Associate professor V. A. Minaeva celebrates 75 years from her birthday

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Yu. A. Shaforost
V. I. Boyko
O. A. Lut


Introduction. This article covers the main periods of life, scientific and pedagogical activity of the candidate of chemical sciences, associate professor of Cherkasy national university – Valentina Olexandrivna Minaeva.

Purposе. The main purpose of this review is to illucidate the creative life path-way of the associate professor V. O. Minaeva during 50 years of her scientific carrier. In the article there are reflected the significant achievements of the scientist and her contribution in the field of analytical chemistry and IR spectroscopy of steroid hormons, O2 binding by hemoglobin and oxidative phosphorylation processes. The materials of the article and the list of references acquaint the readers with the directions of scientific activity and with scientific interests of the scientist, which include quantum chemistry and investigations of the molecular oxygen spin effects during biological oxidation.

Methods. Results being described and discussed in this article are obtained by quantum-chemical methods (DFT, MC SCF, MRCI, TDDFT, linear and quadratic response in CASSCF method) and by experimental studies with the FT-IR, Raman and UV-vis spectroscopy methods.

Results.Three main groups of V. O. Minaeva studies are discussed here; (i) theoretical analysis of IR and Raman spectra of steroid hormons including THz applications, (ii) calculations of spin-orbit coupling effects in O2 molecule and in its enzymatic reactions, (iii) studies of absorption and luminescence spectra of organic semiconductors used in emitter layer of light emitting diodes (OLEDs). The results of associate professor V. O. Minaeva studies are well cited in the world science. According to the world agency “Googlr Scholar” the associate professor V. O. Minaeva has the Hirsch index h=22 and the total number of 1348 citations (879 since 2015 year). According to  "Scopus" Minaeva V. O. has the Hirsch rating h = 19.

Originality. Electronic mechanisms of dioxygen activation by glucose oxidases, by mono- and di-oxygenases through electron transfer from FAD cofactor or from substrate itself to superoxide ion are the first physically well-grounded mechanisms of overcoming spin prohibition in biological oxidation. The role of low-frequency vibrations ofsteroid hormons(including the THz applications) is shown and explained for the first time. The detailed analysis of FTIR and Raman spectra of numerous heterocirculenes is also an original contribution and achievement of ChNU chemical group led by V. O. Minaeva.

Conclusion. Valentyna Oleksandrivna Minaeva has spent more than thirty years of her scientific and pedagogical activity to the teaching and training of highly qualified chemists-analysts, which are working in schools, scientific and research-production laboratories of Cherkasy region, as well as behind and throughout Ukraine. Associate Professor Minaeva made a significant contribution to the establishment of the Cherkasy School of Analytical and Physical Chemistry, Molecular Spectroscopy, as evidenced by her scientific publications – more than half hundred articles in the Scopus-registered journals (some of them are presented in Refs. [1-33]), 3 monographs, 15 textbooks and about a thousand citations. The main achievements include analysis of IR, visible and ultraviolet (UV) spectra of steroid hormons, metal complexes of iridium and ruthenium, xanthenes, rhodanides and a big new class of [8]circulene compoundss. During last 10 years V. O. Minaeva has based her quantum calculations on the density functional theory (DFT) for the force fields of steroid hormones; their IR spectra became the hallmark of our university in respect to hormones vibrational spectroscopy, in analysis of hormone–receptor interaction and recognition. Introduction of terahertz radiofrequency techniques for the studies of steroid hormones low-frequency IR spectra together with their Raman scattering measurmentsprovide an innovative step in this important branch of the medico-biological science.

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Minaev, B. F., & Minaeva, V. A. (2008). Spin-dependent binding of dioxygen to heme and charge-transfer mechanism of spin-orbit coupling enhancement. Ukrainica Bioorganica Acta, 6(2), 56–64.

Minaeva,V.A. (2008). Vibrational spectra of the steroid hormones,estradiol and estriol, calculated by density functional theory. The role of low-frequency vibrations.Ukr. Biokhim. Zh., 80(4), 82–95.

Minaeva, V. A. (2012). Experimental and theoretical study of IR and Raman spectra of tetraoxa circulenes. Vibrational Spectroscopy, 61, 156–166.

Cherkasova, O. P., Nazarov, M. M., Sapozhnikov, D. A., Man'aposkova, A. A., Fedulova, E. V., Volodin, V. A., Minaeva, V. A., Minaev, B. F., Baryshnikov, G. V. (2010). Vibrational spectra of corticosteroid hormones in the terahertz range. Laser Applications in Life Sciences, 73760.

Minaev, B. F., & Minaeva, V. A. (2006). Study of IR spectrum of the 17β-estradiol using quantum-chemical density functional theory. Biopolymers & Cell, 22(5), 363–374.

Minaeva, V. A., Cherkasova, O. P., Minaev, B. F., Baryshnikov, G. V., & Khmara, A. V. (2015). Features of terahertz adsorption and Raman scattering of mineralocorticoid hormones. Bulletin of the Russian Academy of Sciences: Physics, 79(9), 1196–1201.

Minaev, B.F., Agren, H, & Minaeva, V. A.(2017). Spin-orbit coupling in enzymatic reactions and the role of spin in biochemistry. Handbook of Computational Chemistry, 1557–1587.

Minaeva, V. A., Minaev, B. F., Baryshnikov, G. V., Romeyko, O. M., & Pittelkow, M. (2013). The FTIR spectra of substituted tetraoxa circulenes and their assignments based on DFT calculations. Vibrational Spectroscopy, 65, 147–158.

Minaev, B. F., Minaeva, V. A., Baryshnikov, G. V., Girtu, M. A., & Agren, H. (2009). Theoretical study of vibration spectra of sensitizing dyes for photoelectrical converters based on ruthenium (II) and iridium (III) complexes. Russian journal of applied chemistry, 82(7), 1211–1221.

Minaeva, V. A., Minaev, B. F., Baryshnikov, G. V., Romeyko, O. N., & Pittelkow, M. (2012). Raman spectra of tetraoxa circulenes. p-dinaphthalenodiphenylenotetrafuran and its tetraalkyl derivatives (DFT study and experiment). Journal of Applied Spectroscopy, 79,(5), 695–707.

Minaeva, V. A., Minaev, B. F., Baryshnikov, G. V., Surovtsev, N. V., Cherkasova, O. P., Tkachenko, L. I., Karaush, N. N., Stromylo, E. V. (2015). Temperature effects in low-frequency Raman spectra of corticosteroid hormones. Optics and Spectroscopy, 118(2), 214–223.

Minaev, B. F., & Minaeva, V. A. (1999). Ab Initio Study of the Phosphorescence of Nitrite Ions. Journal of Fluorescence, 9(3), 221–232.

Minaeva, V., Karaush-Karmazin, N., Baryshnikov, G. (2019). A complete characterization of vibrational IR and Raman spectra of the highly-symmetrical octathia circulene. Vibrational Spectroscopy, 100, 107–116.

Minaeva, V. A., Karaush, N. N., Minaev, B. F., Baryshnikov, G. V., Chen, F., Tanaka, T.,Osuka, A. (2017). Comparative study of the structural and spectral properties of tetraaza-and tetraoxaannelated tetracirculenes. Optics and Spectroscopy, 122(4), 523–540.

Slepets, A. A., & Minaeva, V. A. (2014). A study of the role played by the Hartree-Fock orbital exchange in the formation of the energy of the first singlet charge-transfer excited state. Optics and Spectroscopy, 116(3), 431–437.

Minaeva, V. A., Minaev, B. F., & Kapinus, S. S. (2010). Study of IR spectrum of the testosterone and ethyniltestosterone by quantum-chemical density functional theory. Biopolymers and cell, 26(1), 62–71.

Gusev, A. N., Kiskin, M.A., Braga, E. V., Chapran, M., Wiosna-Salyga, G., Baryshnikov, G. V., Minaeva, V. A., Minaev, B. F., Ivaniuk, K., Stakhira, P. Ågren, H., Linert, W. (2019). Novel Zinc Complex with an Ethylenediamine Schiff Base for High-Luminance Blue Fluorescent OLED Applications. Journal of Physical Chemistry C, 123(18), 11850–11859.

Milekhin, I. A., Cherkasova, O. P., Milekhin, A. G., Kuznetsov, S. A., Rodyakina, E. E., & Minaeva, V. A. (2018). Surface-enhanced infrared spectroscopy for cortisol analysis.Proceedings – International Conference Laser Optics..

Baryshnikov, G.V., Valiev, R. R., Cherepanov, V. N., Karaush-Karmazin, N. N., Minaeva, V. A., Minaev, B. F., Agren, H.(2019). Aromaticity and photophysics of tetrasila-and tetragerma-annelated tetrathienylenes as new representatives of the hetero [8] circulene family. Physical chemistry chemical physics, 21(18), 9246–9254.

Minaev, B.F., Minaeva, V. A., & Agren, H.(2009). Theoretical study of the cyclometalated iridium (III) complexes used as chromophores for organic light-emitting diodes. The Journal of Physical Chemistry A, 113(4), 726–735.

Minaeva, V.A., Minaev, B. F., Baryshnikov, G. V., Agren, H., & Pittelkow, M. (2012). Experimental and theoretical study of IR and Raman spectra of tetraoxa [8] circulenes. Vibrational Spectroscopy, 61, 156-166.

Minaev, B. F., & Minaeva V. A. (2001). MCSCF response calculations of the excited states properties of the O2 molecule and a part of its spectrum. Physical Chemistry Chemical Physics, 3(5), 720–729.

Baryshnikov, G.V., Minaev, B.F., Karaush, N.N., & Minaeva, V.A. (2014). Design of nanoscaled materials based on tetraoxa circulene. Physical Chemistry Chemical Physics, 16(14), P. 6555–6559.

Baryshnikov, G.V. Minaev, B.F., Karaush, N.N., & Minaeva, V.A.мс(2014). The art of the possible: computational design of the 1D and 2D materials based on the tetraoxa circulene monomer.RSC Advances, 4(49), P. 25843–25851.

Baryshnikov, G.V., Minaev, B.F., & Minaeva, V.A. (2014). Electronic structure, aromaticity and spectra of hetero circulenes. Russian Chemical Reviews, 84(5), P. 455–477.

Baryshnikov, G.V., Minaev, B.F., Minaeva, V.A., & Nenajdenko, V.G. (2013). Single crystal architecture and absorption spectra of octathio circulene and sym-tetraselenatetrathio circulene: QTAIM and TD-DFT approach. Journal of molecular modeling, 19(10), P. 4511–4519.

Baryshnikov, G.V., Minaev, B.F., & Minaeva, V.A. (2011). Quantum-chemical study of effect of conjugation on structure and spectral properties of C105 sensitizing dye. Optics and Spectroscopy, 110(3), P. 393–397.

Baryshnikov, G.V., Minaev, B.F., Minaeva, V.A., Podgornaya, A.T., & Ågren, H.(2012). Application of Bader’s atoms in molecules theory to the description of coordination bonds in the complex compounds of Ca2+ and Mg2+ with methylidene. Russian Journal of General Chemistry, 82(7), P. 1254–1262.

Baryshnikov, G.V., Minaev, B.F., Korop, A.A., Minaev,a V.A., & Gusev, A.N. (2013). Structure of zinc complexes with 3-(pyridin-2-yl)-5-(arylideneiminophenyl)-1H-1, 2, 4-triazoles in different tautomeric forms: DFT and QTAIM study. Russian Journal of Inorganic Chemistry, 58(8), P. 928–934.

Baryshnikov, G.V., Minaeva, V.A., Minaev, B.F., & Karaush, N.N. (2015). A DFT and QTAIM study of the novel d-block metal complexes with tetraoxa circulene-based ligands. New Journal of Chemistry, 39(10), P. 7815–7821.

Karaush, N.N., Baryshnikov, G.V., Minaeva, V.A., Ågren, H., & Minaev, B.F. (2017). Recent progress in quantum chemistry of hetero circulenes. Molecular Physics, 115(17–18), P. 2218–2230.

Baryshnikov, G.V., Minaev, B.F., Minaeva, V.A., Ning, Z., & Zhang, Q. (2012). Structure and spectral properties of truxene dye S5. Optics and Spectroscopy, 112(2), P. 168–174.

Minaeva, V. A., Minaev, B. F., Baryshnikov, G.V., Kopylova, T.N., & Gadirov, R.M. (2011). Study of structure and spectral characteristics of the binuclear zinc complex with (E)-2-({2-[3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]phenylimino}methyl)phenol. Russian Journal of General Chemistry, 81(11), P. 2332–2344.

Minaev, B.F., & Minaeva, V. A. (2012). Spin-orbit coupling in dioxygen activation and the role of spin in chemistry. Springer Berlin/Heidelberg, P. 1067–1093.

Cherkasova, O.P., Nazarov, M.M., Mańkova, A.A., Fedulova, E.V., Volodin, V.A., Minaeva, V.A., Minaev, B.F., Baryshnikov, G.V. (2010). Terahertz time-domain spectroscopy of testosterone, estradiol and estriol. 2010 International kharkov symposium on physics and engineering of microwaves, millimeter and submillimeter WAVES. (Kharkiv, 21-26 June 2010). Kharkiv: IEEE, P. 616–618.

Minaev, B. F., Minaeva, V.A., & Leschenko, V.N. (2004). Electronic structure models of flavoproteides and mechanism of oxidases action. Biopolymers and Cell, 20(3), P. 224–232.

Baryshnikov, G. V., Minaev B. F., & Minaeva V. A. (2012). Quantum-chemical study of the structure and optical properties of sensitized dyes of an indoline-thiazolidine series. Optics and Spectroscopy, 108(1), P. 16-22.