DETERMINATION OF THE OPTIMAL CONFIGURATION OF TRIPLE CHELATE COMPLEXES OF THE ESSENTIAL TRACE ELEMENT ZINC WITH VITAMIN C AND ESSENTIAL AMINO ACIDS
https://doi.org/10.37493/2307-910X.2022.4.9
Abstract
Within the framework of this work, the optimal configuration of triple chelate complexes of the trace element zinc with vitamin C and essential amino acids was determined using computer quantum chemical modeling. The interaction of the zinc atom with amino acids through a carboxyl group and an amino group and with vitamin C through various pairs of hydroxyl groups was considered. It has been established that the formation of triple zinc complexes with vitamin C and essential amino acids is possible, which is confirmed by the high difference in the total energy of the triple complex and the amino acid (∆E = 2449.910 ± 1.345 kcal/mol), as well as the chemical hardness value η ≥ 0.076 eV, indicating the stability of molecular complexes. It has been established that the optimal configuration of triple chelate complexes of the essential trace element zinc with vitamin C and essential amino acids is the interaction of zinc with ascorbic acid with OH groups attached to C3 and C6 atoms and with amino acids through the carboxyl and amino groups.
Keywords
triple chelate complexes,
quantum chemical modeling,
essential amino acids,
essential trace elements,
vitamin C
Supporting agencies: The study was supported financially by the Russian Science Foundation (№ 22-76-00029)
About the Authors
A. V. Blinov
FSAEI HE "North-Caucasus Federal University"
Russian Federation
Russian Federation
Blinov Andrey V., Ph. D., assistant professor of the Department of Physics and Technology of Nanostructures and Materials, Faculty of Physics and Technology
Pyshkin str. 1, 355029 Stavropol
M. A. Pirogov
FSAEI HE "North-Caucasus Federal University"
Russian Federation
Russian Federation
Pirogov Maxim A., student of the Department of Physics and Technology of Nanostructures and Materials, Faculty of Physics and Technology
Pyshkin str. 1, 355029 Stavropol
A. A. Gvozdenko
FSAEI HE "North-Caucasus Federal University"
Russian Federation
Russian Federation
Gvozdenko Alexey A., assistant of the Department of Physics and Technology of Nanostructures and Materials, Faculty of Physics and Technology
Pyshkin str. 1, 355029 Stavropol
Al. B. Golik
FSAEI HE "North-Caucasus Federal University"
Russian Federation
Russian Federation
Golik Alexey B., assistant of the Department of Physics and Technology of Nanostructures and Materials, Faculty of Physics and Technology
Pyshkin str. 1, 355029 Stavropol
A. A. Yakovenko
FSAEI HE "North-Caucasus Federal University"
Russian Federation
Russian Federation
Yakovenko Andrey A., student of the Department of Physics and Technology of Nanostructures and Materials, Faculty of Physics and Technology
Pyshkin str. 1, 355029 Stavropol
A. A. Blinova
FSAEI HE "North-Caucasus Federal University"
Russian Federation
Russian Federation
Blinova Anastasiya A., Ph. D., assistant professor of the Department of Physics and Technology of Nanostructures and Materials, Faculty of Physics and Technology
Pyshkin str. 1, 355029 Stavropol
References
1. Sintez nanochastits dioksida margantsa v srede serosoderzhashchikh aminokislot / E. L. Malaya, A. V. Blinov, L. P. Aref'eva, S. O. Krandievskii // Aktual'nye problemy ehlektroehnergetiki, ehlektroniki i nanotekhnologii. – 2016. – S. 26-28.
2. Razrabotka ehlementosbalansirovannogo kompleksa lizinatoriboflavinata s ehssentsial'nymi mikroehlementami / A. B. Golik, N. P. Oboturova, A. V. Blinov, A. A. Nagdalyan // BBK 45/46 G67. – 2021. – S. 211.
3. Aisuvakova O. P., Baltaeva D. S., Kulanova A. B. Sostav i ustoichivost' askorbatov nikelya (II) // International innovation research. – 2017. – S. 34-38.
4. Shvorneva, N. S. Formirovanie gal'vanicheskikh pokrytii tsinkom v rastvorakh s dobavkoi aminokisloty / N. S. Shvorneva, A. S. Dzhumieva, E. V. Chentsova // Innovatsionnye materialy i tekhnologii: materialy dokladov Mezhdunarodnoi nauchno-tekhnicheskoi konferentsii molodykh uchenykh, Minsk, 9-11 yanvarya 2019 g. – Minsk: BGTU, 2019. - S. 470-473.
5. Tsink: aktual'nost' i kharakteristiki biodobavok (obzor literatury) / A. A. Khabarov, E. V. Budko, K. A. Lushov, L. A. Gorbacheva, N. O. El'tsova // Sovremennye problemy nauki i obrazovaniya. – 2012. – №. 3. – S. 361-361.
6. Chernova S. P., Trubacheva L. V. Potentsiometricheskoe izuchenie povedeniya ionov Zn (II) v vodnykh rastvorakh aminokislot i kompleksonov // Analitika i kontrol'. – 2006. – № 3/4. – S. 336-341.
7. Gipoglikemicheskaya aktivnost' khelatnykh kompleksov tsinka s aminokislotami / V. P. Kotegov, A. V. Sul'din, M. V. Lipina, N. A. Ivanova, K. K. Porshnev // Mikroehlementy v meditsine. – 2011. – T. 12. – №. 3-4. – S. 83-85.
8. Vliyanie aspartata tsinka i taurina na pul svobodnykh aminokislot v golovnom mozge krys / V. M. Sheibak, E. M. Doroshenko, M. V. Goretskaya, I. V. Lyakh // Vestsі Natsyyanal'nai akadehmіі navuk Belarusі. Seryya medytsynskіkh navuk. – 2012. – №. 3. – S. 77-81.
9. Apoptosis in the normal and inflamed airway epithelium: role of zinc in epithelial protection and procaspase-3 regulation / A. Q. Truong-Tran, D. Grosser, R. E. Ruffin, C. Murgia, P. D. Zalewski // Biochemical pharmacology. – 2003. – V. 66. – N. 8. – P. 1459-1468.
10. Kalinin O. V. Spetsificheskie funktsii nezamenimykh aminokislot // Molodezh' i nauka. – 2016. – №. 1. – S. 2-2.
11. Komp'yuternoe modelirovanie belkovo-vitaminnykh kompozitov, sbalansirovannykh po soderzhaniyu nezamenimykh aminokislot / R. I. Shazzo, L. D. Erashova, G. N. Pavlova, R. S. Ermolenko, L. A. Alekhina, A. A. Varivoda // Khranenie i pererabotka sel'khozsyr'ya. – 2007. – №. 6. – S. 62-64.
12. Lizin – odna iz vazhneishikh nezamenimykh aminokislot v obespechenii polnotsennogo pitaniya / O. V. Bobreshova, A. S. Faustov, M. I. Chubirko, V. I. Popov, I. V. Aristov, P. I. Kulintsov – Voronezh: Voronezhskii gosudarstvennyi universitet, 2003. – 80 s.
13. Rol' nezamenimoi aminokisloty triptofana v vozniknovenii narushenii sna i trevozhno-depressivnykh rasstroistv / V. E. Karnaukhov, E. A. Narodova, N. A. Shnaider, V. V. Narodova, D. V. Dmitrienko, R. F. Nasyrova // Chelovek i ego zdorov'e. – 2022. – №. 2. – S. 13-23.
14. Kakhramanova SH. I., Kulieva EH. A., Azizov I. V. Vliyanie novosintezirovannykh kompleksov tsinka s aminokislotami na morfofiziologicheskie pokazateli prorostkov pshenitsy // Akademicheskii zhurnal Zapadnoi Sibiri. – 2014. – T. 10. – №. 5. – S. 94-94.
15. Obogashchenie iodom produktsii zhivotnovodstva. Normy i tekhnologii / A. A. Spiridonov, E. V. Murashova, O. F. Kislova – Sankt-Peterburg, 2014. –105 s.
16. Malinovskii A. V. Yavlyaetsya li treonin nezamenimoi aminokislotoi? // Biological Communications. – 2011. – №. 1. – S. 66-71.
17. Vladimirova S. F., Strakhova V. V., Butko A. A. Sravnitel'nyi analiz belkovoi dobavki sushenoi na soderzhanie nezamenimykh aminokislot, uglevodov i vitaminov gruppy V // Tovaroved prodovol'stvennykh tovarov. – 2017. – №. 4. – S. 19-26.
18. Obespechennost' naseleniya Rossii mikronutrientami i vozmozhnosti ee korrektsii. Sostoyanie problemy / V. M. Kodentsova, O. A. Vrzhesinskaya, D. V. Risnik, D. B. Nikityuk, V. A. Tutel'yan // Voprosy pitaniya. – 2017. – T. 86. – №. 4. – S. 113-124.
Review
For citations:
Blinov A.V., Pirogov M.A., Gvozdenko A.A., Golik A.B., Yakovenko A.A., Blinova A.A. DETERMINATION OF THE OPTIMAL CONFIGURATION OF TRIPLE CHELATE COMPLEXES OF THE ESSENTIAL TRACE ELEMENT ZINC WITH VITAMIN C AND ESSENTIAL AMINO ACIDS. Modern Science and Innovations. 2022;(4):93-102. (In Russ.) https://doi.org/10.37493/2307-910X.2022.4.9
Views:
195
Email this article 