Publications by authors named "Ioannis P Gerothanassis"

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Are the p values of free fatty acids in aqueous solution abnormally high? An NMR and computational perspective.
Themistoklis Venianakis, Tjaša Goričan, Georgios Papamokos, Simona Golič Grdadolnik, Michael G Siskos, Ioannis P Gerothanassis

Chem Commun (Camb)· December 2025

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Therapeutic Potential of Stylissatin A and Related Cyclic Peptides From Marine Sponges.
Aaqib Ullah, Farzana Shaheen, Uzma Salar, Andreas G Tzakos, Ioannis P Gerothanassis

J Pept Sci· September 2025

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Hyperhelianthemones A-D: Polycyclic polyprenylated benzoylphloroglucinols from Hypericum helianthemoides.
Salar Hafez-Ghoran, Ioannis P Gerothanassis, Michael G Siskos, Seyed Abdulmajid Ayatollahi, Sammer Yousuf

Phytochemistry· July 2025

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On the Use of Strong Proton Donors as a Tool for Overcoming Line Broadening in NMR: A Comment.
Pantelis Charisiadis, Themistoklis Venianakis, Christina D Papaemmanouil, Alexandra Primikyri, Andreas G Tzakos, Ioannis P Gerothanassis

Magn Reson Chem· March 2025

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DFT Calculations of H and C 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.
Themistoklis Venianakis, Michael G Siskos, Ioannis P Gerothanassis

Magn Reson Chem· March 2025

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New Insights into Nuclear Magnetic Resonance (NMR) Spectroscopy.
Ioannis P Gerothanassis, Teobald Kupka

Molecules· March 2025

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Phytochemical Analysis and Biological Evaluation of Carob Leaf ( L.) Crude Extracts Using NMR and Mass Spectroscopic Techniques.
Themistoklis Venianakis, Nikolaos Parisis, Atalanti Christou, Vlasios Goulas, Nikolaos Nikoloudakis, Ioannis P Gerothanassis

Molecules· November 2024

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S NMR: Recent Advances and Applications.
Ioannis P Gerothanassis, Leonid B Kridvin

Molecules· July 2024

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NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow's Drug Binding Sites in Human Serum Albumin.
Themistoklis Venianakis, Alexandra Primikyri, Till Opatz, Stefan Petry, Georgios Papamokos, Ioannis P Gerothanassis

Molecules· December 2023

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Ultrasound-Assisted Extraction of Taro Leaf Antioxidants Using Natural Deep Eutectic Solvents: An Eco-Friendly Strategy for the Valorization of Crop Residues.
Atalanti Christou, Nikolaos A Parisis, Themistoklis Venianakis, Alexandra Barbouti, Andreas G Tzakos, Ioannis P Gerothanassis

Antioxidants (Basel)· September 2023

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Structural Studies of Monounsaturated and ω-3 Polyunsaturated Free Fatty Acids in Solution with the Combined Use οf NMR and DFT Calculations-Comparison with the Liquid State.
Themistoklis Venianakis, Michael G Siskos, George Papamokos, Ioannis P Gerothanassis

Molecules· August 2023

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Editorial: Re-emergence of natural products for drug discovery in honor of Prof. Dr. M. Iqbal Choudhary.
Hidayat Hussain, Hina Siddiqui, Ioannis P Gerothanassis

Front Pharmacol· July 2023

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Molecular Basis for the Selectivity of DHA and EPA in Sudlow's Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations.
Eleni Alexandri, Themistoklis Venianakis, Alexandra Primikyri, Georgios Papamokos, Ioannis P Gerothanassis

Molecules· April 2023

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Prof. Dr. M. Iqbal Choudhary-A lifetime career dedicated to remarkable services in "natural products sciences".
Hidayat Hussain, Hina Siddiqui, Ioannis P Gerothanassis

Front Pharmacol· January 2023

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ANTIAGE-DB: A Database and Server for the Prediction of Anti-Aging Compounds Targeting Elastase, Hyaluronidase, and Tyrosinase.
Christina D Papaemmanouil, Jorge Peña-García, Antonio Jesús Banegas-Luna, Androniki D Kostagianni, Ioannis P Gerothanassis

Antioxidants (Basel)· November 2022

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Density functional theory 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 heteronuclear multiple bond correlation experiments.
Raheel Ahmed, Michael G Siskos, Hina Siddiqui, Ioannis P Gerothanassis

Magn Reson Chem· October 2022

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NMR and computational studies reveal novel aspects in molecular recognition of unsaturated fatty acids with non-labelled serum albumin.
Eleni Alexandri, Alexandra Primikyri, Georgios Papamokos, Themistoklis Venianakis, Vasileios K Gkalpinos, Ioannis P Gerothanassis

FEBS J· September 2022

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Structural Basis of Artemisinin Binding Sites in Serum Albumin with the Combined Use of NMR and Docking Calculations.
Alexandra Primikyri, Georgios Papamokos, Themistoklis Venianakis, Marianna Sakka, Vassiliki G Kontogianni, Ioannis P Gerothanassis

Molecules· September 2022

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Serum albumin as a primary non-covalent binding protein for nitro-oleic acid.
Lenka Hernychova, Eleni Alexandri, Andreas G Tzakos, Martina Zatloukalová, Alexandra Primikyri, Ioannis P Gerothanassis

Int J Biol Macromol· April 2022

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Analytical and Structural Tools of Lipid Hydroperoxides: Present State and Future Perspectives.
Vassiliki G Kontogianni, Ioannis P Gerothanassis

Molecules· March 2022

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Characterization of Protocatechuate 4,5-Dioxygenase from Sphe3 and In Situ Reaction Monitoring in the NMR Tube.
Epameinondas Tsagogiannis, Elpiniki Vandera, Alexandra Primikyri, Stamatia Asimakoula, Andreas G Tzakos, Ioannis P Gerothanassis

Int J Mol Sci· September 2021

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On the molecular basis of HO/DMSO eutectic mixtures by using phenol compounds as molecular sensors: a combined NMR and DFT study.
Sana Fatima, Panayiotis C Varras, Atia-Tul-Wahab, M Iqbal Choudhary, Michael G Siskos, Ioannis P Gerothanassis

Phys Chem Chem Phys· August 2021

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DFT Calculations of H NMR Chemical Shifts of Geometric Isomers of Conjugated Linolenic Acids, Hexadecatrienyl Pheromones, and Model Triene-Containing Compounds: Structures in Solution and Revision of NMR Assignments.
Themistoklis Venianakis, Christina Oikonomaki, Michael G Siskos, Alexandra Primikyri, Ioannis P Gerothanassis

Molecules· June 2021

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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.
Raheel Ahmed, Panayiotis C Varras, Michael G Siskos, Hina Siddiqui, M Iqbal Choudhary, Ioannis P Gerothanassis

Molecules· October 2020

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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.
Themistoklis Venianakis, Christina Oikonomaki, Michael G Siskos, Panayiotis C Varras, Alexandra Primikyri, Ioannis P Gerothanassis

Molecules· August 2020

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