OpenLab 'NMR-structure'
Address: 420008, Russia, Kazan, Kremlyovskaya str., 16а, rooms 104,106.
Phones: +7 (843) 233-76-01, +7 (843) 233-70-12
The project "Qualitative and quantitative composition of oil and petroleum products" within the framework of the Strategic Academic Unit "Ecooil - Global Energy and Resources for the Materials of the Future".
The goal of the project is to adapt the methods of modern nuclear magnetic resonance (NMR) spectroscopy (one-dimensional NMR (1H, 13C) and two-dimensional NMR (COSY, HSQC, HMBC, TOCSY, HSQC-TOCSY, etc.) spectroscopy) to determining the qualitative and quantitative composition of oil and petroleum products, description in the NMR language of typical impurities present in these samples.
STAFF
Head of laboratory
Leading researcher, doctor of science, professor
h-index = 12
Leading researcher, doctor of science, professor
h-index = 17
Responsible executor of the project
Senior researcher, candidate of science
h-index = 3
IZRahmatullin@kpfu.ru
Senior researcher, candidate of science
h-index = 7
Kazan Institute of Biochemistry and Biophysics
of Kazan Science Centre of the Russian Academy of Sciences
Senior researcher, candidate of science
h-index = 7
G.A. Krestov Institute of Solution Chemistry
of the Russian Academy of Sciences (Ivanovo)
Junior researcher
h-index = 2
postgraduate
Assistant researcher
postgraduate
Oksana Mikheeva
Assistant researcher
postgraduate
Assistant researcher
h-index = 1
postgraduate
Nikolaj Klochkov
Assistant researcher
Student
RESEARCHES
The modern techniс of NMR spectroscopy is not only increased sensitivity and high resolution, but also two-dimensional NMR spectroscopy methods that let us to extract additional information on the composition of oil and petroleum products samples from NMR spectra. In fact, NMR spectroscopy can be the main method of certification of any products of the oil industry. Taking into account the importance of products of processing hydrocarbon raw materials for the national economy, the task of applying modern NMR spectroscopy to determining the composition of oil and petroleum products is very important and relevant.
Determination of the chemical composition, spatial structure and intramolecular mobility of organic and bioorganic compounds and complexes based on them in various solvents and in solid phase in such areas as organic and bioorganic chemistry, medicine and pharmacology.
NMR spectroscopy can be used for qualitative and quantitative analysis of food products, isomeric products of organic compounds, polymeric substances, and natural products (oil, cellulose, etc.).
WORK AND SERVICES
1. Analysis of samples in liquid phase and in solutions:
a) Determination of the chemical structure, the conformations of molecules in solutions, intermolecular interactions and equilibria, the purity of chemical compounds and the kinetics of the reactions;
b) Analysis of the final and intermediate products of chemical reactions;
c) Study of multiposition chemical exchange, structural analysis of proteins, enzymes, steroids, etc.
2. Analysis of powdered and solid samples:
A) Structural analysis of compounds and complexes.
B) Recording of high-resolution spectra, high-temperature spectra (up to 390 K), low-temperature spectra (down to 150 K).
EQUIPMENT
NMR spectrometer AVANCE - III-TM - HD – 700 “Bruker”
QCI CryoProbe sensor enables NMR measurements on cores - 1Н, 13С, 15N, 31P; CP/MAS NMR - 1Н, 13С, 15N; sensitivity of 1H ~ 5600 : 1 for 0.1% ethylbenzene solution.
The unit is located in room 104, Institute of Physics, KFU
NMR spectrometer AVANCE - II-TM - 500 “Bruker”
1H (500 MHz) and 13C (125.69 MHz), multicore, the ability to shoot two-dimensional NMR spectra (COSY, TOCSY, HSQC, NOESY), CP/MAS NMR on the 13С, 14N, 15N, 19F, 29Si; sensitivity of 1H - 200 : 1 for 0.1% ethylbenzene solution.
The unit is located in room 106, Institute of Physics, KFU
COFINANCING
1. RFFI grant, №: 15-03-02877_а, 01.01.2015 - 31.12.2017, project manager: I.I. Stoikov, scope of financing: 540000 rub.
2. RFFI grant, №: 16-33-60014, 01.01.2016-31.12.2018, project manager: L.F. Galiullina, scope of financing: 1700000 rub.
3. RFFI grant, №: 16-03-20089, 16.03.2016-31.12.2016, project manager: A.V. Aganov, scope of financing: 200000 rub.
4. RFFI grant, №: 31.21.29; 31.21.17; 31.15.27, 01.04.2015-31.12.2016, project manager: A.V. Salin, scope of financing: 660000 rub.
5. Busines deal PJSC “Nizhnekamskneftekhim", №: 29, 16.07.2016-31.12.2016, project manager: A.V. Aganov, scope of financing: 250000 rub.
6. Busines deal PJSC “Nizhnekamskneftekhim", №: 29, 16.09.2016-31.12.2016, project manager: A.V. Aganov, scope of financing: 500000 rub.
EDUCATIONAL PROGRAMS
PUBLICATIONS
Rakhmatullin, I.Z. Qualitative and quantitative analysis of oil samples extracted from some Bashkortostan and Tatarstan oilfields based on NMR spectroscopy data [Text] /I.Z. Rakhmatullin, S.V. Efimov, B.Ya. Margulis, V.V. Klochkov // Journal of Petroleum Science and Engineering. - 2017. - 156. - P. 12-18; DOI: https://doi.org/10.1016/j.petrol.2017.04.041; IF 2.08.
Shibaeva, K.S. Synthesis of p-tert-butylthiacalix[4]arene with spatially separated phosphoryl and amino groups [Text] / K.S. Shibaeva, A.A. Nazarova, D.I. Kuznetsova, I.I. Stoikov // Russian Journal of General Chemistry. - 2017. - 87 (9). - P. 2115-2118; DOI: 10.1134/S1070363217090341; IF 0.553.
Nazarova, A.A. Synthesis of pillar[5]arenes with a PH-containing fragment [Text] / A.A. Nazarova, L.I. Makhmutova, I.I. Stoikov // Russian Journal of General Chemistry. - 2017. - 87 (9). - P. 1941-1945; DOI: 10.1134/S1070363217090080; IF 0.553.
Shurpik, D.N. Supramolecular polymer based on aminated monosubstituted pillar[5]arene [Text] / D.N. Shurpik, D.A. Sevastyanov, V.G. Evtyugin, I.I. Stoikov // Russian Journal of General Chemistry. - 2017. - 87 (9). - P. 2125-2129; DOI: 10.1134/S1070363217090377; IF 0.553.
Padnya, P.L. Effect of the alkylidene spacer and the p-tert-butylthiacalix[4]arene macrocyclic platform on the reactivity of the hydroxyl groups in the acylation reaction [Text] / P.L. Padnya, E.E. Bayarashov, O.S. Potrekeeva, I.I. Stoikov // Russian Journal of General Chemistry. - 2017. - 87 (9). - P. 2111-2114; DOI: 10.1134/S107036321709033X; IF 0.553.
Rakhmatullin, I.Z. Complicated Conformational Exchange of New Pyridoxine Derivative. Dynamic 13C NMR Characterization [Text] / I.Z. Rakhmatullin, L.F. Galiullina, F.K. Karataeva, V.V. Klochkov // BioNanoScience. - 2017. - 7 (4). - P. 555-557; DOI: 10.1007/s12668-017-0426-y; IF 0.559.
Yakimova, L.S. Self-assembled fractal hybrid dendrites from water-soluble anionic (Thia)calix[4] arenes and Ag+ [Text] / L.S. Yakimova, L.H. Gilmanova, V.G. Evtugyn, Y.N. Osin, I.I. Stoikov // Journal of Nanoparticle Research. - 2017. - 19 (5). - Article number 173; DOI: 10.1007/s11051-017-3868-9; IF 2.020.
Stoikov, I.I. Design and applications of supramolecular systems based on (thia)calixarene ammonium derivatives (Book Chapter) / I.I. Stoikov, P.L. Padnya, E.A. Andreyko, J.B. Puplampu // Supramolecular Systems: Chemistry, Types and Applications. - 2017. - P. 1-38; ISBN: 978-163485907-3;978-163485885-4.
Yakimova, L.S. Pillar[5]arenes bearing amide and carboxylic groups as synthetic receptors for alkali metal ions [Text] / L.S. Yakimova, D.N. Shurpik, A.R. Makhmutova, I.I. Stoikov // Macroheterocycles. - 2017. - 10 (2). - P. 226-232; DOI: 10.6060/mhc170511s; IF 0.804.
Mostovaya, O.A. Iminodiacetic derivatives of p-tert-butylthiacalix[4]arene: Synthesis and influence of conformation on the aggregation with bismarck brown Y [Text] / O.A. Mostovaya, P.L. Padnya, D.N. Shurpik, A.A. Vavilova, V.G. Evtugyn, Y.N. Osin, I.I. Stoikov // Macroheterocycles. - 2017. - 10 (2). - P. 154-163; DOI:10.6060/mhc161293s; IF 0.804.
Kalmykov, P.A. Theoretical and experimental study of imine-enamine tautomerism of condensation products of propanal with 4-aminobenzoic acid in ethanol [Text] / P.A. Kalmykov, I.A. Khodov, V.V. Klochkov, M.V. Klyuev // Russian Chemical Bulletin. - 2017. - 66 (1), P. 70-75; DOI: 10.1007/s11172-017-1701-3; IF 0.529.
Khodov, I.A. N-Confused porphyrins: Complexation and 1H NMR studies [Text] / I.A. Khodov, O.V. Maltceva, V.V. Klochkov, O.I. Koifman, N.Zh. Mamardashvili // New Journal of Chemistry. - 2017. - 41 (16). - P. 7932-7937; DOI: 10.1039/c7nj01814b; IF 3.269.
Padnya, P.L. Towards macrocyclic ionic liquids: novel ammonium salts based on tetrasubstituted p-tert-butylthiacalix[4]arenes [Text] / P.L. Padnya, E.A. Andreyko, P.A. Gorbatova, V.V. Parfenov, I.K. Rizvanov, I.I. Stoikov // RSC Advances. - 2017. - 7 (3). P. 1671-1686. - ISSN: 20462069; DOI: 10.1039/C6RA24734B; IF 3,29; http://pubs.rsc.org/en/content/articlehtml/2017/RA/C6RA24734B
Nazarova, A.A. Monoaminophosphorylated Pillar[5]arenes as hosts for alkaneamines [Text] / A.A. Nazarova , L.S. Yakimova, V.V. Klochkov, I.I. Stoikov // New Journal of Chemistry. - 2017. - 41(4). - P. 1820-1826. - ISSN: 11440546; DOI: 10.1039/C6NJ03345H; IF 3.28; http://pubs.rsc.org/en/Content/ArticleLanding/2017/NJ/C6NJ03345H#!divAbstract.
Ksenofontov, A.A. Zinc(II) bis(dipyrromethenate)s crystal solvates with dimethyl sulfoxide Composition, stability and spectral-luminescent properties [Text] / A.A. Ksenofontov, G.B. Guseva, E.V. Antinа, I.A. Khodov, A.I. Vyugin // Sensors and Actuators, B: Chemical. - 2017. - 251. - P. 858-868. - ISSN: 09254005; DOI: 10.1016/j.snb.2017.05.143; IF 4.76; http://www.sciencedirect.com/science/article/pii/S0925400517309668.
Maltceva, O. Molecular recognition of nitrogen–containing bases by Zn[5,15-bis-(2,6-dodecyloxyphenyl)]porphyrin [Text] / O. Maltceva, G. Mamardashvili, I. Khodov, D. Lazovskiy, V. Khodova, M. Krest'yaninov, N. Mamardashvili, W. Dehaen // Supramolecular Chemistry. - 2017. - 29, 5. - P. 360-369. - ISSN: 10610278; DOI: 10.1080/10610278.2016.1238473; IF 1.47.
Efimov, S.V. Detailed NOESY/T-ROESY Analysis as an Effective Method for Eliminating Spin-Diffusion in 2D NOE Spectra of Small Flexible Molecules [Text] /S.V. Efimov, I.A. Khodov, E.L. Ratkova, M.G. Kiselev, S. Berger, V.V. Klochkov// Journal of Molecular Structure. – 2016.- V. 1104. - P. 63-69. –ISSN: 00222860; IF 1.78; http://dx.doi.org/10.1016/j.molstruc.2015.09.036.
Khodov, I.A. The Importance of Suppressing Spin Diffusion Effects in Determination of the Spatial Structure of a Flexible Molecule by Nuclear Overhauser Effect Spectroscopy [Text] / I.A. Khodov, S.V. Efimov, M.G. Kiselev, V.V. Klochkov, L.A.E. Batista de Carvalho// Journal of Molecular Structure. – 2016.- V. 1106. - P. 373-381. – ISSN: 00222860; IF 1.78; http://dx.doi.org/10.1016/j.molstruc.2015.10.055.
Khodov, I.A. Document Erratum: The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy (Journal of Molecular Structure (2016) 1106 (373-381)) [Text] / I.A. Khodov, S.V. Efimov, M.G. Kiselev, L.A.E. Batista de Carvalho, V.V. Klochkov // Journal of Molecular Structure. – 2016. - V. 1113. - P. 191-192. – ISSN: 00222860; IF 1.78; http://dx.doi.org/10.1016/j.molstruc.2016.02.072.
Khodov, I.A. Comment on “Conformational analysis of small organic molecules using NOE and RDC -methylene-γ-butyrolactone” [Text] / I.A. Khodov, M.G. Kiselev, S.V. Efimov, V.V. Klochkov // Journal of Magnetic Resonance. – 2016. – V. 266. - P. 67-68; IF 2.89; http://dx.doi.org/10.1016/j.jmr.2016.02.009.
Rakhmatullin, I.Z. Structural studies of pravastatin and simvastatin and their complexes with SDS micelles by NMR spectroscopy [Text] / I.Z. Rakhmatullin, L.F. Galiullina, E.A. Klochkova, I.A. Latfullin, A.V. Aganov, V.V. Klochkov // Journal of Molecular Structure. – 2016. – 1105. - P. 25-29; IF 1,78; http://dx.doi.org/10.1016/j.molstruc.2015.10.059.
Smolko, V. Organic Acid and DNA Sensing with Electrochemical Sensor Based on Carbon Black and Pillar[5]arene [Text] / V. Smolko, D. Shurpik, V. Evtugyn, I. Stoikov, G. Evtugyn // Electroanalysis. – 2016. – 28 (6). -P. 1391-1400; IF 2,471; DOI: 10.1002/elan.201501080
Yakimova, L.S. Highly selective binding of methyl orange dye by cationic water-soluble pillar[5]arenes [Text] / L.S. Yakimova, D.N. Shurpik, L.H. Gilmanova, A.R. Makhmutova, A. Rakhimbekova, I.I. Stoikov // Organic and Biomolecular Chemistry. – 2016. – 14 (18). - P. 4233-4238; IF 3,559; DOI: 10.1039/C6OB00539J.
Shibaeva, K.S. Synthesis of aminobismethylenephosphonic acids on a platform of p-tert-Butylthiacalix[4]arene in 1,3-alternate configuration [Text] / K.S. Shibaeva, A.A. Nazarova, D.I. Kuznetsova, I.I. Stoikov // Russian Journal of General Chemistry. – 2016. – 86 (3). - P. 579-583; IF 0,481; DOI: 10.1134/S1070363216030130.
Faizullin, D.A. Novel type of isoprenoid membrane anchors: An investigation of binding properties with dipalmitoylphosphatidylcholine vesicles [Text] / D.A. Faizullin, M.S. Dzyurkevich, Y.A. Valiullina, D.R. Islamov, O.N. Kataeva, Y.F. Zuev, V.V. Plemenkov, I.I. Stoikov // Journal of Physical Organic Chemistry. – 2016; IF 1,515; DOI: 10.1002/poc.3618.
Yakimova, L.S. Amide-functionalized pillar[5]arenes as a novel class of macrocyclic receptors for the sensing of H2PO4 – anion [Text] / L.S. Yakimova, D.N. Shurpik, I.I. Stoikov // Chemical Communications. – 2016. – 52. – P. 12462-12465; IF 6,567; DOI: 10.1039/C6CC05797G.
Vavilova, A.A. Synthesis of three stereoisomers of p-tert-butylthiacalix[4]arene substituted with (ethoxycarbonyl)methoxy and fluorescent 1-amidoanthraquinone fragments [Text] / A.A. Vavilova, R.V. Nosov, O.A. Mostovaya, I.I. Stoikov // Macroheterocycles. - 2016. - 9(3). – P. 294-300; IF 0,804; DOI: 10.6060/mhc160531s.
