Giannoula Theodorakopoulos
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Explore the profile of Giannoula Theodorakopoulos including associated specialties, affiliations and a list of published articles.
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30
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Recent Articles
1.
Tzeli D, Petsalakis I, Theodorakopoulos G, Rahman F, Yu Y, Rebek Jr J
Phys Chem Chem Phys
. 2021 Sep;
23(35):19647-19658.
PMID: 34524297
The chalcogen-bonded homo-cavitand and hetero-cavitand AY+AY' capsules (Y, Y' = Se, Te), as well as their encapsulated complexes with one or two guest molecules have been studied theoretically density functional...
2.
Aromaticity and Chemical Bonding of Chalcogen-Bonded Capsules Featuring Enhanced Magnetic Anisotropy
Tzeli D, Petsalakis I, Theodorakopoulos G, Rahman F, Ballester P, Rebek Jr J, et al.
Chemphyschem
. 2020 Jul;
21(19):2187-2195.
PMID: 32725859
We present a theoretical study of chalcogen bonded container capsules (A +A ) where X=O, S, Se, and Te, and their encapsulation complexes with n-C H (n-C H @A +A...
3.
Rahman F, Yang J, Wan Y, Zhang H, Petsalakis I, Theodorakopoulos G, et al.
Chem Commun (Camb)
. 2020 May;
56(51):6945-6948.
PMID: 32436496
A metallo-cavitand (1-2Pd) showed unprecedented binding selectivity and sequestration of p-functionalized toluene isomers in water. The host-guest complexation was studied using 1H and COSY NMR methods and xylene-isomer complexes were...
4.
Rahman F, Tzeli D, Petsalakis I, Theodorakopoulos G, Ballester P, Rebek Jr J, et al.
J Am Chem Soc
. 2020 Mar;
142(12):5876-5883.
PMID: 32125842
Supramolecular capsules are desirable containers for the study of molecular behavior in small spaces and offer applications in transport, catalysis, and material science. We report here the use of chalcogen...
5.
Verykios A, Papadakis M, Soultati A, Skoulikidou M, Papaioannou G, Gardelis S, et al.
ACS Omega
. 2019 Aug;
3(8):10008-10018.
PMID: 31459129
Here, we use a simple and effective method to accomplish energy level alignment and thus electron injection barrier control in organic light emitting diodes (OLEDs) with a conventional architecture based...
6.
Rahman F, Li Y, Petsalakis I, Theodorakopoulos G, Rebek Jr J, Yu Y
Proc Natl Acad Sci U S A
. 2019 Aug;
116(36):17648-17653.
PMID: 31427538
We describe here the effects of metal complexation on the molecular recognition behavior of cavitands with quinoxaline walls. The nitrogen atoms of the quinoxalines are near the upper rim of...
7.
Wu N, Petsalakis I, Theodorakopoulos G, Yu Y, Rebek Jr J
Angew Chem Int Ed Engl
. 2018 Sep;
57(46):15091-15095.
PMID: 30246478
Described herein is the behavior of α,ω-dienes sequestered within cavitands in aqueous (D O) solution. Hydrophobic forces drive the dienes into the cavitands in conformations that best fill the available...
8.
Tzeli D, Petsalakis I, Theodorakopoulos G
Phys Chem Chem Phys
. 2016 Nov;
18(47):32132-32145.
PMID: 27847950
In the present work, we examine the possibility of a benzo-18-crown-6 ether of styrylquinoline molecule (1) in acetonitrile solvent to act as a sensor for the Ca cation and as...
9.
Gavette J, Petsalakis I, Theodorakopoulos G, Zhang K, Yu Y, Rebek Jr J
Chem Commun (Camb)
. 2015 Oct;
51(99):17604-6.
PMID: 26482864
Encapsulation of amphiphilic guests in a water-soluble cavitand is enhanced by the addition of hexafluoroisopropanol (HFIP). While binding of n-alkanes in cavitands in HFIP/D2O mixtures was similar to that observed...
10.
Petsalakis I, Theodorakopoulos G, Whitten J
Phys Chem Chem Phys
. 2014 Nov;
17(1):428-33.
PMID: 25407888
Density functional theory calculations have been employed to determine optimized geometries for different (Cu2O)n clusters for n = 1 to 6, 12 and 18. The results show the formation of...