Crystal structure, raman and 57Fe mo¨ssbauer spectra of the FeII complex of iso-orotic acid

Baran, Enrique J.; Mercader, R. C.; ̃a, Francisco Hueso-Uren; Moreno‐Carretero, Miguel N.; Quirós-Olozábal, Miguel; Salas-Peregrín, J.M.

doi:10.1016/0277-5387(95)00402-5

Cited by 33 publications

(34 citation statements)

References 9 publications

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“…In fact, a single-step water loss occurring between 60 and 110°C (Table 1) is observed in the thermograms of the above-mentioned compounds; these temperatures are lower than those reported in the case of loss of metalcoordinated water molecules. [23][24][25][26][27] IR and Mössbauer spectra were obtained as previously reported. 28 The 1 H and 13 C NMR spectra were recorded with a Bruker AC250E spectrometer, operating at 5.87 T.…”

Section: Methodsmentioning

confidence: 99%

Organometallic complexes with biological molecules. X: dialkyltin(IV) and trialkyltin(IV) orotates: spectroscopic andin vivo investigations

Lencioni

Pellerito

Fiore

et al. 1999

Appl. Organometal. Chem.

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Several novel diorgano‐ and triorgano‐tin(IV) derivatives of orotic acid, (2,6‐dihydroxypyrimidine‐4‐carboxylic acid; H3or) have been synthesized. In the diorganotin(IV) derivatives, the orotic acid behaved either as a monoanionic or as a dianionic ligand, yielding R2Sn(H2or)2 and R2SnHor (R = Me, Bu) species, respectively, while in the triorganotin(IV) orotates only monodeprotonation of the orotic acid occurred, giving R3SnH2or (R = Me, Bu) derivatives. Structural hypotheses are proposed and discussed for the solid state based on Mössbauer and IR spectroscopic data, and for solution on 1H and 13C NMR results. Finally, investigations have been carried out in vivo, showing the inhibitor properties of all of the newly synthesized derivatives towards Ciona intestinalis embryos. In particular, in order to test the cytotoxicity in vivo of Me2SnHor, Bu2SnHor, Me3SnH2or and Bu3SnH2or, exposure to these chemicals of C. intestinalis embryos at the 2–4‐blastomere stage has been studied. The compound which exerts the highest cytotoxic effect is Bu3SnH2or at 10−5 M concentration because it blocks embryo development immediately. Me3SnH2or at 10−5 M concentration inhibits cell cleavage in the embryos at the 32‐blastomere stage, while Bu2SnHor at the same concentration gives rise to abnormal embryos. Me2SnHor, is less toxic than the trimethyl, dibutyl and tributyl analogues, since 40% of the total number of treated embryos resulted in normal larvae. The ligand does not affect embryonic development significantly. The results seem to indicate that the chemical species under investigation, especially Bu3SnH2or, interfere with polymerization of tubulin during the process of cell division in early embryo development. Copyright © 1999 John Wiley & Sons, Ltd.

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Section: Methodsmentioning

confidence: 99%

Organometallic complexes with biological molecules. X: dialkyltin(IV) and trialkyltin(IV) orotates: spectroscopic andin vivo investigations

Lencioni

Pellerito

Fiore

et al. 1999

Appl. Organometal. Chem.

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“…Previous published X-ray diffraction data [44][45][46]50] about orotic acid helped us to get better inside. The optimized molecular structure of HAOA is very similar to the structure of orotic acid obtained by X-ray diffraction (Table 1) [44,45].…”

Section: Geometry Optimizationmentioning

confidence: 97%

Theoretical and spectroscopic studies of lanthanum (III) complex of 5-aminoorotic acid

2006

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“…56,68 In the Raman spectra, these vibrations can be observed as a shoulder at 1678 cm 1 for the ligand, as a medium band at 1672 cm 1 for its Ce(III) complex and as a medium peak at 1669 cm 1 for its Nd(III) complex (Table 3, Figs 4 and 5). In the IR spectrum of H 4 L, the strong band at 1604 cm 1 was attributed to the C5-C6 stretching contributions and NH 2 scissoring, 50,68,69 whereas in the IR spectra of the complexes this is absent. In the Raman spectra, these vibrational modes are distinguished as very strong bands at 1612 cm 1 for H 4 L and at 1623 cm 1 for its Ce(III) and Nd(III) complexes (Fig.…”

Section: Vibrational Spectroscopymentioning

confidence: 99%

“…68,75 The strong band at 1667 cm 1 (IR spectrum of H 4 L) and the two very strong bands for each complex, at 1673 and 1637 cm 1 (IR spectrum of the Ce(III) complex) and at 1672 and 1643 cm 1 (IR spectrum of the Nd(III) complex) were assigned to the symmetrical C4 O4 stretching modes 50 and to the asymmetrical COO stretching modes. 56,68 In the Raman spectra, these vibrations can be observed as a shoulder at 1678 cm 1 for the ligand, as a medium band at 1672 cm 1 for its Ce(III) complex and as a medium peak at 1669 cm 1 for its Nd(III) complex (Table 3, Figs 4 and 5).…”

Section: Vibrational Spectroscopymentioning

confidence: 99%

“…The newly appeared bands in the IR spectra of the complexes, at 620 cm 1 (Ce(III) complex) and at 619 cm 1 (Nd(III) complex), as well as the new shoulders at 548 cm 1 (Ce(III) complex) and 551 cm 1 (Nd(III) complex), which cannot be observed in the Raman spectra, can be due to metal-oxygen interactions. 48,50,66 In the low wavenumber region of the Raman spectra of the lanthanide complexes of H 4 L (Fig. 5), bands that can be due to the metal-oxygen vibrations 78 -82 are the band at 425 cm 1 (Ce(III) complex) and the peak at 427 cm 1 (Nd(III) complex), which are increased in relative intensities in comparison to the Raman spectrum of the ligand.…”

Section: Vibrational Spectroscopymentioning

confidence: 99%

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Theoretical and spectroscopic studies of 5‐aminoorotic acid and its new lanthanide(III) complexes

Kostova

Peica

Kiefer

2006

J Raman Spectroscopy

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The complexes of cerium(III) and neodymium(III) were synthesized by reaction of the respective inorganic salts with 5-aminoorotic acid (H 4 L) in amounts equal to the metal : ligand molar ratio of 1 : 3. The structures of the final complexes were determined by means of spectral (IR, Raman, 1 H NMR and 13 C NMR) and elemental analysis. Significant differences in the IR spectra of the complexes were observed as compared to the spectrum of the ligand. A comparative analysis of the Raman spectra of the complexes with that of the free H 4 L allowed a straightforward assignment of the vibrations of the ligand groups involved in coordination. The geometry of H 4 L was computed and optimized for the first time with the Gaussian03 program using the B3PW91/6-311++G * * , B3PW91/LANL2DZ, B3LYP/6-311++G * * and B3LYP/LANL2DZ methods. The experimental IR and Raman bands of the ligand were assigned to normal modes on the basis of DFT calculations. The vibrational analysis performed for the studied species, H 4 L and its complexes, helped to explain the vibrational behavior of the ligand vibrational modes sensitive to interaction with the lanthanides. The vibrational study gave evidence for the coordination mode of the ligand to lanthanide ions and was in agreement with the other theoretical prediction.

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Crystal structure, raman and 57Fe mo¨ssbauer spectra of the FeII complex of iso-orotic acid

Cited by 33 publications

References 9 publications

Organometallic complexes with biological molecules. X: dialkyltin(IV) and trialkyltin(IV) orotates: spectroscopic andin vivo investigations

Organometallic complexes with biological molecules. X: dialkyltin(IV) and trialkyltin(IV) orotates: spectroscopic andin vivo investigations

Theoretical and spectroscopic studies of lanthanum (III) complex of 5-aminoorotic acid

Theoretical and spectroscopic studies of 5‐aminoorotic acid and its new lanthanide(III) complexes

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