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Complex Formation Equilibria and Molecular Structure of Divalent Metal Ions–Vitamin B3–Glycine Oligopeptides Systems

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Abstract

Complex formation of divalent transition metal ions (copper(II), cobalt(II) and nickel(II)), vitamin B3 (nicotinic acid) and glycine oligopeptides (glycine, glycylglycine, glycyl-l-phenylalanine, and glycylglycylglycine) were studied at 298 K in aqueous solutions using the pH-potentiometric technique. The copper Cu(II), cobalt Co(II), and nickel Ni(II) complexing capacity of vitamin B3 in the absence and in the presence of glycine peptides and their overall stability constants in aqueous solutions were obtained and explained by the HYPERQUAD 2008 program using the potentiometric data. From the protonation and complex formation constants, representative complex species distribution diagrams were obtained using HYSS 2009 software. The UV–Vis spectroscopic, cyclic voltammeteric and conductometric titration measurements were carried out to give qualitative information about the conformation of the complexes formed in these solutions and their stoichiometric ratios. The Gibbs energies and the molecular structures of the complexes were evaluated and predicted using Gaussian 09 software molecular modeling and density functional theory calculations.

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Acknowledgments

This work was supported by King Abdulaziz City for Science and Technology (KACST) through the Project P–S-12-0017.

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Authors and Affiliations

  1. Chemistry Department, Faculty of Science, King Khalid University, Abha, 9004, Kingdom of Saudi Arabia

    Aisha Y. Rajhi & Ahmed E. Fazary

  2. Department of Chemical Engineering, National Taiwan University of Science and Technology, 43 Keelung Road, Section 4, Taipei, 106-07, Taiwan

    Yi-Hsu Ju & Artik E. Angkawijaya

  3. Applied Research Sector, Egyptian Organization for Biological Products and Vaccines (VACSERA Holding Company), 51 Wezaret El-Zeraa St., Agouza, Giza, Egypt

    Ahmed E. Fazary

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  1. Aisha Y. Rajhi
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  2. Yi-Hsu Ju
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Correspondence to Ahmed E. Fazary.

Appendices

Appendix 1

See Fig. 23.

Fig. 23
figure 23

Potentiometric titration and speciation diagram of glycine for protonation constants determination at T = 298.15 K and I = 0.15 mol·dm−3 NaNO3

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Appendix 2

See Figs. 24, 25, 26, 27.

Fig. 24
figure 24

Conductometric titration curves for a Co(II)–NA, b Co(II)–G, c Co(II)–GG, d Co(II)–GP and e Co(II)–GGG binary systems at I = 0.16 mol·dm−3 NaNO3, T = 298.15 ± 0.1 K, [Co(II)] = [NA] = [G] = [GG] = [GP] = [GGG] = 1 × 10−3 mol·dm−3

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Fig. 25
figure 25

Conductometric titration curves for a Co(II)–NA–G, b Co(II)–NA–GG, c Co(II)–NA–GG, d Co(II)–NA–GP and e Co(II)–NA–GGG ternary systems at I = 0.16 mol·dm−3 NaNO3, T = 298.15 ± 0.1 K, [Co(II)] = [NA] = [G] = [GG] = [GP] = [GGG] = 1 × 10−3 mol·dm−3

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Fig. 26
figure 26

Conductometric titration curves for a Ni(II)–NA, b Ni(II)–G, c Ni(II)–GG, d Ni(II)–GP and e Ni(II)–GGG binary systems at I = 0.16 mol·dm−3 NaNO3, T = 298.15 ± 0.1 K, [Ni(II)] = [NA] = [G] = [GG] = [GP] = [GGG] = 1 × 10−3 mol·dm−3

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Fig. 27
figure 27

Conductometric titration curves for a Ni(II)–NA–G, b Ni(II)–NA–GG, c Ni(II)–NA–GG, d Ni(II)–NA–GP and e Ni(II)–NA–GGG ternary systems at I = 0.16 mol·dm−3 NaNO3, T = 298.15 ± 0.1 K, [Ni(II)] = [NA] = [G] = [GG] = [GP] = [GGG] = 1 × 10−3 mol·dm−3

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Rajhi, A.Y., Ju, YH., Angkawijaya, A.E. et al. Complex Formation Equilibria and Molecular Structure of Divalent Metal Ions–Vitamin B3–Glycine Oligopeptides Systems. J Solution Chem 42, 2409–2442 (2013). https://doi.org/10.1007/s10953-013-0116-5

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