Works matching AU Tzeli, Demeter

Results: 37

Electron Donor‐Acceptor Complex‐Assisted Photochemical Conversion of O‐2‐Nitrobenzyl Protected Hydroxamates to Amides.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 69, p. 1, doi. 10.1002/chem.202402984

By:

Gerogiannopoulou, Anna‐Dimitra D.;
Mountanea, Olga G.;
Routsi, E. Alexandros;
Tzeli, Demeter;
Kokotos, Christoforos G.;
Kokotos, George

Publication type:

Article

An Efficient Light‐Mediated Protocol for the Direct Amide Bond Formation via a Novel Carboxylic Acid Photoactivation Mode by Pyridine‐CBr4.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 35, p. 1, doi. 10.1002/chem.202300556

By:

Mountanea, Olga G.;
Psathopoulou, Danai;
Mantzourani, Christiana;
Kokotou, Maroula G.;
Routsi, E. Alexandros;
Tzeli, Demeter;
Kokotos, Christoforos G.;
Kokotos, George

Publication type:

Article

The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gate.

Published in:

International Journal of Quantum Chemistry, 2020, v. 120, n. 11, p. 1, doi. 10.1002/qua.26181

By:

Tzeli, Demeter;
Petsalakis, Ioannis D.;
Theodorakopoulos, Giannoula

Publication type:

Article

Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response.

Published in:

International Journal of Quantum Chemistry, 2019, v. 119, n. 16, p. N.PAG, doi. 10.1002/qua.25958

By:

Tzeli, Demeter;
Petsalakis, Ioannis D.;
Theodorakopoulos, Giannoula

Publication type:

Article

Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation.

Published in:

Molecules, 2023, v. 28, n. 15, p. 5646, doi. 10.3390/molecules28155646

By:

Avramopoulos, Aggelos;
Reis, Heribert;
Tzeli, Demeter;
Zaleśny, Robert;
Papadopoulos, Manthos G.

Publication type:

Article

Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra.

Published in:

Molecules, 2023, v. 28, n. 8, p. 3565, doi. 10.3390/molecules28083565

By:

Tzeliou, Christina Eleftheria;
Tzeli, Demeter

Publication type:

Article

Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin.

Published in:

Molecules, 2022, v. 27, n. 17, p. 5490, doi. 10.3390/molecules27175490

By:

Vakali, Vasiliki;
Papadourakis, Michail;
Georgiou, Nikitas;
Zoupanou, Nikoletta;
Diamantis, Dimitrios A.;
Javornik, Uroš;
Papakyriakopoulou, Paraskevi;
Plavec, Janez;
Valsami, Georgia;
Tzakos, Andreas G.;
Tzeli, Demeter;
Cournia, Zoe;
Mauromoustakos, Thomas

Publication type:

Article

Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives.

Published in:

Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144548

By:

Georgiou, Nikitas;
Cheilari, Antigoni;
Karta, Danai;
Chontzopoulou, Eleni;
Plavec, Janez;
Tzeli, Demeter;
Vassiliou, Stamatia;
Mavromoustakos, Thomas

Publication type:

Article

Review on the QM/MM Methodologies and Their Application to Metalloproteins.

Published in:

Molecules, 2022, v. 27, n. 9, p. 2660, doi. 10.3390/molecules27092660

By:

Tzeliou, Christina Eleftheria;
Mermigki, Markella Aliki;
Tzeli, Demeter

Publication type:

Article

Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets.

Published in:

Molecules, 2022, v. 27, n. 8, p. N.PAG, doi. 10.3390/molecules27082537

By:

Georgiou, Nikitas;
Katsogiannou, Aikaterini;
Skourtis, Dimitrios;
Iatrou, Hermis;
Tzeli, Demeter;
Vassiliou, Stamatia;
Javornik, Uroš;
Plavec, Janez;
Mavromoustakos, Thomas

Publication type:

Article

Losartan Interactions with 2-Hydroxypropyl-β-CD.

Published in:

Molecules, 2022, v. 27, n. 8, p. N.PAG, doi. 10.3390/molecules27082421

By:

Palli, Vasiliki;
Leonis, Georgios;
Zoupanou, Nikoletta;
Georgiou, Nikitas;
Chountoulesi, Maria;
Naziris, Nikolaos;
Tzeli, Demeter;
Demetzos, Costas;
Valsami, Georgia;
Marousis, Konstantinos D.;
Spyroulias, Georgios A.;
Mavromoustakos, Thomas

Publication type:

Article

Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study.

Published in:

Molecules, 2020, v. 25, n. 24, p. 5853, doi. 10.3390/molecules25245853

By:

Skoko, Sulejman;
Ambrosetti, Matteo;
Giovannini, Tommaso;
Cappelli, Chiara;
Tzeli, Demeter;
Wetmore, Stacey

Publication type:

Article

Computational and Spectroscopic Studies on the Formation of Halogen‐Bonded Complexes Between Tertiary Amines and CBr4 and Application in the Light‐Mediated Amino Acid Coupling.

Published in:

ChemPlusChem, 2024, v. 89, n. 9, p. 1, doi. 10.1002/cplu.202400019

By:

Routsi, E. Alexandros;
Mantzourani, Christiana;
Rrapi, Marie;
Mountanea, Olga G.;
Kokotou, Maroula G.;
Tzeli, Demeter;
Kokotos, Christoforos G.;
Kokotos, George

Publication type:

Article

Self Cycloaddition of o‐Naphthoquinone Nitrosomethide to (±) Spiro{naphthalene(naphthopyranofurazan)}‐one Oxide: An Insight into its Formation.

Published in:

ChemPlusChem, 2022, v. 87, n. 12, p. 1, doi. 10.1002/cplu.202200313

By:

Tzeli, Demeter;
Gerontitis, Ioannis E.;
Petsalakis, Ioannis D.;
Tsoungas, Petros G.;
Varvounis, George

Publication type:

Article

Electronic Structure of the Low‐Lying States of the Triatomic MoS2 Molecule: The Building Block of 2D MoS2.

Published in:

ChemPhysChem, 2023, v. 24, n. 21, p. 1, doi. 10.1002/cphc.202300365

By:

Mermigki, Markella A.;
Karapetsas, Ioannis;
Tzeli, Demeter

Publication type:

Article

Molecular Logic Gates Based on Ferrocene-Containing Compounds.

Published in:

Inorganics, 2024, v. 12, n. 4, p. 106, doi. 10.3390/inorganics12040106

By:

Tzeliou, Christina Eleftheria;
Zois, Konstantinos P.;
Tzeli, Demeter

Publication type:

Article

Structure assignment, conformational properties and discovery of potential targets of the Ugi cinnamic adduct NGI25.

Published in:

Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 4, p. 1253, doi. 10.1080/07391102.2021.2017356

By:

Georgiou, Nikitas;
Gouleni, Niki;
Chontzopoulou, Eleni;
Skoufas, George S.;
Gkionis, Anastasios;
Tzeli, Demeter;
Vassiliou, Stamatia;
Mavromoustakos, Thomas

Publication type:

Article

Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 23, p. 12608, doi. 10.1080/07391102.2021.1973565

By:

Chontzopoulou, Eleni;
Papaemmanouil, Christina D.;
Chatziathanasiadou, Maria V.;
Kolokouris, Dimitrios;
Kiriakidi, Sofia;
Konstantinidi, Athina;
Gerogianni, Ioanna;
Tselios, Theodore;
Kostakis, Ioannis K.;
Chrysina, Evangelia D.;
Hadjipavlou-Litina, Dimitra;
Tzeli, Demeter;
Tzakos, Andreas G.;
Mavromoustakos, Thomas

Publication type:

Article

Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy.

Published in:

ChemPhysChem, 2020, v. 21, n. 19, p. 2187, doi. 10.1002/cphc.202000654

By:

Tzeli, Demeter;
Petsalakis, Ioannis D.;
Theodorakopoulos, Giannoula;
Rahman, Faiz‐Ur;
Ballester, Pablo;
Rebek, Julius;
Yu, Yang

Publication type:

Article

Evaluation of Crocin as green corrosion inhibitor for aluminum in NaCl solution.

Published in:

Chemical Engineering Communications, 2023, v. 210, n. 10, p. 1756, doi. 10.1080/00986445.2022.2147834

By:

Pantazopoulou, Paraskevi;
Kalogeropoulou, Sofia;
Theohari, Stamatina;
Papamichalis, Eleftherios;
Tzeli, Demeter

Publication type:

Article

The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 7, p. 1, doi. 10.1007/s00214-014-1503-8

By:

Tzeli, Demeter;
Petsalakis, Ioannis;
Theodorakopoulos, Giannoula;
Ajami, Dariush;
Rebek, Julius

Publication type:

Article

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.

Published in:

ChemistrySelect, 2018, v. 3, n. 33, p. 9743, doi. 10.1002/slct.201801627

By:

Tzeli, Demeter;
Kozielewicz, Pawel;
Zloh, Mire;
Antonow, Dyeison;
Tsoungas, Petros G.;
Petsalakis, Ioannis D.

Publication type:

Article

Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in Furin.

Published in:

Current Issues in Molecular Biology, 2024, v. 46, n. 8, p. 8226, doi. 10.3390/cimb46080486

By:

Georgiou, Nikitas;
Mavromoustakos, Thomas;
Tzeli, Demeter

Publication type:

Article

Quadruple chemical bonding in the diatomic anions TcN−, RuC−, RhB−, and PdBe−.

Published in:

Journal of Computational Chemistry, 2021, v. 42, n. 16, p. 1126, doi. 10.1002/jcc.26527

By:

Tzeli, Demeter

Publication type:

Article

Electronic States of Epigallocatechin-3-Gallate in Water and in 1,2-dipalmitoyl-sn-glycero-3-phospho-(1′-rac-glycerol) (Sodium Salt) Liposomes.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 3, p. 1084, doi. 10.3390/ijms26031084

By:

Pires, Filipa;
Tzeli, Demeter;
Jones, Nykola C.;
Hoffmann, Søren V.;
Raposo, Maria

Publication type:

Article

The Effect of A-Cation and X-Anion Substitutions on the Electronic and Structural Properties of A 2 ZrX 6 'Defect' Perovskite Materials: A Theoretical Density Functional Theory Study.

Published in:

Materials (1996-1944), 2025, v. 18, n. 3, p. 726, doi. 10.3390/ma18030726

By:

Kolokytha, Christina;
Lathiotakis, Nektarios N.;
Kaltzoglou, Andreas;
Petsalakis, Ioannis D.;
Tzeli, Demeter

Publication type:

Article

Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy.

Published in:

Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/6793490

By:

Tzeli, Demeter;
Petsalakis, Ioannis D.

Publication type:

Article

Synthesis of Anti-Inflammatory Drugs' Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molecular Modeling.

Published in:

Pharmaceuticals (14248247), 2025, v. 18, n. 1, p. 88, doi. 10.3390/ph18010088

By:

Georgiou, Nikitas;
Tzani, Andromachi;
Vavougyiou, Kyriaki;
Papadopoulos, Christos;
Eleftheriadis, Nikolaos;
Šket, Primož;
Tzeli, Demeter;
Niemi-Aro, Tuomas;
Detsi, Anastasia;
Mavromoustakos, Thomas

Publication type:

Article

Theoretical study of free and encapsulated carboxylic acid and amide dimers.

Published in:

International Journal of Quantum Chemistry, 2013, v. 113, n. 5, p. 734, doi. 10.1002/qua.24062

By:

Tzeli, Demeter;
Petsalakis, Ioannis D.;
Theodorakopoulos, Giannoula;
Ajami, Dariush;
Rebek, Julius

Publication type:

Article

CH(X2∏, a4∑-) ... OH2 and CH2(&Xtilde;3B1, ã1A1) ... OH2 interactions. A first principles investigation.

Published in:

International Journal of Quantum Chemistry, 2005, v. 104, n. 4, p. 497, doi. 10.1002/qua.20637

By:

Tzeli, Demeter;
Mavridis, Aristides

Publication type:

Article

Spectroscopic Characterization Using 1 H and 13 C Nuclear Magnetic Resonance and Computational Analysis of the Complex of Donepezil with 2,6-Methyl-β-Cyclodextrin and Hydroxy Propyl Methyl Cellulose.

Published in:

Molecules, 2025, v. 30, n. 5, p. 1169, doi. 10.3390/molecules30051169

By:

Zoupanou, Nikoletta;
Papakyriakopoulou, Paraskevi;
Georgiou, Nikitas;
Cheilari, Antigoni;
Javornik, Uroš;
Podbevsek, Peter;
Tzeli, Demeter;
Valsami, Georgia;
Mavromoustakos, Thomas

Publication type:

Article

Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets.

Published in:

Molecules, 2024, v. 29, n. 11, p. 2458, doi. 10.3390/molecules29112458

By:

Georgiou, Nikitas;
Karta, Danai;
Cheilari, Antigoni;
Merzel, Franci;
Tzeli, Demeter;
Vassiliou, Stamatia;
Mavromoustakos, Thomas

Publication type:

Article

Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB.

Published in:

Molecules, 2023, v. 28, n. 24, p. 8016, doi. 10.3390/molecules28248016

By:

Demetriou, Constantinos;
Tzeliou, Christina Eleftheria;
Androutsopoulos, Alexandros;
Tzeli, Demeter

Publication type:

Article

A DFT Study towards the Amide cis‐trans Isomerization Process of the Myc‐Max Inhibitor Mycro 3 and Its Photophysical Properties; Synthesis and NMR Studies of the trans‐Conformation.

Published in:

ChemistrySelect, 2022, v. 7, n. 25, p. 1, doi. 10.1002/slct.202201639

By:

Mamalis, Dimitrios;
Panagiotopoulou, Angeliki;
Couladouros, Elias A.;
Tzeli, Demeter;
Vidali, Veroniki P.

Publication type:

Article

N,N‐ and N,O‐6‐membered Ring peri‐Annelation in Naphthalene. Is it a Heteroring or merely a peri‐ Heterobridge?

Published in:

ChemistrySelect, 2021, v. 6, n. 5, p. 951, doi. 10.1002/slct.202004237

By:

Tzeli, Demeter;
Tsoungas, Petros G.

Publication type:

Article

A Critical Look at Density Functional Theory in Chemistry: Untangling Its Strengths and Weaknesses.

Published in:

Atoms (2218-2004), 2024, v. 12, n. 12, p. 65, doi. 10.3390/atoms12120065

By:

Zois, Konstantinos P.;
Tzeli, Demeter

Publication type:

Article

Reactivity and Mechanism of Photo- and Electrocatalytic Hydrogen Evolution by a Diimine Copper(I) Complex.

Published in:

Catalysts (2073-4344), 2020, v. 10, n. 11, p. 1302, doi. 10.3390/catal10111302

By:

Drosou, Maria;
Kamatsos, Fotios;
Ioannidis, George;
Zarkadoulas, Athanasios;
Mitsopoulou, Christiana A.;
Papatriantafyllopoulou, Constantina;
Tzeli, Demeter

Publication type:

Article

Works matching AU Tzeli, Demeter

Electron Donor‐Acceptor Complex‐Assisted Photochemical Conversion of O‐2‐Nitrobenzyl Protected Hydroxamates to Amides.

An Efficient Light‐Mediated Protocol for the Direct Amide Bond Formation via a Novel Carboxylic Acid Photoactivation Mode by Pyridine‐CBr<sub>4</sub>.

The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gate.

Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response.

Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation.

Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra.

Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin.

Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives.

Review on the QM/MM Methodologies and Their Application to Metalloproteins.

Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets.

Losartan Interactions with 2-Hydroxypropyl-β-CD.

Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study.

Computational and Spectroscopic Studies on the Formation of Halogen‐Bonded Complexes Between Tertiary Amines and CBr<sub>4</sub> and Application in the Light‐Mediated Amino Acid Coupling.

Self Cycloaddition of o‐Naphthoquinone Nitrosomethide to (±) Spiro{naphthalene(naphthopyranofurazan)}‐one Oxide: An Insight into its Formation.

Electronic Structure of the Low‐Lying States of the Triatomic MoS<sub>2</sub> Molecule: The Building Block of 2D MoS<sub>2</sub>.

Molecular Logic Gates Based on Ferrocene-Containing Compounds.

Structure assignment, conformational properties and discovery of potential targets of the Ugi cinnamic adduct NGI25.

Molecular investigation of artificial and natural sweeteners as potential anti-inflammatory agents.

Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy.

Evaluation of Crocin as green corrosion inhibitor for aluminum in NaCl solution.

The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids.

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.

Docking, MD Simulations, and DFT Calculations: Assessing W254's Function and Sartan Binding in Furin.

Quadruple chemical bonding in the diatomic anions TcN<sup>−</sup>, RuC<sup>−</sup>, RhB<sup>−</sup>, and PdBe<sup>−</sup>.

Electronic States of Epigallocatechin-3-Gallate in Water and in 1,2-dipalmitoyl-sn-glycero-3-phospho-(1′-rac-glycerol) (Sodium Salt) Liposomes.

The Effect of A-Cation and X-Anion Substitutions on the Electronic and Structural Properties of A 2 ZrX 6 'Defect' Perovskite Materials: A Theoretical Density Functional Theory Study.

Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy.

Synthesis of Anti-Inflammatory Drugs' Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molecular Modeling.

Theoretical study of free and encapsulated carboxylic acid and amide dimers.

CH(X<sup>2</sup>∏, a<sup>4</sup>∑<sup>-</sup>) ... OH<sub>2</sub> and CH<sub>2</sub>(&Xtilde;<sup>3</sup>B<sub>1</sub>, ã<sup>1</sup>A<sub>1</sub>) ... OH<sub>2</sub> interactions. A first principles investigation.

Spectroscopic Characterization Using 1 H and 13 C Nuclear Magnetic Resonance and Computational Analysis of the Complex of Donepezil with 2,6-Methyl-β-Cyclodextrin and Hydroxy Propyl Methyl Cellulose.

Synthesis of Thiazolidin-4-Ones Derivatives, Evaluation of Conformation in Solution, Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets.

Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB.

A DFT Study towards the Amide cis‐trans Isomerization Process of the Myc‐Max Inhibitor Mycro 3 and Its Photophysical Properties; Synthesis and NMR Studies of the trans‐Conformation.

N,N‐ and N,O‐6‐membered Ring peri‐Annelation in Naphthalene. Is it a Heteroring or merely a peri‐ Heterobridge?

A Critical Look at Density Functional Theory in Chemistry: Untangling Its Strengths and Weaknesses.

Reactivity and Mechanism of Photo- and Electrocatalytic Hydrogen Evolution by a Diimine Copper(I) Complex.