Specific Features of Binding Bioactive Organic Molecules with the Metallic Matrix of Heteronuclear 3d-4f Structures Containing Soft and Hard Metallocenters Using the Nd(III)–Cu(II) Complex as an Example

M. A. Katkova; Каткова М. А.; G. Yu. Zhigulin; Жигулин Г. Ю.; E. V. Baranov; Баранов Е. В.; G. S. Zabrodina; Забродина Г. С.; M. S. Muravyeva; Муравьева М. С.; S. Yu. Ketkov; Кетков С. Ю.; I. G. Fomina; Фомина И. Г.; I. L. Eremenko; Еременко И. Л.

doi:10.31857/S0132344X23600157

Specific Features of Binding Bioactive Organic Molecules with the Metallic Matrix of Heteronuclear 3d-4f Structures Containing Soft and Hard Metallocenters Using the Nd(III)–Cu(II) Complex as an Example

Autores: Katkova M.A.¹, Zhigulin G.Y.¹, Baranov E.V.¹, Zabrodina G.S.¹, Muravyeva M.S.¹^,2, Ketkov S.Y.¹, Fomina I.G.³, Eremenko I.L.³
Afiliações:
1. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia
2. Privolzhsky Research Medical University, Nizhny Novgorod, Russia
3. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia
Edição: Volume 49, Nº 9 (2023)
Páginas: 590-600
Seção: Articles
URL: https://journals.rcsi.science/0132-344X/article/view/137317
DOI: https://doi.org/10.31857/S0132344X23600157
EDN: https://elibrary.ru/WBQJTM
ID: 137317

Citar

Texto integral

Acesso aberto
Acesso é fechado

Acesso está concedido
Acesso é fechado

Somente assinantes

Resumo
Sobre autores
Bibliografia
Arquivos suplementares
Estatísticas

Resumo

The polynuclear alanine hydroximate metallamacrocyclic complex Nd(C8H7NO4)(H2O)[15-
MCCu(II)Alaha-5](CH3COO) with the axial 3-hydroxy-4-pyridinone ligand is synthesized for the first time
from the (3-hydroxy-2-methyl-4-oxo-4H-pyridin-1-yl) acetate ligand. The X-ray diffraction (XRD) (CIF
file CCDC no. 2242224) and quantum chemical methods show that the interaction of ligand L with the Nd3+
ion retained due to ionic bonds with the oxygen atoms in the copper-containing metallamacrocyclic matrix
results in the formation of axial bonds (having a covalent contribution) between Nd3+ and the dioxolene fragment
of the pyridinone ligand. In topological and energy characteristics, these axial bond approach the bonds
of Cu2+ with the amine nitrogen atoms of the alanine hydroximate metallamacrocycle.

Palavras-chave

polynuclear metallamacrocyclic complexes, neodymium(III), copper(II), 3-hydroxy-4-pyridinone, molecular structure, XRD, DFT calculations

Bibliografia

Advances in Metallacrown Chemistry / Ed. Za-leski C.M. Cham: Springer, 2022. 381 p.
Каткова М.А. // Коорд. химия. 2018. Т. 44. С. 135 (Katkova M.A. // Russ. J. Coord. Chem. 2018. V. 44. P. 284). https://doi.org/10.1134/S107032841804005X
Ostrowska M., Fritsky I.O., Gumienna-Kontecka E. et al. // Coord. Chem. Rev. 2016. V. 327–328. P. 304.
Tegoni M., Remelli, M. // Coord. Chem. Rev. 2012. V. 256. P. 289.
Mezei G., Zaleski C.M., Pecoraro V.L. // Chem. Rev. 2007. V. 107. P. 4933.
Katkova M.A., Zabrodina G.S., Muravyeva M.S. et al. // Eur. J. Inorg. Chem. 2015. V. 2015. P. 5202.
Katkova M.A., Zabrodina G.S., Baranov E.V. et al. // Appl. Organomet. Chem. 2018. V. 32. P. e4389.
Muravyeva M.S., Zabrodina G.S., Samsonov M.A. et al. // Polyhedron. 2016. V. 114. P. 165.
Katkova M.A., Zabrodina G.S., Rumyantcev R.V. et al. // Eur. J. Inorg. Chem. 2019. V. 2019. P. 4328.
Kremlev K.V., Samsonov M.A., Zabrodina G.S. et al. // Polyhedron. 2016. V. 114. P. 96.
Cutland A.D., Halfen J.A., Kampf J.W. et al. // J. Am. Chem. Soc. 2001. V. 123. P. 6211.
Lim C.S., Kampf J.W., Pecoraro V.L. // Inorg. Chem. 2009. V. 48. P. 5224.
Tegoni M., Tropiano M., Marchio L. et al. // Dalton Trans. 2009. P. 6705.
Jankolovits J., Lim C.S., Mezei G. et al. // Inorg. Chem. 2012. V. 51. P. 4527.
Jankolovits J., Van-Noord A.D.C., Kampf J.W. et al. // Dalton Trans. 2013. V. 42. P. 9803.
Pavlishchuk A.V., Kolotilov S.V., Zeller M. et al. // Inorg. Chem. 2014. V. 53. P. 1320.
Katkova M.A., Zabrodina G.S., Muravyeva M.S. et al. // Inorg. Chem. Commun. 2015. V. 52. P. 31.
Pavlishchuk A.V., Kolotilov S.V., Zeller M. et al. // Eur. J. Inorg. Chem. 2018. V. 2018. P. 3504.
Lim C.S., Jankolovits J., Zhao P. et al. // Inorg. Chem. 2011. V. 50. P. 4832.
Katkova M.A., Baranov E.V., Zabrodina G.S. et al. // Macroheterocycles. 2021. V. 14. P. 101.
Rangel M., Moniz T., Silva A. et al. // Pharmaceuticals. 2018. V. 11. P. 110.
Santos M.A., Marques S.M., Chaves S. // Coord. Chem. Rev. 2012. V. 256. P. 240.
Mawani Y., Cawthray J.F., Chang S. // Dalton Trans. 2013. V. 42. P. 5999.
Lin S., Liu C., Zhao X. et al. // Front. Chem. 2022. V. 10. P. 869860.
Zhang Z., Rettig S.J., Orvig C. // Can. J. Chem. 1992. V. 70. P. 763.
Data Collection, Reduction and Correction Program. CrysAlisPro 1.171.41.93a – Software Package. Rigaku OD, 2020.
SCALE3 ABSPACK: Empirical Absorption Correction. CrysAlisPro 1.171. 41.93a – Software Package, Rigaku OD, 2020.
Sheldrick G.M. // Acta Crystallogr. A. 2015. V. 71. P. 3.
Sheldrick G.M. SHELXTL. Version 6.14. Structure Determination Software Suite. Madison (WI, USA): Bruker AXS, 2003.
Sheldrick G.M. // Acta Crystallogr. C. 2015. V. 71. P. 3.
Dolomanov O.V., Bourhis L.J., Gildea R.J. et al. // J. Ap-pl. Cryst. 2009. V. 42. P. 339.
Laikov D.N. // Chem. Phys. Lett. 1997. V. 281. P. 151.
Laikov D.N., Ustynyuk Y.A. // Russ. Chem. Bull. 2005. V. 54. P. 820.
Zabrodina G.S., Katkova M.A., Rumyantcev R.V. et al. // Macroheterocycles. 2022. V. 15. P. 109.
Svitova A.L., Popov A.A., Dunsch. L. // Inorg. Chem. 2013. V. 52. P. 3368.
Katkova M.A., Zhigulin G.Y., Rumyantcev R.V. et al. // Molecules. 2020. V. 25. P. 4379.
Perdew J.P., Burke K., Ernzerhof M. // Phys. Rev. Lett. 1996. V. 77. P. 3865.
Laikov D.N. // Theor. Chem. Acc. 2019. V. 138. P. 40.
Zhigulin G.Yu., Zabrodina G.S., Katkova M.A. et al. // Russ. Chem. Bull. 2018. V. 67. P. 1173.
Katkova M.A., Zabrodina G.S., Zhigulin G.Yu. et al. // Russ. J. Coord. Chem. 2019. V. 45. P. 721.
Bader R.F.W. Atoms in Molecules: A Quantum Theory. Oxford: Oxford Univ. Press, 1990. 456 p.
Abramov Y.A. // Acta Crystallogr. A. 1997. V. 53. P. 264.
Espinosa E., Molins E., Lecomte C. // Chem. Phys. Lett. 1998. V. 285. P. 170.
Becke A.D., Edgecombe K.E. // J. Chem. Phys. 1990. V. 92. P. 5397.
Savin A., Silvi B., Colonna F. // Can. J. Chem. 1996. V. 74. P. 1088.
Johnson E.R., Keinan S., Mori-Sánchez P. et al. // J. Am. Chem. Soc. 2010. V. 132. P. 6498.
Allouche A.R. // J. Comput. Chem. 2011. V. 32. P. 174.
Weekes D.M., Cawthray J.F., Rieder M. et al. // Metallomics. 2017. V. 9. P. 902.
Orvig C., Rettig S.J., Zhang Z. // Acta Crystallogr. C. 1994. V. 50. P. 1514.
Molenda J.J., Jones M.M., Johnston D.S. et al. // J. Med. Chem. 1994. V. 37. P. 4363.
Espinosa E., Alkorta I., Elguero J. et al. // J. Chem. Phys. 2002. V. 117. P. 5529.
Gibbs G.V, Cox D.F., Crawford T.D. et al. // J. Chem. Phys. 2006. V. 124. P. 084704.
Zhigulin G.Yu., Zabrodina G.S., Katkova M.A. et al. // Russ. Chem. Bull. 2019. V. 68. P. 743.
Zhigulin G.Yu., Zabrodina G.S., Katkova M.A. et al. // Russ. J. Coord. Chem. 2019. V. 45. P. 356. https://doi.org/10.1134/S107032841905004X
Greenwood N.N., Earnshaw A., Chemistry of the Elements, Oxford: Butterworth–Heinemann, 1997. 1364 p.