerism, STRUCTURAL analysis (Science), DENSITY functional theory

Serum albumin as a primary non-covalent binding protein for nitro-oleic acid

Authors: Hernychova, Lenka, Alexandri, Eleni, Tzakos, Andreas G., Zatloukalová, Martina, Primikyri, Alexandra, Gerothanassis, Ioannis P., Uhrik, Lukas, Šebela, Marek, Kopečný, David, Jedinák, Lukáš, Vacek, Jan

Source: In International Journal of Biological Macromolecules 1 April 2022 203:116-129

NMR and computational studies reveal novel aspects in molecular recognition of unsaturated fatty acids with non‐labelled serum albumin

Authors: Alexandri, Eleni, Primikyri, Alexandra, Papamokos, Georgios, Venianakis, Themistoklis, Gkalpinos, Vasileios K., Tzakos, Andreas G., Karydis‐Messinis, Andreas, Moschovas, Dimitrios, Avgeropoulos, Apostolos, Gerothanassis, Ioannis P.

Source: FEBS journal. 289(18):5617-5636

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100161222154.0x000001&indx=1&recIds=ETOCvdc_100161222154.0x000001

Density functional theory calculations of δ(13C) and δ(1H) chemical shifts and 3J(13COO1H) coupling constants as structural and analytical tools in hydroperoxides: Prospects and limitations of 1H13C heteronuclear multiple bond correlation experiments

Authors: Ahmed, Raheel, Siskos, Michael G., Siddiqui, Hina, Gerothanassis, Ioannis P.

Source: Magnetic resonance in chemistry. 60(10):970-984

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100160170806.0x000001&indx=1&recIds=ETOCvdc_100160170806.0x000001

On the molecular basis of H2O/DMSO eutectic mixtures by using phenol compounds as molecular sensors: a combined NMR and DFT studyElectronic supplementary information (ESI) available: 1H NMR spectral region, minimum energy structures of solvation species of phenol, paracoumaric acid and vanillic acid, tables of proton exchange rates. See DOI: 10.1039/d0cp05861k

Authors: Fatima, Sana, Varras, Panayiotis C., Choudhary, M. Iqbal, Siskos, Michael G., Gerothanassis, Ioannis P.

Source: Physical chemistry chemical physics. 23(29):15645-15658

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100123824737.0x000001&indx=1&recIds=ETOCvdc_100123824737.0x000001

Phytochemical Analysis and Biological Evaluation of Carob Leaf (Ceratonia siliqua L.) Crude Extracts Using NMR and Mass Spectroscopic Techniques.

Authors: Venianakis, Themistoklis, Parisis, Nikolaos, Christou, Atalanti, Goulas, Vlasios, Nikoloudakis, Nikolaos, Botsaris, George, Goričan, Tjaša, Grdadolnik, Simona Golič, Tzakos, Andreas G., Gerothanassis, Ioannis P.

Source: Molecules; Nov2024, Vol. 29 Issue 22, p5273, 17p

Subject Terms: MASS spectrometry, OVERHAUSER effect (Nuclear physics), NUCLEAR magnetic resonance, CAROB, DIGESTIVE enzymes, PHYTOCHEMICALS

DFT calculations of O–H⋯O 1H NMR chemical shifts in investigating enol-enol tautomeric equilibria: Probing the impacts of intramolecular hydrogen bonding vs stereoelectronic interactions

Authors: Siskos, Michael G., Varras, Panayiotis C., Gerothanassis, Ioannis P.

Source: In Tetrahedron 28 February 2020 76(9)

Nuclear magnetic resonance screening of changes in fatty acid and cholesterol content of ovine milk induced by ensiled olive cake inclusion in Chios sheep diets

Authors: Symeou, Simoni, Tsiafoulis, Constantinos G., Gerothanassis, Ioannis P., Miltiadou, Despoina, Tzamaloukas, Ouranios

Source: In Small Ruminant Research August 2019 177:111-116

Simultaneous determination of artemisinin and its analogs and flavonoids in Artemisia annua crude extracts with the use of NMR spectroscopy

Authors: Kontogianni, Vassiliki G., Primikyri, Alexandra, Sakka, Marianna, Gerothanassis, Ioannis P.

Source: Magnetic resonance in chemistry. 58(3):232-244

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Functional stability of goats' milk yoghurt supplemented with Pistacia atlantica resin extracts and Saccharomyces boulardii

Authors: Hadjimbei, Elena, Botsaris, George, Goulas, Vlasios, Alexandri, Eleni, Gekas, Vassilis, Gerothanassis, Ioannis P

Source: International journal of dairy technology. 73(1):134-143

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100150042796.0x000001&indx=1&recIds=ETOCvdc_100150042796.0x000001