Development of approaches and methods of physical chemistry for studying multicomponent supramolecular, molecular and ion-molecular systems as materials of the future

Head of the department: 
Scope of research: 

- Gaining new knowledge about the physicochemical processes of formation of solution structure when predicting the behavior of liquid phase and fluid systems in response to external influences.

- Developing the theory of solutions and simulation approaches to describing liquid phase systems based on using computational chemistry methods and experimental studies of a variety of properties of multicomponent systems within a wide range of parameters of states including supercritical conditions.

- Establishing the regularities in the effect of the structure of compounds on their thermodynamic properties in multicomponent solutions to better study the mechanism of intermolecular interactions.

- Identifying the role of solvophobic effects on the physicochemical parameters of liquid phase systems within a wide range of pressure and temperature values. - Structural analysis of liquid phase and fluid systems based on modern methods of structural chemistry.

- Studying the effect of the composition of composite proton-conducting membranes based on polymers dopes with ionic liquids on their electrochemical and physicochemical properties.

- Based on dipyrromethene dyes obtaining new luminescent sensors, nanostructured biocompatible systems of delivery of biomarkers, photosensitizers, mono-/multilayer components of OLED devices with photoinduced electron transfer.

- Studying the interactions of biopolymers with macroheterocyclic compounds for medical purposes. - Finding regularities in interactions of macroheterocyclic and heteroaromatic compounds with biopolymers, establishing the effect of the nature of ligands on the strength of their binding with the polymer, ligand localization in the polymer in order to develop transport systems, sensors based on macroheterocyclic compounds and photothermosensitive polymer complexes based on polymers and heteroaromatic compounds.

- Synthesis of iron-containing dendrimer complexes based on spin equilibrium systems.

Key words: 
Supramolecular systems
Photoactive compounds
Polymorphism
Solvation
Supercritical fluids
Delivery systems
Machine learning
Cooperation: 

- Leipzig University (Germany);

- University of Coimbra (Portugal);

- University of Lille (Lille, France);

- Tianjin University (China);

- New York University Shanghai (China);

- Kazan Federal University (Kazan);

- Kazan State Medical University (Kazan);

- Zavoisky Physical Technical Institute (Kazan);

- Saint Petersburg State University (Saint Petersburg);

- A.N.Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences (Moscow);

- N. D. Zelinsky Institute of Organic Chemistry Russian Academy of Sciences (Moscow);

- Lobachevsky State University of Nizhny Novgorod (Nizhny Novgorod);

- Privolzhsky Research Medical University (Nizhny Novgorod);

- M.N. Mikheev Institute of Metal Physics of the Ural Branch of the Russian Academy of Sciences (Ekaterinburg);

- Ivanovo State University of Chemistry and Technology (Ivanovo);

- Nanomaterials Research Institute of Ivanovo State University (Ivanovo);

- Ivanovo State University (Ivanovo).

Publications: 

1. Barannikov V.P., Smirnov V.I., Kurbatova M.S. The thermochemical behavior of glycyl-L-histidine and β-alanyl-L-histidine peptides in (SDS + phosphate-buffered saline) micellar solution at pH = 7.4 // Journal of Molecular Liquids. – 2021. – V.331. – P. 115766. https://doi.org/10.1016/j.molliq.2021.115766

2. Khodov I.A. et al. Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis // International Journal of Molecular Sciences. – 2023. – V.24. – P. 6882. https://doi.org/10.3390/ijms24086882

3. Oparin R.D. et al. Polymorphism and conformations of mefenamic acid in supercritical carbon dioxide // The Journal of Supercritical Fluids, – 2019. – V.152. – P. 104547. https://doi.org/10.1016/j.supflu.2019.104547

4. Bumagina N. A. et al. Basic structural modifications for improving the practical properties of BODIPY // Coordination Chemistry Reviews. – 2022. V. 469. P. 214684. https://doi.org/10.1016/j.ccr.2022.214684

5. Lebedeva N.S. et al. Theoretical and experimental study of interaction of macroheterocyclic compounds with ORF3a of SARS-CoV-2 // Scientific reports. – 2021. – V.11. – No 1. – P. 19481. https://doi.org/10.1038/s41598-021-99072-8

6. Gruzdev M. S., Chervonova U. V., Vorobeva V. E., Kolker A. M. Highly branched mesomorphic iron(III) complexes with a long alkyl fragments on periphery // Journal of Molecular Liquids. – 2020. – V. 320. – P. 114505. https://doi.org/10.1016/j.molliq.2020.114505

7. Shmukler L.E., Fedorova I.V., Fadeeva Yu. A., Safonova L.P. The physicochemical properties and structure of alkylammonium protic ionic liquids of RnH4-nNX (n = 1 – 3) family. A mini–review // Journal of Molecular Liquids. – 2021. – V. 321. – P. 114350. https://doi.org/10.1016/j.molliq.2020.114350

8. Ramenskaya L.M, Grishina E.P, Kudryakova N.O. Comparative study of atmospheric ionic liquids based on bis(trifluoromethylsulfonyl)imide anion and alkyl substituted cations of ammonium, pyrrolidinium and imidazolium // Journal of Molecular Liquids, – 2020. – V. 312. – P. 113368. V. 312, 113368. http://dx.doi.org/10.1016/j.molliq.2020.113368

9. Andrey V. Kustov et al. Monocationic Chlorin as a Promising Photosensitizer for Antitumor and Antimicrobial Photodynamic Therapy // Pharmaceutics – 2023. – V. 15. – P. 61. https://www.mdpi.com/1999-4923/15/1/61

10. Ksenofontov A.A et al. Accurate prediction of 11B NMR chemical shift of BODIPYs via machine learning // Physical Chemistry Chemical Physics. – 2023. – V.25. – P. 9472. https://pubs.rsc.org/en/content/articlehtml/2023/cp/d3cp00253e