Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline

Alexander Carreño, Eduardo Solís-Céspedes, César Zúñiga, Jan Nevermann, María Macarena Rivera-Zaldívar, Manuel Gacitúa, Angélica Ramírez-Osorio, Dayán Páez-Hernández, Ramiro Arratia-Pérez, Juan A. Fuentes

Resultado de la investigación: Article

1 Cita (Scopus)

Resumen

fac-[Re(CO)3(5-amine-1,10-phenanthroline)Cl or Br] (D1 and D2) were synthesized and characterized. D2 was obtained by al alternative method. The electrochemical reaction mechanisms of both D1 and D2 corresponded to EEC for reduction, and ECE for oxidation. Moreover, geometry, electronic, and luminescent properties were analyzed by relativistic DFT and TD-DFT calculations. We determined the lability of –Cl and –Br by a Morokuma–Ziegler analysis. We found that these compounds were less toxic than the ligand alone, and it depends on the cell model tested, where bacteria seem to be more susceptible than yeasts.

Idioma originalEnglish
Páginas (desde-hasta)231-238
Número de páginas8
PublicaciónChemical Physics Letters
Volumen715
DOI
EstadoPublished - 1 ene 2019

Huella dactilar

Rhenium
yeast
rhenium
Cytotoxicity
Discrete Fourier transforms
bacteria
Cyclic voltammetry
Amines
amines
ligands
oxidation
Poisons
Carbon Monoxide
geometry
cells
electronics
Yeast
Bacteria
Ligands
Oxidation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

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title = "Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline",
abstract = "fac-[Re(CO)3(5-amine-1,10-phenanthroline)Cl or Br] (D1 and D2) were synthesized and characterized. D2 was obtained by al alternative method. The electrochemical reaction mechanisms of both D1 and D2 corresponded to EEC for reduction, and ECE for oxidation. Moreover, geometry, electronic, and luminescent properties were analyzed by relativistic DFT and TD-DFT calculations. We determined the lability of –Cl and –Br by a Morokuma–Ziegler analysis. We found that these compounds were less toxic than the ligand alone, and it depends on the cell model tested, where bacteria seem to be more susceptible than yeasts.",
keywords = "5-Amine-1,10-phenanthroline, Bacteria, fac-rhenium tricarbonyl, Spin-Orbit DFT, cytotoxicity, Yeasts",
author = "Alexander Carre{\~n}o and Eduardo Sol{\'i}s-C{\'e}spedes and C{\'e}sar Z{\'u}{\~n}iga and Jan Nevermann and Rivera-Zald{\'i}var, {Mar{\'i}a Macarena} and Manuel Gacit{\'u}a and Ang{\'e}lica Ram{\'i}rez-Osorio and Day{\'a}n P{\'a}ez-Hern{\'a}ndez and Ramiro Arratia-P{\'e}rez and Fuentes, {Juan A.}",
year = "2019",
month = "1",
day = "1",
doi = "10.1016/j.cplett.2018.11.043",
language = "English",
volume = "715",
pages = "231--238",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",

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Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline. / Carreño, Alexander; Solís-Céspedes, Eduardo; Zúñiga, César; Nevermann, Jan; Rivera-Zaldívar, María Macarena; Gacitúa, Manuel; Ramírez-Osorio, Angélica; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Fuentes, Juan A.

En: Chemical Physics Letters, Vol. 715, 01.01.2019, p. 231-238.

Resultado de la investigación: Article

TY - JOUR

T1 - Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline

AU - Carreño, Alexander

AU - Solís-Céspedes, Eduardo

AU - Zúñiga, César

AU - Nevermann, Jan

AU - Rivera-Zaldívar, María Macarena

AU - Gacitúa, Manuel

AU - Ramírez-Osorio, Angélica

AU - Páez-Hernández, Dayán

AU - Arratia-Pérez, Ramiro

AU - Fuentes, Juan A.

PY - 2019/1/1

Y1 - 2019/1/1

N2 - fac-[Re(CO)3(5-amine-1,10-phenanthroline)Cl or Br] (D1 and D2) were synthesized and characterized. D2 was obtained by al alternative method. The electrochemical reaction mechanisms of both D1 and D2 corresponded to EEC for reduction, and ECE for oxidation. Moreover, geometry, electronic, and luminescent properties were analyzed by relativistic DFT and TD-DFT calculations. We determined the lability of –Cl and –Br by a Morokuma–Ziegler analysis. We found that these compounds were less toxic than the ligand alone, and it depends on the cell model tested, where bacteria seem to be more susceptible than yeasts.

AB - fac-[Re(CO)3(5-amine-1,10-phenanthroline)Cl or Br] (D1 and D2) were synthesized and characterized. D2 was obtained by al alternative method. The electrochemical reaction mechanisms of both D1 and D2 corresponded to EEC for reduction, and ECE for oxidation. Moreover, geometry, electronic, and luminescent properties were analyzed by relativistic DFT and TD-DFT calculations. We determined the lability of –Cl and –Br by a Morokuma–Ziegler analysis. We found that these compounds were less toxic than the ligand alone, and it depends on the cell model tested, where bacteria seem to be more susceptible than yeasts.

KW - 5-Amine-1,10-phenanthroline

KW - Bacteria

KW - fac-rhenium tricarbonyl

KW - Spin-Orbit DFT, cytotoxicity

KW - Yeasts

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U2 - 10.1016/j.cplett.2018.11.043

DO - 10.1016/j.cplett.2018.11.043

M3 - Article

VL - 715

SP - 231

EP - 238

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -