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1.

001-es BibID:BIBFORM094064
035-os BibID:(WoS)000647262800021 (Scopus)85105540395
Első szerző:Abad Galán, Laura
Cím:Design of polyazamacrocyclic Gd3+ theranostic agents combining magnetic resonance imaging and two-photon photodynamic therapy / Laura Abad Galán, Nadège Hamon, Christophe Nguyen, Enikő Molnár, János Kiss, Jonathan Mendy, Kamel Hadj-Kaddour, Mélanie Onofre, György Trencsényi, Cyrille Monnereau, Maryline Beyler, Gyula Tircsó, Magali Gary-Bobo, Olivier Maury, Raphaël Tripier
Dátum:2021
ISSN:2052-1553
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Inorganic Chemistry Frontiers. - 8 : 9 (2021), p. 2213-2224. -
További szerzők:Hamon, Nadège Nguyen, Christophe Molnár Enikő (1991-) (vegyész) Kiss János (1992-) (fizikus) Mendy, Jonathan Hadj-Kaddour, Kamel Onofre, Mélanie Trencsényi György (1978-) (biológus, biokémikus, molekuláris biológus) Monnereau, Cyrille Beyler, Maryline Tircsó Gyula (1977-) (vegyész, kémia tanár) Gary-Bobo, Magali Maury, Olivier Tripier, Raphaël
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2.

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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3.

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
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4.

001-es BibID:BIBFORM103610
035-os BibID:(cikkazonosító)110978 (WOS)000522119300002 (Scopus)85077754827
Első szerző:Guillou, Amaury
Cím:Picolinate-appended tacn complexes for bimodal imaging: Radiolabeling, relaxivity, photophysical and electrochemical studies / Amaury Guillou, Margau Galland, Amandine Roux, Balázs Váradi, Réka Anna Gogolák, Patricia Le Saëc, Alain Faivre-Chauvet, Maryline Beyler, Christophe Bucher, Gyula Tircsó, Véronique Patinec, Olivier Maury, Raphaël Tripier
Dátum:2020
ISSN:0162-0134 1873-3344
Megjegyzések:Based on our previous works involving two 1,4,7-triazacyclononane (tacn)-based ligands Hno2py1pa (1-Picolinic acid-4,7-bis(pyridin-2-ylmethyl)-1,4,7-triazacyclononane) and Hno1pa (1-Picolinic acid-1,4,7-triazacyclononane), we report here the synthesis of analogues bearing picolinate-based rz-conjugated ILCT (IntraLigand Charge Transfer) transition antenna (HL1, HL2), using regiospecific N-functionalization of the tacn skeleton and their related transition metal complexes (e.g. Cu2+, Zn2+ and Mn2+). Coordination properties as well as their photophysical and electrochemical properties were investigated in order to quantify the impact of such antenna on the luminescent or relaxometric properties of the complexes. The spectroscopic properties of the targeted ligands and metal complexes have been studied using UV-Vis absorption and fluorescence spectrocopies. While the zinc complex formed with HL1 possesses a moderate quantum yield of 5%, complexation of Cu2+ led to an extinction of the luminescence putatively attributed to a photo-induced electron transfer, as supported by spectroscopic and electrochemical evidences. The [Mn(L2)](+) complex is characterized by a fluorescence quantum yield close to 8% in CH2Cl2. The potential interest of such systems as bimodal probes has been assessed from radiolabeling experiments conducted on HL1 and( 64)Cu(2+) as well as confocal microscopy analyses and from relaxometric studies carried out on the cationic [Mn(L2)](+) complex. These results showed that HL1 can be used for radiolabeling, with a radiochemical conversion of 40% in 15 min at 100 degrees C. Finally, the relaxivity values obtained for [Mn(L2)](+), r(1p) = 4.80 mM(-1).s(-1) and r(2p) = 8.72 mM(-1).s(-1), make the Mn(II) complex an ideal candidate as a probe for Magnetic Resonance Imaging.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Megjelenés:Journal of Inorganic Biochemistry. - 205 (2020), p. 1-9. -
További szerzők:Galland, Margaux Roux, Amandine Váradi Balázs (1990-) (vegyész) Gogolák Réka Anna (kémia tanár) Le Saëc, Patricia Faivre-Chauvet, Alain Beyler, Maryline Bucher, Christophe Tircsó Gyula (1977-) (vegyész, kémia tanár) Patinec, Véronique Maury, Olivier Tripier, Raphaël
Pályázati támogatás:NKFIH-K-120224
Egyéb
GINOP-2.3.2-15-2016-00008
GINOP
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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
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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
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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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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: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
Internet cím:Szerző által megadott URL
DOI
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Borító:

10.

001-es BibID:BIBFORM057618
Első szerző:Molnár Enikő (vegyész)
Cím:Picolinate-Containing Macrocyclic Mn(II) Complexes as Potential MRI Contrast Agents / Enikő Molnar, Nathalie Camus, Veronique Patinec, Gabriele A. Rolla, Mauro Botta, Gyula Tircso, Ferenc K. Kalmán, Tamas Fodor, Raphael Tripier, Carlos Platas-Iglesias
Dátum:2014
ISSN:0020-1669
Megjegyzések:We report the synthesis of the ligand Hnompa (6-((1,4,7-triazacyclononan- 1-yl)methyl)picolinic acid) and a detailed characterization of the Mn2+ complexes formed by this ligand and the related ligands Hdompa (6-((1,4,7,10-tetraazacyclododecan-1- yl)methyl)picolinic acid) and Htempa (6-((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)- picolinic acid). These ligands form thermodynamically stable complexes in aqueous solution with stability constants of logKMnL = 10.28(1) (nompa), 14.48(1) (dompa), and 12.53(1) (tempa). A detailed study of the dissociation kinetics of these Mn2+ complexes indicates that the decomplexation reaction at about neutral pH occurs mainly following a spontaneous dissociation mechanism. The X-ray structure of [Mn2(nompa)2(H2O)2]- (ClO4)2 shows that the Mn2+ ion is seven-coordinate in the solid state, being directly bound to five donor atoms of the ligand, the oxygen atom of a coordinated water molecule and an oxygen atom of a neighboring nompa- ligand acting as a bridging bidentate carboxylate group (1 -carboxylate). Nuclear magnetic relaxation dispersion (1 H NMRD) profiles and 17O NMR chemical shifts and transverse relaxation rates of aqueous solutions of [Mn(nompa)]+ indicate that the Mn2+ ion is six-coordinate in solution by the pentadentate ligand and one innersphere water molecule. The analysis of the 1 H NMRD and 17O NMR data provides a very high water exchange rate of the innersphere water molecule (kex 298 = 2.8 x 109 s -1 ) and an unusually high value of the 17O hyperfine coupling constant of the coordinated water molecule (AO/ = 73.3 ± 0.6 rad s-1 ). DFT calculations performed on the [Mn(nompa)(H2O)]+ ·2H2O system (TPSSh model) provide a AO/ value in excellent agreement with the one obtained experimentally
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
MRI contrast agents
Mn(II) complexes
equilibrium
Kinetics
Structure
Megjelenés:Inorganic Chemistry. - 53 : 10 (2014), p. 5136-5149. -
További szerzők:Camus, Nathalie Patinec, Véronique Rolla, Gabriele A. Botta, Mauro Tircsó Gyula (1977-) (vegyész, kémia tanár) Kálmán Ferenc K. (1978-) (vegyész) Fodor Tamás (1987-) (vegyész) Tripier, Raphaël Platas-Iglesias, Carlos
Pályázati támogatás:Centro de Supercomputacion de Galicia (CESGA)
Egyéb
K-84291
OTKA
K-109029
OTKA
TÁMOP-4.2.2.A-11/ 1/KONV-2012-0043
TÁMOP
János Bolyai Research Scholarship of the Hungarian Academy of Sciences.
Egyéb
COST TD1004 "Theragnostics Imaging and Therapy: An Action to Develop Novel Nanosized Systems for Imaging-Guided Drug Delivery" Action.
Egyéb
Internet cím:Szerző által megadott URL
DOI
Intézményi repozitóriumban (DEA) tárolt változat
Borító:

11.

001-es BibID:BIBFORM118635
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
Internet cím:Szerző által megadott URL
DOI
Intézményi repozitóriumban (DEA) tárolt változat
Borító:

12.

001-es BibID:BIBFORM107395
035-os BibID:(WoS)000620345400031 (Scopus)85100266428
Első szerző:Nizou, Gwladys
Cím:Pyclen-Based Ligands Bearing Pendant Picolinate Arms for Gadolinium Complexation / Gwladys Nizou, Enikő Molnar, Nadège Hamon, Ferenc Krisztián Kálmán, Olivier Fougère, Olivier Rousseaux, David Esteban-Gòmez, Carlos Platas-Iglesias, Maryline Beyler, Gyula Tircsó, Raphael Tripier
Dátum:2021
ISSN:0020-1669 1520-510X
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
Ions
Ligands
Macrocycles
Molecules
Solution chemistry
Megjelenés:Inorganic Chemistry. - 60 : 4 (2021), p. 2390-2405. -
További szerzők:Molnár Enikő (1991-) (vegyész) Hamon, Nadège Kálmán Ferenc K. (1978-) (vegyész) Fougère, Olivier Rousseaux, Olivier Esteban-Gómez, David Platas-Iglesias, Carlos Beyler, Maryline Tircsó Gyula (1977-) (vegyész, kémia tanár) Tripier, Raphaël
Pályázati támogatás:GINOP-2.3.2-15-2016-00008
GINOP
K-120224
OTKA
K-128201
OTKA
FK-134551
OTKA
2019-2.1.11-TE? T-2019-00084
Egyéb
COST Action CA15209 European Network on NMR Relaxometry
Egyéb
Internet cím:Szerző által megadott URL
DOI
Intézményi repozitóriumban (DEA) tárolt változat
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