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1.

001-es BibID:BIBFORM106980
035-os BibID:(WoS)000643574200067 (Scopus)85100045839
Első szerző:Garda Zoltán (vegyész)
Cím:Complexation of Mn(II) by Rigid Pyclen Diacetates: Equilibrium, Kinetic, Relaxometric, Density Functional Theory, and Superoxide Dismutase Activity Studies / Zoltán Garda, Enikő Molnár, Nadège Hamon, José Luis Barriada, David Esteban-Gómez, Balázs Váradi, Viktória Nagy, Kristof Pota, Ferenc Krisztián Kálmán, Imre Tóth, Norbert Lihi, Carlos Platas-Iglesias, Éva Tóth, Raphaël Tripier, Gyula Tircsó
Dátum:2021
ISSN:0020-1669 1520-510X
Megjegyzések:We report the Mn(II) complexes with two pyclen-based ligands (pyclen = 3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene) functionalized with acetate pendant arms at either positions 3,6 (3,6-PC2A) or 3,9 (3,9-PC2A) of the macrocyclic fragment. The 3,6-PC2A ligand was synthesized in five steps from pyclen oxalate by protecting one of the secondary amine groups of pyclen using Alloc protecting chemistry. The complex with 3,9-PC2A is characterized by a higher thermodynamic stability [log K-MnL = 17.09(2)] than the 3,6-PC2A analogue [log K-MnL = 15.53(1); 0.15 M NaCl]. Both complexes contain a water molecule coordinated to the metal ion, which results in relatively high H-1 relaxivities (r(1p) = 2.72 and 2.91 mM(-1) s(-1) for the complexes with 3,6-PC2A and 3,9-PC2A, respectively, at 25 degrees C and 0.49 T). The coordinated water molecule displays fast exchange kinetics with the bulk in both cases; the rates (k(ex)(298)) are 140 x 10(6) and 126 x 10(6) s(-1) for [Mn(3,6-PC2A)(H2O)] and [Mn(3,9-PC2A)(H2O)], respectively. The two complexes were found to be remarkably inert with respect to their dissociation, with half-lives of 63 and 21 h, respectively, at pH = 7.4 in the presence of excess Cu(II). The r(1p) values recorded in blood serum remain constant at least over a period of 120 h. Cyclic voltammetry experiments show irreversible oxidation features shifted to higher potentials with respect to [Mn(EDTA)(H2O)](2-) (H(4)EDTA = ethylenediaminetetraacetic acid) and [Mn(PhDTA)(H2O)](2-) (H(4)PhDTA = phenylenediamine-N,N,N',N'-tetraacetic acid), indicating that the PC2A complexes reported here have a lower tendency to stabilize Mn(III). The superoxide dismutase activity of the Mn(II) complexes was tested using the xanthine/xanthine oxidase/p-nitro blue tetrazolium chloride assay at pH = 7.8. The Mn(II) complexes of 3,6-PC2A and 3,9-PC2A are capable of assisting decomposition of the superoxide anion radical. The kinetic rate constant of the complex of 3,9-PC2A is smaller by 1 order of magnitude than that of 3,6-PC2A.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Inorganic Chemistry. - 60 : 2 (2021), p. 1133-1148. -
További szerzők:Molnár Enikő (1991-) (vegyész) Hamon, Nadège Barriada, José Luis Esteban-Gómez, David Váradi Balázs (1990-) (vegyész) Nagy Viktória Póta Kristóf Kálmán Ferenc K. (1978-) (vegyész) Tóth Imre (1950-) (vegyész) Lihi Norbert (1990-) (vegyész) Platas-Iglesias, Carlos Tóth Éva (1967-) (koordinációs kémia) Tripier, Raphaël Tircsó Gyula (1977-) (vegyész, kémia tanár)
Pályázati támogatás:K-120224
OTKA
128201
OTKA
134694
OTKA
PD-128326
OTKA
2019-2.1.11- 1179 TET-2019-00084
Egyéb
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2.

001-es BibID:BIBFORM103530
035-os BibID:(WOS)000541873600033 (Scopus)85084399701
Első szerző:Garda Zoltán (vegyész)
Cím:Unexpected Trends in the Stability and Dissociation Kinetics of Lanthanide(III) Complexes with Cyclen-Based Ligands across the Lanthanide Series / Zoltán Garda, Viktoria Nagy, Aurora Rodríguez-Rodríguez, Rosa Pujales-Paradela, Véronique Patinec, Goran Angelovski, Éva Tóth, Ferenc K. Kálmán, David Esteban-Gómez, Raphaël Tripier, Carlos Platas-Iglesias, Gyula Tircsó
Dátum:2020
ISSN:0020-1669 1520-510X
Megjegyzések:We report a detailed study of the thermodynamic stability and dissociation kinetics of lanthanide complexes with two ligands containing a cyclen unit, a methyl group, a picolinate arm, and two acetate pendant arms linked to two nitrogen atoms of the macrocycle in either cis (1,4-H(3)DO2APA) or trans (1,7-H(3)DO2APA) positions. The stability constants of the Gd3+ complexes with these two ligands are very similar, with log K-GdL values of 16.98 and 16.33 for the complexes of 1,4-H(3)DO2APA and 1,7-H(3)DO2APA, respectively. The stability constants of complexes with 1,4-H(3)DO2APA follow the usual trend, increasing from log K-LaL = 15.96 to log K-LuL = 19.21. However, the stability of [Ln(1,7-DO2APA)] complexes decreases from log K = 16.33 for Gd3+ to 14.24 for Lu3+. The acid-catalyzed dissociation rates of the Gd3+ complexes differ by a factor of similar to 15, with rate constants (k(1)) of 1.42 and 23.5 M(-1)s(-1) for [Gd(1,4-DO2APA)] and [Gd(1,7DO2APA)], respectively. This difference is magnified across the lanthanide series to reach a 5 orders of magnitude higher k(1) for [Yb(1,7-DO2APA)] (1475 M(-1)s(-1)) than for [Yb(1,4-DO2APA)] (5.79 x 10(-3)M(-1)s(-1)).The acid catalyzed mechanism involves the protonation of a carboxylate group, followed by a cascade of proton-transfer events that result in the protonation of a nitrogen atom of the cyclen unit. Density functional theory calculations suggest a correlation between the strength of the Ln-O-carboxylate bonds and the kinetic inertness of the complex, with stronger bonds providing more inert complexes. The H-1 NMR resonance of the coordinated water molecule in the [Yb(1,7-DO2APA)] complex at 176 ppm provides a sizable chemical exchange saturation transfer effect thanks to a slow water exchange rate of (15.9 +/- 1.6) x 10(3) s(-1).
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Inorganic Chemistry. - 59 : 12 (2020), p. 8184-8195. -
További szerzők:Nagy Viktória Rodríguez-Rodríguez, Aurora Pujales-Paradela, Rosa Patinec, Véronique Angelovski, Goran Tóth Éva Kálmán Ferenc K. (1978-) (vegyész) Esteban-Gómez, David Tripier, Raphaël Platas-Iglesias, Carlos Tircsó Gyula (1977-) (vegyész, kémia tanár)
Pályázati támogatás:GINOP-2.3.2-15-2016-00008
GINOP
NKFIH-K-120224
Egyéb
NKFIH-K-128201
Egyéb
2019-2.1.11-TÉT-2019-00084
Egyéb
Internet cím:Szerző által megadott URL
DOI
Intézményi repozitóriumban (DEA) tárolt változat
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3.

001-es BibID:BIBFORM076226
035-os BibID:(WoS)000433013600028 (Scopus)85047315800
Első szerző:Gündüz, Serhat
Cím:Coordination Properties of GdDO3A-Based Model Compounds of Bioresponsive MRI Contrast Agents / Serhat Gündüz, Sandip Vibhute, Richard Botár, Ferenc K. Kálmán, Imre Tóth, Gyula Tircsó, Martín Regueiro-Figueroa, David Esteban-Gómez, Carlos Platas-Iglesias, Goran Angelovski
Dátum:2018
ISSN:0020-1669 1520-510X
Megjegyzések:We report a detailed characterization of the thermodynamic stability and dissociation kinetics of Gd3+ complexes with DO3A derivatives containing a (methylethylcarbamoylmethylamino)acetic acid (L1), (methylpropylcarbamoylmethylamino)acetic acid (L2), 2-dimethylamino-N-ethylacetamide (L3), or 2-dimethylamino-N-propylacetamide (L4) group attached to the fourth nitrogen atom of the macrocyclic unit. These ligands are model systems of Ca2+- and Zn2+-responsive contrast agents (CA) for application in magnetic resonance imaging (MRI). The results of the potentiometric studies (I = 0.15 M NaCl) provide stability constants with log KGdL values in the range 13.9?14.8. The complex speciation in solution was found to be quite complicated due to the formation of protonated species at low pH, hydroxido complexes at high pH, and stable dinuclear complexes in the case of L1,2. At neutral pH significant fractions of the complexes are protonated at the amine group of the amide side chain (log KGdL?H = 7.2?8.1). These ligands form rather weak complexes with Mg2+ and Ca2+ but very stable complexes with Cu2+ (log KCuL = 20.4?22.3) and Zn2+ (log KZnL = 15.5?17.6). Structural studies using a combination of 1H NMR and luminescence spectroscopy show that the amide group of the ligand is coordinated to the metal ion at pH ?8.5, while protonation of the amine group provokes the decoordination of the amide O atom and a concomitant increase in the hydration number and proton relaxivity. The dissociation of the complexes occurs mainly through a rather efficient proton-assisted pathway, which results in kinetic inertness comparable to that of nonmacrocyclic ligands such as DTPA rather than DOTA-like complexes.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Inorganic Chemistry. - 57 : 10 (2018), p. 5973-5986. -
További szerzők:Vibhute, Sandip Botár Richárd (1992-) (vegyész) Kálmán Ferenc K. (1978-) (vegyész) Tóth Imre (1950-) (vegyész) Tircsó Gyula (1977-) (vegyész, kémia tanár) Regueiro-Figueroa, Martín Esteban-Gómez, David Platas-Iglesias, Carlos Angelovski, Goran
Pályázati támogatás:GINOP-2.3.2-15-2016-00008
GINOP
GINOP-2.3.3-15-2016-00004
GINOP
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Intézményi repozitóriumban (DEA) tárolt változat
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4.

001-es BibID:BIBFORM106987
035-os BibID:(Wos)000645403400001 (Scopus)85103919865 (cikkazonosító)1524
Első szerző:Kálmán Ferenc K. (vegyész)
Cím:Expanding the Ligand Classes Used for Mn(II) Complexation: Oxa-aza Macrocycles Make the Difference / Ferenc K. Kálmán, Viktória Nagy, Rocío Uzal-Varela, Paulo Pérez-Lourido, David Esteban-Gómez,Zoltán Garda, Kristof Pota, Roland Mezei, Agnès Pallier, Éva Tóth, Carlos Platas-Iglesias, Gyula Tircsó
Dátum:2021
ISSN:1420-3049
Megjegyzések:We report two macrocyclic ligands based on a 1,7-diaza-12-crown-4 platform functionalizedwith acetate (tO2DO2A2?) or piperidineacetamide (tO2DO2AMPip) pendant arms and a detailed char-acterization of the corresponding Mn(II) complexes. The X?ray structure of [Mn(tO2DO2A)(H2O)]·2H2Oshows that the metal ion is coordinated by six donor atoms of the macrocyclic ligand and one watermolecule, to result in seven-coordination. The Cu(II) analogue presents a distorted octahedral coor-dination environment. The protonation constants of the ligands and the stability constants of thecomplexes formed with Mn(II) and other biologically relevant metal ions (Mg(II), Ca(II), Cu(II) andZn(II)) were determined using potentiometric titrations (I= 0.15 M NaCl, T = 25?C). The conditionalstabilities of Mn(II) complexes at pH 7.4 are comparable to those reported for the cyclen-basedtDO2A2?ligand. The dissociation of the Mn(II) chelates were investigated by evaluating the rateconstants of metal exchange reactions with Cu(II) under acidic conditions (I= 0.15 M NaCl, T = 25?C).Dissociation of the [Mn(tO2DO2A)(H2O)] complex occurs through both proton?and metal?assistedpathways, while the [Mn(tO2DO2AMPip)(H2O)] analogue dissociates through spontaneous andproton-assisted mechanisms. The Mn(II) complex oftO2DO2A2 is remarkably inert with respectto its dissociation, while the amide analogue is significantly more labile. The presence of a watermolecule coordinated to Mn(II) imparts relatively high relaxivities to the complexes. The parametersdetermining this key property were investigated using17O NMR (Nuclear Magnetic Resonance)transverse relaxation rates and1H nuclear magnetic relaxation dispersion (NMRD) profiles.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
manganese
magnetic resonance imaging
stability
dissociation kinetics
water exchange
contrast agents
macrocycles
Megjelenés:Molecules. - 26 : 6 (2021), p. 1-20. -
További szerzők:Nagy Viktória Uzal-Varela, Rocío Pérez-Lourido, Paulo Esteban-Gómez, David Garda Zoltán (1989-) (vegyész) Póta Kristóf Mezei Roland Pallier, Agnès Tóth Éva Platas-Iglesias, Carlos Tircsó Gyula (1977-) (vegyész, kémia tanár)
Pályázati támogatás:K-120224
OTKA
K-134694
OTKA
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DOI
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5.

001-es BibID:BIBFORM076230
035-os BibID:(WoS)000426495100007 (Scopus)85041620036
Első szerző:Le Fur, Mariane
Cím:A Coordination Chemistry Approach to Fine-Tune the Physicochemical Parameters of Lanthanide Complexes Relevant to Medical Applications / Mariane Le Fur, Enikő Molnár, Maryline Beyler, Ferenc K. Kálmán, Olivier Fougère, David Esteban-Gómez, Olivier Rousseaux, Raphaël Tripier, Gyula Tircsó, Carlos Platas-Iglesias
Dátum:2018
ISSN:0947-6539 1521-3765
Megjegyzések:The geometric features of two pyclen-based ligands possessing identical donor atoms but different site organization have a profound impact in their complexation properties toward lanthanide ions. The ligand containing two acetate groups and a picolinate arm arranged in a symmetrical fashion (L1) forms a Gd3+ complex being two orders of magnitude less stable than its dissymmetric analogue GdL2. Besides, GdL1 experiences a much faster dissociation following the acid-catalyzed mechanism than GdL2. On the contrary, GdL1 exhibits a lower exchange rate of the coordinated water molecule compared to GdL2. These very different properties are related to different strengths of the Gd-ligand bonds associated to steric effects, which hinder the coordination of a water molecule in GdL2 and the binding of acetate groups in GdL1.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Chemistry-A European Journal. - 24 : 13 (2018), p. 3127-3131. -
További szerzők:Molnár Enikő (1991-) (vegyész) Beyler, Maryline Kálmán Ferenc K. (1978-) (vegyész) Fougère, Olivier Esteban-Gómez, David Rousseaux, Olivier Tripier, Raphaël Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos
Pályázati támogatás:OTKA K-120224
OTKA
GINOP-2.3.2-15-2016-00008
GINOP
GINOP-2.3.3-15-2016-00004
GINOP
Bolyai János Kutatási Ösztöndíj
Egyéb
Internet cím:Szerző által megadott URL
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Intézményi repozitóriumban (DEA) tárolt változat
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6.

001-es BibID:BIBFORM076236
035-os BibID:(WoS)000426014800039 (Scopus)85042235833
Első szerző:Le Fur, Mariane
Cím:Stable and Inert Yttrium(III) Complexes with Pyclen-Based Ligands Bearing Pendant Picolinate Arms: Toward New Pharmaceuticals for β-Radiotherapy / Mariane Le Fur, Maryline Beyler, Enikő Molnár, Olivier Fougère, David Esteban-Gómez, Gyula Tircsó, Carlos Platas-Iglesias, Nicolas Lepareur, Olivier Rousseaux, Raphaël Tripier
Dátum:2018
ISSN:0020-1669 1520-510X
Megjegyzések:We report the synthesis of two azaligands based on the pyclen macrocyclic platform containing two picolinate and one acetate pendant arms. The two ligands differ in the relative positions of the pendant functions, which are arranged either in a symmetrical (L3) or nonsymmetrical (L4) fashion. The complexation properties of the ligands toward natY3+ and 90Y3+ were investigated to assess their potential as chelating units for radiopharmaceutical applications. The X-ray structures of the YL3 and YL4 complexes show nonadentate binding of the ligand to the metal ions. A multinuclear 1H, 13C, and 89Y NMR study shows that the complexes present a structure in solution similar to that observed in the solid state. The two complexes present very high thermodynamic stability constants (log KYL = 23.36(2) and 23.07(2) for YL3 and YL4, respectively). The complexes also show a remarkable inertness with respect to their proton-assisted dissociation, especially YL4. 90Y radiolabeling was proved to be efficient under mild conditions. The 90YL3 and 90YL4 radiochelates were found to be more stable than 90Y(DOTA).
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Yttrium(III)
Pyclen-Based Ligand
Picolinate
β-Radiotherapy
Megjelenés:Inorganic Chemistry. - 57 : 4 (2018), p. 2051-2063. -
További szerzők:Beyler, Maryline Molnár Enikő (1991-) (vegyész) Fougère, Olivier Esteban-Gómez, David Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos Lepareur, Nicolas Rousseaux, Olivier Tripier, Raphaël
Pályázati támogatás:K-120224 project
OTKA
ÚNKP-17-3
Egyéb
GINOP-2.3.2-15-2016-00008
GINOP
Internet cím:Szerző által megadott URL
DOI
Intézményi repozitóriumban (DEA) tárolt változat
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7.

001-es BibID:BIBFORM076235
035-os BibID:(WoS)000436023800023 (Scopus)85048704903
Első szerző:Le Fur, Mariane
Cím:Expanding the Family of Pyclen-Based Ligands Bearing Pendant Picolinate Arms for Lanthanide Complexation / Mariane Le Fur, Enikő Molnár, Maryline Beyler, Olivier Fougère, David Esteban-Gómez, Olivier Rousseaux, Raphaël Tripier, Gyula Tircsó, Carlos Platas-Iglesias
Dátum:2018
ISSN:0020-1669 1520-510X
Megjegyzések:We report a detailed characterization of lanthanide complexes with two azaligands based on the pyclen macrocycle containing two picolinate and one acetate pendant arms. The two picolinate arms are attached to either opposite (L3) or adjacent (L4) amine nitrogen atoms of the macrocyclic platform. The X-ray structures of the Yb3+ complexes show nine coordination of the ligand to the metal ion, a situation that is also observed for EuL4 in the solid state. The EuL3 complex forms centrosymmetric dimers in the solid state joined by ?2-?1:?1 carboxylate groups, which results in 10-coordinate Eu3+ ions. The emission spectra of EuL3 measured in H2O and D2O solution reveal the presence of a hydration equilibrium involving a nine-coordinate species lacking inner-sphere water molecules and a monohydrated 10-coordinate species. The Eu3+ complexes present modest emission quantum yields in buffered aqueous solution (? = 16 and 22% for EuL3 and EuL4, 0.1 M tris buffer, pH 7.4), while the corresponding Tb3+ complexes present very high emission quantum yields under the same conditions (?90%). 1H NMR studies show that the complexes of L3 present a fluxional behavior in D2O solution, while those of L4 are more rigid. The analysis of the Yb3+-induced NMR shifts of YbL4 indicates that the complex presents a structure in solution similar to that observed in the solid state. The Gd3+ complexes present very high thermodynamic stability constants (log KGdL = 23.56(2) and 23.44(2) for GdL3 and GdL4, respectively). The corresponding pGd values (pGd = ?log[Gd3+]free with cL = 1 ? 10?5 M and cGd = 1 ? 10?6 at pH 7.4) of 20.69 (GdL3) and 21.83 (GdL4) are higher than that of Gd(dota)? (pGd = 19.21). The Gd3+ complexes also show remarkable inertness with respect to their proton-assisted dissociation, with dissociation half-life times of 50 min (GdL3) and 20 h (GdL4) in 1 M HCl.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Pyclen-Based Ligands
Picolinate
Lanthanide
Megjelenés:Inorganic Chemistry. - 57 : 12 (2018), p. 6932-6945. -
További szerzők:Molnár Enikő (1991-) (vegyész) Beyler, Maryline Fougère, Olivier Esteban-Gómez, David Rousseaux, Olivier Tripier, Raphaël Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos
Pályázati támogatás:OTKA K-120224
OTKA
Bolyai János Kutatási Ösztöndíj
Egyéb
U?NKP-17-3
Egyéb
COST Action CA15209
Egyéb
GINOP-2.3.2-15-2016-00008
GINOP
GINOP-2.3.3-15-2016-00004
GINOP
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Borító:

8.

001-es BibID:BIBFORM073150
Első szerző:Le Fur, Mariane
Cím:The role of the capping bond effect on pyclen natY3+/90Y3+ chelates: full control of the regiospecific N-functionalization makes the difference / Mariane Le Fur, Maryline Beyler, Enikő Molnár, Olivier Fougère, David Esteban-Gómez, Gyula Tircsó, Carlos Platas-Iglesias, Nicolas Lepareur, Olivier Rousseaux, Raphaël Tripier
Dátum:2017
ISSN:1359-7345
Megjegyzések:Thanks to a smart regiospecific N-functionalisation, a pyclen based ligand bearing one picolinate and two acetate arms organized in a dissymmetric manner was synthesized for Y3+ complexation, and compared to its symmetric analogue. The nature of the capping bonds around the metal coordination environment has a dramatic effect on the properties of the chelate, the natY3+ and 90Y3+ dissymmetric derivatives presenting enhanced thermodynamic stability and kinetic inertness.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
Lantahnide(III) complexes
Macrocyclic liigands
Capping Bonf Effect
Regiospecific N-functionalization
Megjelenés:Chemical Communications. - 53 : 69 (2017), p. 9534-9537. -
További szerzők:Beyler, Maryline Molnár Enikő (1991-) (vegyész) Fougère, Olivier Esteban-Gómez, David Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos Lepareur, Nicolas Rousseaux, Olivier Tripier, Raphaël
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Intézményi repozitóriumban (DEA) tárolt változat
Borító:

9.

001-es BibID:BIBFORM108928
035-os BibID:(MTMT)33655653 (Scopus)85149397639 (WoS)000941160900001
Első szerző:Lucio-Martínez, Fátima
Cím:Rigid H4OCTAPA derivatives as model chelators for the development of Bi(III)-based radiopharmaceuticals / Fátima Lucio-Martínez, David Esteban-Gómez, Laura Valencia, Dávid Horváth, Dániel Szücs, Anikó Fekete, Dezső Szikra, Gyula Tircsó, Carlos Platas-Iglesias
Dátum:2023
ISSN:1359-7345 1364-548X
Megjegyzések:Octadentate ligands containing ethyl (H4OCTAPA), cyclohexyl (H4CHXOCTAPA) or cyclopentyl (H4CpOCTAPA) spacers were assessed as chelators for Bi(III)-based radiopharmaceuticals. The H4CHXOCTAPA chelator displays excellent properties, including 205/206Bi-nuclide radiolabelling under mild conditions, excellent stability in serum and in the presence of competing cations or H5DTPA. The poor performance of H4CpOCTAPA appears to be related to the stereochemical activity of the Bi(III) lone pair.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
radiopharmaceuticals
Bi(III) complexes
Particle-emitting isotopes
stability
structure
inertness
radilabelling
Megjelenés:Chemical Communications. - 59 : 23 (2023), p. 3443-3446. -
További szerzők:Esteban-Gómez, David Laura, Valencia Horváth Dávid (1991-) (vegyész) Szücs Dániel (1994-) (gyógyszerész) Fekete Anikó (1973-) (vegyész) Szikra Dezső Péter (1983-) (vegyész) Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos
Pályázati támogatás:K-120801
NKFIH
K-134694
NKFIH
2019-2.1.11-TÉT-2019-00084
Egyéb
Doctoral School of Chemistry
Egyéb
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Intézményi repozitóriumban (DEA) tárolt változat
Borító:

10.

001-es BibID:BIBFORM106968
035-os BibID:(Wos)000779822100036 (Scopus)85126557192
Első szerző:Lucio-Martínez, Fátima
Cím:Rigidified Derivative of the Non-macrocyclic Ligand H4OCTAPA for Stable Lanthanide(III) Complexation / RFátima Lucio-Martínez, Zoltán Garda, Balázs Váradi, Ferenc Krisztián Kálmán, David Esteban-Gómez, Éva Tóth, Gyula Tircsó, Carlos Platas-Iglesias
Dátum:2022
ISSN:0020-1669 1520-510X
Megjegyzések:he stability constants of lanthanide complexes with the potentially octadentate ligand CHXOCTAPA4?, which contains a rigid 1,2-diaminocyclohexane scaffold functionalized with two acetate and two picolinate pendant arms, reveal the formation of stable complexes [log KLaL = 17.82(1) and log KYbL = 19.65(1)]. Luminescence studies on the Eu3+ and Tb3+ analogues evidenced rather high emission quantum yields of 3.4 and 11%, respectively. The emission lifetimes recorded in H2O and D2O solutions indicate the presence of a water molecule coordinated to the metal ion. 1H nuclear magnetic relaxation dispersion profiles and 17O NMR chemical shift and relaxation measurements point to a rather low water exchange rate of the coordinated water molecule (kex298 = 1.58 ? 106 s?1) and relatively high relaxivities of 5.6 and 4.5 mM?1 s?1 at 20 MHz and 25 and 37 ?C, respectively. Density functional theory calculations and analysis of the paramagnetic shifts induced by Yb3+ indicate that the complexes adopt an unprecedented cis geometry with the two picolinate groups situated on the same side of the coordination sphere. Dissociation kinetics experiments were conducted by investigating the exchange reactions of LuL occurring with Cu2+. The results confirmed the beneficial effect of the rigid cyclohexyl group on the inertness of the Lu3+ complex. Complex dissociation occurs following proton- and metal-assisted pathways. The latter is relatively efficient at neutral pH, thanks to the formation of a heterodinuclear hydroxo complex.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Inorganic Chemistry. - 61 : 12 (2022), p. 5157-5171. -
További szerzők:Garda Zoltán (1989-) (vegyész) Váradi Balázs (1990-) (vegyész) Kálmán Ferenc K. (1978-) (vegyész) Esteban-Gómez, David Tóth Éva Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos
Pályázati támogatás:K-134694
OTKA
K-128201
OTKA
FK-134551
OTKA
Bilateral Hungarian-Spanish Science and Technology Cooperation Program (2019-2.1.11-TET-2019-00084 supported by NKFIH).
Egyéb
Gedeon Richter's Talentum Foundation
Egyéb
Cooperative Doctoral Program of the Ministry of Innovation and Technology financed from the National Research, Development and Innovation Fund (NKFIH)
Egyéb
ÚNKP-21-4 new national excellence program of the Ministry of Human Capacities
Egyéb
János Bolyai Research Scholarship of the Hungarian Academy of Sciences
MTA
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11.

001-es BibID:BIBFORM113922
035-os BibID:(WoS)001044538800001 (Scopus)85168325256
Első szerző:Marlin, Axia
Cím:H 3 nota Derivatives Possessing Picolyl and Picolinate Pendants for Ga 3+ Coordination and 67 Ga 3+ Radiolabeling / Axia Marlin, Angus Koller,Enikő Madarasi, Marie Cordier, David Esteban-Gómez, Carlos Platas-Iglesias, Gyula Tircsó, Eszter Boros, Véronique Patinec, Raphaël Tripier
Dátum:2023
ISSN:0020-1669 1520-510X
Megjegyzések:We synthesized, thanks to the regiospecific N-functionalization using an orthoamide intermediate, two tacn derivatives containing an acetate arm and either a methylpyridine or picolinic acid group, respectively Hnoapy and H2noapa, as new Ga3+ chelators for potential use in nuclear medicine. The corresponding Ga3+ complexes were synthesized and structurally characterized in solution by 1H and 13C NMR. The [Ga(noapy)]2+complex appears to exist in solution as two diasteroisomeric pairs of enantiomers, as confirmed by theorical DFT calculations, while for [Ga(noapa)]+ a single species is present in solution. Solid state investigations were possible for the [Ga(noapa)]+ complex, that crystallized from water as a pair of enantiomers. The average length of the N-Ga bonds of 2.090 ?A is identical to that found for the [Ga(nota)] complex, showing that the presence of the picolinate arm does not hinder the coordination of the ligand to the metal ion. Protonation constants of noapy- and noapa2 were determined by potentiometric titrations, providing an overall basicity ?log KiH (i = 1-4) that increases following the order noapy- < noapa2 < nota3 , as increases the negative charge of the ligand. Stability constants determined by pH-potentiometric titrations supplemented with 71Ga NMR data show that the stabilities of [Ga(noapy)]2+ and [Ga(noapa)]+ are lower when compared to [Ga(nota)], but higher than those of other standards as [Ga(aazta)]-. 67Ga radiolabeling studies were performed in order to demonstrate the potentiality of these chelators for 67/68Ga-based radiopharmaceuticals. The labeling of Hnoapy and H2noapa was nearly identical while outperforming H3nota. Stability studies were conducted in PBS and in presence of human serum transferrin, revealing no significant decomplexation of [67Ga][Ga(noapy)]2+, [67Ga][Ga(noapa)]+ compared to [67Ga][Ga(nota)]. Finally, all complexes were found to be highly hydrophilic, with calculated logD7.4 values of -3.42 ? 0.05, -3.34 ? 0.04, and -3.00 ? 0.23 for Hnoapy, H2noapa, and H3nota respectively, correlating with the charge of each complexes and the electrostatic potentials obtained with DFT.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Ga(III) complexes
tacn derivatives
synthesis
structure
stability
labeling studies
Megjelenés:Inorganic Chemistry. - 62 : 50 (2023), p. 20634-20645. -
További szerzők:Koller, Angus Madarasi Enikő Cordier, Marie Esteban-Gómez, David Platas-Iglesias, Carlos Tircsó Gyula (1977-) (vegyész, kémia tanár) Boros Eszter Patinec, Véronique Tripier, Raphaël
Pályázati támogatás:Ministere de l·Enseignement Superieur et de la Recherche and the Centre National de la Recherche Scientifique
Egyéb
Brittany Region
Egyéb
"Service Commun" of NMR of the University of Brest
Egyéb
FEDER funds from the EU (grant PID2019-104626GB-I00)
Egyéb
Xunta de Galicia (ED431B 2020/52)
Egyéb
Centro de Supercomputación de Galicia (CESGA)
Egyéb
NKFIH K-128201
OTKA
NKFIH K-134694
OTKA
Hungarian-Spanish science and technology cooperation program (2019-2.1.11-TÉT-2019-00084)
Egyéb
Doctoral School of Chemistry at the University of Debrecen, Hungary
Egyéb
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12.

001-es BibID:BIBFORM118635
035-os BibID:(WoS)001166508700001
Első szerző:Nizou, Gwladys
Cím:Exploring the Limits of Ligand Rigidification in Transition Metal Complexes with Mono-Functionalized Pyclen Derivatives / Gwladys Nizou, Zoltán Garda, Enikő Molnár, David Esteban-Gómez, Mariane Le Fur, Olivier Fougere, Olivier Rousseaux, Carlos Platas-Iglesias, Raphaël Tripier, Gyula Tircsó, Maryline Beyler
Dátum:2024
ISSN:0020-1669 1520-510X
Megjegyzések:We report the synthesis of the new family of side-bridged pyclen ligands. The incorporation of an ethylene bridge between two adjacent nitrogen atoms was reached from the pyclen-oxalate described previously in the scientific literature. Three new side-bridged pyclen macrocycles were obtained: Hsb-3-pc1a, sb-3-pc1py and Hsb-3-pc1pa, with the aim to assess their coordination properties toward Cu2+ and Zn2+ ions. We also prepared their non-reinforced analogues H3-pc1a, 3-pc1py and H3-pc1pa as comparative benchmarks. The two series of ligands were characterized and their coordination properties were investigated in detail. The Zn2+ and Cu2+ complexes with the non-side-bridge series H3-pc1a, 3-pc1py and H3-pc1pa were successfully isolated and their structures were assessed by X-ray diffraction studies. In the case of the side-bridged family, the synthesis of the com-plexes was far more difficult and, in some cases, unsuccessful. The results of our studies demonstrate that this difficulty is related to the extreme stiffening and basicity of such side-bridged pyclens.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Macrocyclic ligands
rigidification
transition metal complexes
N-functionalized pyclen derivatives
syntheis
stability
Megjelenés:Inorganic Chemistry. - 63 : 8 (2024), p. 3931-3947. -
További szerzők:Garda Zoltán (1989-) (vegyész) Molnár Enikő (1991-) (vegyész) Esteban-Gómez, David Le Fur, Mariane Fougère, Olivier Rousseaux, Olivier Platas-Iglesias, Carlos Tripier, Raphaël Tircsó Gyula (1977-) (vegyész, kémia tanár) Beyler, Maryline
Pályázati támogatás:PD-138064
NKFIH
K-128201
NKFIH
134694
NKFIH
2019-2.1.11-TET-2019-00084
Egyéb
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Intézményi repozitóriumban (DEA) tárolt változat
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