2021
(179) Skarmoutsos, I.; Petsalakis, I.
D.; Samios, J. The Polar Cosolvent Effect on Caffeine Solvation in
Supercritical CO2-Ethanol Mixtures: A Molecular Modeling Approach. Ind. Eng.
Chem. Res. 2021, 60 (31), 11834–11847.
https://doi.org/10.1021/acs.iecr.1c00956
(178) Tzeli, D.; Petsalakis, I. D.;
Theodorakopoulos, G.; Rahman, F.-U.; Yu, Y.; Rebek Jr., J. The Role of
Electric Field, Peripheral Chains, and Magnetic Effects on Significant H-1
Upfield Shifts of the Encapsulated Molecules in Chalcogen-Bonded Capsules.
Phys. Chem. Chem. Phys. 2021, 23 (35), 19647–19658.
https://doi.org/10.1039/d1cp02277f
2020
(177) Gkini, K.; Verykios, A.; Balis,
N.; Kaltzoglou, A.; Papadakis, M.; Adamis, K. S.; Armadorou, K.-K.; Soultati,
A.; Drivas, C.; Gardelis, S.; Petsalakis, I. D.; Palilis, L. C.; Fakharuddin,
A.; Haider, M. I.; Bao, X.; Kennou, S.; Argitis, P.; Schmidt-Mende, L.;
Coutsolelos, A. G.; Falaras, P.; Vasilopoulou, M. Enhanced Organic and
Perovskite Solar Cell Performance through Modification of the
Electron-Selective Contact with a Bodipy-Porphyrin Dyad. ACS Appl. Mater.
Interfaces 2020, 12 (1), 1120–1131.
https://doi.org/10.1021/acsami.9b17580
(176) Rahman, F.-U.; Tzeli, D.;
Petsalakis, I. D.; Theodorakopoulos, G.; Ballester, P.; Rebek Jr., J.; Yu, Y.
Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces. J.
Am. Chem. Soc. 2020, 142 (12), 5876–5883.
https://doi.org/10.1021/jacs.0c01290
(175) Rahman, F.-U.; Yang, J.-M.; Wan,
Y.-H.; Hui-Bin, Z.; Petsalakis, I. D.; Theodorakopoulos, G.; Rebek Jr., J.;
Yu, Y. Binding Selectivity and Separation Ofp-Functionalized Toluenes with a
Metallo-Cavitand in Water. Chem. Commun. 2020, 56 (51), 6945–6948.
https://doi.org/10.1039/d0cc02778b
(174) Soultati, A.; Verykios, A.;
Panagiotakis, S.; Armadorou, K.-K.; Haider, M. I.; Kaltzoglou, A.; Drivas, C.;
Fakharuddin, A.; Bao, X.; Yang, C.; Yusoff, A. R. bin M.; Evangelou, E. K.;
Petsalakis, I.; Kennou, S.; Falaras, P.; Yannakopoulou, K.; Pistolis, G.;
Argitis, P.; Vasilopoulou, M. Suppressing the Photocatalytic Activity of Zinc
Oxide Electron-Transport Layer in Nonfullerene Organic Solar Cells with a
Pyrene-Bodipy Interlayer. ACS Appl. Mater. Interfaces 2020, 12 (19),
21961–21973.
https://doi.org/10.1021/acsami.0c03147
(173) Tzeli, D.; Petsalakis, I. D.; Theodorakopoulos, G. The Solvent Effect on a Styryl-Bodipy Derivative Functioning as an AND Molecular Logic Gate. Int. J. Quantum Chem. 2020, 120 (11). https://doi.org/10.1002/qua.26181
(172) Tzeli, D.; Petsalakis, I. D.; Theodorakopoulos, G.; Rahman, F.-U.; Ballester, P.; Rebek Jr., J.; Yu, Y. Aromaticity and Chemical Bonding of Chalcogen-Bonded Capsules Featuring Enhanced Magnetic Anisotropy. CHEMPHYSCHEM 2020, 21 (19), 2187–2195. https://doi.org/10.1002/cphc.202000654
2019
(171) Petsalakis, I. D.; Tzeli, D.;
Theodorakopoulos, G.; Rebek Jr., J. Theoretical Investigation on the Binding
of Alkyl Halides and Cyclohexyl Halides in Water-Soluble Cavitands. Chem. Phys.
Lett. 2019, 728, 174–180.
https://doi.org/10.1016/j.cplett.2019.05.007
(170) Rahman, F.-U.; Li, Y.;
Petsalakis, I. D.; Theodorakopoulos, G.; Rebek Jr., J.; Yu, Y. Recognition
with Metallo Cavitands. Proc. Natl. Acad. Sci. U. S. A. 2019, 116 (36),
17648–17653.
https://doi.org/10.1073/pnas.1909154116
(169) Tzeli, D.; Petsalakis, I. D. Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy. J. Chem. 2019, 2019. https://doi.org/10.1155/2019/6793490
(168) Tzeli, D.; Petsalakis, I. D.;
Theodorakopoulos, G. Theoretical Study of the Photophysical Processes of a
Styryl-Bodipy Derivative Eliciting an AND Molecular Logic Gate Response. Int.
J. Quantum Chem. 2019, 119 (16).
https://doi.org/10.1002/qua.25958
2018
(167) Fakis, M.; Beckwith, J. S.;
Seintis, K.; Martinou, E.; Nancoz, C.; Karakostas, N.; Petsalakis, I.;
Pistolis, G.; Vauthey, E. Energy Transfer and Charge Separation Dynamics in
Photoexcited Pyrene-Bodipy Molecular Dyads. Phys. Chem. Chem. Phys. 2018, 20
(2), 837–849.
https://doi.org/10.1039/c7cp06914f
(166) Lathiotakis, N. N.; Kerkines, I.
S. K.; Theodorakopoulos, G.; Petsalakis, I. D. Theoretical Study on Perylene
Derivatives as Fluorescent Sensors for Amines. Chem. Phys. Lett. 2018, 691,
388–393.
https://doi.org/10.1016/j.cplett.2017.11.046
(165) Tountas, M.; Verykios, A.;
Polydorou, E.; Kaltzoglou, A.; Soultati, A.; Balis, N.; Angaridis, P. A.;
Papadakis, M.; Nikolaou, V.; Auras, F.; Palilis, L. C.; Tsikritzis, D.;
Evangelou, E. K.; Gardelis, S.; Koutsoureli, M.; Papaioannou, G.; Petsalakis,
I. D.; Kennou, S.; Davazoglou, D.; Argitis, P.; Falaras, P.; Coutsolelos, A.
G.; Vasilopoulou, M. Engineering of Porphyrin Molecules for Use as Effective
Cathode Interfacial Modifiers in Organic Solar Cells of Enhanced Efficiency and
Stability. ACS Appl. Mater. Interfaces 2018, 10 (24), 20728–20739.
https://doi.org/10.1021/acsami.8b03061
(164) Tzeli, D.; Kozielewicz, P.;
Zloh, M.; Antonow, D.; Tsoungas, P. G.; Petsalakis, I. D. Naphthalene Peri
Annelated N,N- and N,O-Heterocycles: The Effect of Heteroatom-Guided
Peri-Fusion on Their Structure and Reactivity Profiles-A Theoretical Endoscopy.
CHEMISTRYSELECT 2018, 3 (33), 9743–9752.
https://doi.org/10.1002/slct.201801627
(163) Verykios, A.; Papadakis, M.;
Soultati, A.; Skoulikidou, M.-C.; Papaioannou, G.; Gardelis, S.; Petsalakis, I.
D.; Theodorakopoulos, G.; Petropoulos, V.; Palilis, L. C.; Fakis, M.; Vainos,
N. A.; Alexandropoulos, D.; Davazoglou, D.; Pistolis, G.; Argitis, P.;
Coutsolelos, A. G.; Vasilopoulou, M. Functionalized Zinc Porphyrins with
Various Peripheral Groups for Interfacial Electron Injection Barrier Control in
Organic Light Emitting Diodes. ACS OMEGA 2018, 3 (8), 10008–10018.
https://doi.org/10.1021/acsomega.8b01503
(162) Wu, N.-W.; Petsalakis, I. D.;
Theodorakopoulos, G.; Yu, Y.; Rebek Jr., J. Cavitands as Containers for
Alpha,Omega-Dienes and Chaperones for Olefin Metathesis. Angew.
CHEMIE-INTERNATIONAL Ed. 2018, 57 (46), 15091–15095.
https://doi.org/10.1002/anie.201808265
(161) Yu, Y.; Zhang, K.; Petsalakis,
I. D.; Theodorakopoulos, G.; Rebek Jr., J. Asymmetric Binding of Symmetric
Guests in a Water-Soluble Cavitand. Supramol. Chem. 2018, 30 (5–6), 473–478.
https://doi.org/10.1080/10610278.2017.1422868