Environmental Chemistry and Remediation, Chemical Reaction Mechanisms, Theoretical Prediction of Molecular Properties


Dr. Yannis G. Lazarou graduated from the National and Kapodistrian University of Athens, obtaining his B.Sc. in Chemistry in 1984. His early research interests focused in complexes of metals in high oxidation states and mixed-valence complexes of Nb and Ta with alcohols. In 1985, he entered the Graduate Programme of the Department of Chemistry at the University of Crete, to work in the Laboratory of Photochemistry and Chemical Kinetics. In 1993, he obtained his PhD on the "Study of the Decomposition Mechanism and Chemical Reactivity of Nitramines in the Gas Phase". As a post-doctoral fellow, he studied the mechanism and kinetics of chlorine atom reactions with a variety of chemical compounds using the Very Low Pressure Reactor (VLPR) coupled to a quadrupole mass spectrometer. More specifically, he focused on the atmospheric degradation of halogenated organic compounds, especially CFC substitutes and bromine/iodine containing compounds. In parallel, he used theoretical chemistry in order to predict the molecular properties and reactivity of environmentally important species. During 1995-1998 he was teaching General Chemistry (class and lab), Computational Chemistry and Physical Chemistry in the Chemistry Department of the University of Crete. In 1999, he was elected Researcher C' in the Institute of Physical Chemistry, NCSR "Demokritos". He is the head of the Laboratory of Molecular Computational Chemistry in the Institute of Nanoscience and Nanotechnology in NCSR "D", performing theoretical calculations in molecular and supramolecular systems using ab-initio, density-functional theory (DFT) and semi-emprirical methods. His research activity embraces the reliable prediction of chemical properties, the study of chemical reaction mechanisms and the accuracy assessment of computational chemistry methodologies.


Agnes, M., Kasimati, E.M., Inclán, M., Thanassoulas, A., Miliotis, G., Malanga, M., Benkovics, G., Nounesis, G., García-España, E., Bouziotis, P., Lazarou, Y.G., Miriagou, V., Mavridis, I.M. and Yannakopoulou, K., Metal-binding cyclodextrins: Synthesis and complexation with Zn2+ and Ga3+ cations towards antimicrobial applications Carbohydrate Polymers, Volume 321, Article Number: 121323, 2023 [doi]

Spyropoulou, A.E., Lazarou, Y.G., Sapalidis, A.A. and Laspidou, C.S., Geochemical modeling of mercury in coastal groundwater Chemosphere, Volume 286, Article Number: 131609, 2022 [doi]

Mekic, M., Zeng, J., Jiang, B., Li, X., Lazarou, Y.G., Brigante, M., Herrmann, H. and Gligorovski, S., Formation of Toxic Unsaturated Multifunctional and Organosulfur Compounds From the Photosensitized Processing of Fluorene and DMSO at the Air-Water Interface Journal of Geophysical Research: Atmospheres, Volume 125, Article Number: e2019JD031839, 2020 [doi]

Mekic, M., Liu, J., Zhou, W., Loisel, G., Cai, J., He, T., Jiang, B., Yu, Z., Lazarou, Y.G., Li, X., Brigante, M., Vione, D. and Gligorovski, S., Formation of highly oxygenated multifunctional compounds from cross-reactions of carbonyl compounds in the atmospheric aqueous phase Atmospheric Environment, Volume 219, Article Number: 117046, 2019 [doi]

Rodriguez-Ruiz, V., Maksimenko, A., Salzano, G., Lampropoulou, M., Lazarou, Y.G., Agostoni, V., Couvreur, P., Gref, R. and Yannakopoulou, K., Positively charged cyclodextrins as effective molecular transporters of active phosphorylated forms of gemcitabine into cancer cells Scientific Reports, Volume 7, Article Number: 8353, 2017 [doi]

Archimandritis, A.S., Papadimitriou, T., Kormas, K.A., Laspidou, C.S., Yannakopoulou, K. and Lazarou, Y.G., Theoretical investigation of microcystin-LR, microcystin-RR and nodularin-R complexation with α-, β-, and γ-cyclodextrin as a starting point for the targeted design of efficient cyanotoxin traps Sustainable Chemistry and Pharmacy, Volume 3, Pages: 25-32, 2016 [doi]

Kalyva, M., Zografos, A.L., Kapourani, E., Giambazolias, E., Devel, L., Papakyriakou, A., Dive, V., Lazarou, Y.G. and Georgiadis, D., Probing the mechanism of allylic substitution of morita-baylis- Hillman acetates (MBHAS) by using the silyl phosphonite paradigm: Scope and applications of a versatile transformation Chemistry - A European Journal, Volume 21, Pages: 3278-3289, 2015 [doi]

Manouilidou, M.D., Lazarou, Y.G., Mavridis, I.M. and Yannakopoulou, K., Staudinger ligation towards cyclodextrin dimers in aqueous/organic media. Synthesis, conformations and guest-encapsulation ability Beilstein Journal of Organic Chemistry, Volume 10, Pages: 774-783, 2014 [doi]

Piras, L., Theodossiou, T.A., Manouilidou, M.D., Lazarou, Y.G., Sortino, S. and Yannakopoulou, K., S-nitroso-β-cyclodextrins as new bimodal carriers: Preparation, detailed characterization, nitric-oxide release, and molecular encapsulation Chemistry - An Asian Journal, Volume 8, Pages: 2768-2778, 2013 [doi]

Papadimitriou, V.C., Lazarou, Y.G., Talukdar, R.K. and Burkholder, J.B., Atmospheric chemistry of CF3CF - CH2 and (Z)-CF 3CF - CHF: Cl and NO3 rate coefficients, Cl reaction product yields, and thermochemical calculations Journal of Physical Chemistry A, Volume 115, Pages: 167-181, 2011 [doi]

Maffeo, D., Lampropoulou, M., Fardis, M., Lazarou, Y.G., Mavridis, I.M., Mavridou, D.A.I., Urso, E., Pratsinis, H., Kletsas, D. and Yannakopoulou, K., Novel polycarboxylated EDTA-type cyclodextrins as ligands for lanthanide binding: Study of their luminescence, relaxivity properties of Gd(iii) complexes, and PM3 theoretical calculations Organic and Biomolecular Chemistry, Volume 8, Pages: 1910-1921, 2010 [doi]

Skip to content