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Ionic Liquids - Analytical Reagents - Chemoinformatics

Research group of Prof. Igor V. Pletnev | e-mail

In brief

Our research concerns

(i) ionic liquids in chemical analysis (with a primary focus on solvent extraction);

(ii) analytical reagents for metal ions and organic compounds (host-guest complexation);

(iii) computational chemistry, chem(o)informatics and chemometrics.
This, in particular, includes participation in the development of IUPAC International Chemical Identifier, InChI

Reseach Group Members

Dr. Svetlana V. Smirnova, Assoc. Prof. | e-mail
Dr. Irina I. Torocheshnikova, Assoc. Prof.
Students

Current collaborations

Research group of Dr. Natalia V. Shvedene, Laboratory of Electrochemical Methods of Analysis, MSU Chem
Research group of Dr. Vladimir E. Baulin, Institute of Physical Chemistry and Electrochemistry RAS

Selected Publications

Svetlana V. Smirnova, Tatyana O. Samarina, and Igor V. Pletnev. Novel ionic liquids for liquid-liquid extraction. In book: Analytical Applications of Ionic Liquids , pages 139188. World scientific, 2016.

A. V. Rzhevskaia, N. V. Shvedene, and I. V. Pletnev. Anion-selective electrodes based on solidified 1,3-dihexadecylimidazolium ionic liquids with halide and pseudohalide anions. Journal of Electroanalytical Chemistry, 783:274279, 2016.

S. V. Smirnova, T. O. Samarina, D. V. Ilin, I. V. Pletnev, and Yu A. Zolotov. The method of appearing solvent: Extraction of metal ions from aqueous solutions into in situ forming ionic liquid. Doklady Chemistry, 469(2):238240, 2016.

Stephen Heller, Alan McNaught, Igor Pletnev, Stephen Stein, and Dmitrii Tchekhovskoi. InChI, the IUPAC international chemical identifier. Journal of Cheminformatics, 7:2323, 2015.

S. V. Smirnova, T. O. Samarina, and I. V. Pletnev. Hydrophobic-hydrophilic ionic liquids for the extraction and determination of metal ions with water-soluble reagents. Analytical Methods, 7:96299635, 2015.

Rzevskaia A.V., Shvedene N.V., Pletnev I.V. Solidified ionic liquid as crystalline sensing element of the bromide selective electrode. Sensors and Actuators, B: Chemical. 2014, v, 193, p. 563-567.

Stephen Heller, Alan McNaught, Stephen Stein, Dmitrii Tchekhovskoi, and Igor Pletnev. InChI - the worldwide chemical structure identifier standard. J. Cheminformatics. 2013, v. 5, p.7.

Pletnev I, Erin A, McNaught A, Blinov K, Tchekhovskoi D, Heller S. InChIKey collision resistance: an experimental testing. J. Cheminformatics. 2012, v. 4, p.39.

Shvedene NV, Rzhevskaia AV, Pletnev IV. Ionic liquids based on quaternary phosphonium cation as active components of solid-state iodide selective electrode. Talanta. 2012 Dec 15;102:1237.

N.V. Shvedene, O.A. Avramenko, V.E. Baulin, L.G. Tomilova, I.V. Pletnev. Iodide-Selective Screen-Printed Electrodes Based on Low-Melting Ionic Solids and Metallated Phthalocyanine. Electroanalysis, 2011, v. 23, N5, 1067-1072.

V.M. Egorov, D.I. Djigailo, D.S. Momotenko, D.V. Chernyshov, I.I. Torocheshnikova, S.V. Smirnova and I.V. Pletnev. Task-specific ionic liquid trioctylmethylammonium salicylate as extraction solvent for transition metal ions. Talanta, 2010, v. 80, N3, 1177-1182.

N.V. Shvedene, D.V. Chernyshev, Y.P.Gromova, M.Y. Nemilova, and I.V. Pletnev. Hydrophobic ionic liquids in plasticized membranes of ion-selective eletctrodes. J. Analyt. Chem., 2010, v. 65, N8, 861-865.

A.G. Vendilo, D.I. Djigailo, H.Ronkkomaki, M. Lajunen, E.A. Chernikova, L.H.J. Lajunen, I.V. Pletnev and K.I. Popov. A correlation of caesium-18-crown-6 complex formation constants with the extraction capability for hydrophobic ionic liquids. Mendeleev Communications, 2010, v. 20, N2, 122-124.

D.V. Chernyshov, V.M. Egorov, N.V. Shvedene, and I.V. Pletnev. Vladimir M. Egorov, Svetlana V. Smirnova and Igor V. Pletnev. Low-Melting Ionic Solids: Versatile Materials for Ion-Sensing Devices. ACS Appl. Mater. Interfaces, 2009, v.1 , N9, pp 2055-2059.

Vladimir M. Egorov, Svetlana V. Smirnova and Igor V. Pletnev. Highly efficient extraction of phenols and aromatic amines into novel ionic liquids incorporating quaternary ammonium cation. Separation and Purification Technology, 2008, 63, 710-715.

I.V. Pletnev, S.V. Smirnova and V.M. Egorov. Liquid-Liquid Extraction of Organic Compounds. In: Ionic Liquids in Chemical Analysis. Ed. By M. Koel. CRC Press, 2008. pp. 243-267.

Denis V Chernyshov, Natalia V Shvedene, Erika R Antipova, Igor V. Pletnev. Ionic liquid based miniature electrochemical sensors for the voltammetric determination of catecholamines. Anal. Chim. Acta, 2008, 621(2), pp. 178-184 .

D.V. Chernyshov, M.G. Khrenova, I.V. Pletnev, N.V. Shvedene. Screen-printed ion-selective electrodes covered with membranes containing ionic liquids. Mendeleev Communications, 2008, 18(8), 88-90.

V. M. Egorov, S. V. Smirnova, A.A. Formanovsky, I. V. Pletnev, and Yu A. Zolotov. Dissolution of cellulose in ionic liquids as a way to obtain test materials for metal-ion detection. Anal Bioanal Chem (2007) 387:2263-2269.

N. V. Shvedene, D. V. Chernyshov, M. G. Khrenova, A. A. Formanovsky, V.E. Baulin, I.V. Pletnev. Ionic Liquids Plasticize and Bring Ion-Sensing Ability to Polymer Membranes of Selective Electrodes. Electroanalysis 18, 2006, No. 13-14, 1416 - 1421.

I. V. Pletnev, S. V. Smirnova, K. S. Khachatryan, and V. V. Zernov. Application of ionic liquids in liquid-liquid extraction (a review; in Russian). Journal of Russian Chemical Society, 2004, v. 58, N6, 51-58.

N. V. Shvedene, S. V. Borovskaya, V. V. Sviridov, E. R. Ismailova, I. V. Pletnev. Measurement of Ionic Liquid Solubility in Water with Ion-Selective Electrodes. Anal. Bioanal. Chem., 2005, v. 381, pp. 427-430.
(Abstract)

K. S. Khachatryan, S. V. Smirnova, I. I. Torocheshnikova, N. V. Shvedene, A.A. Formanovsky, I. V. Pletnev. Solvent extraction and extraction-voltammetric determination of phenols using room temperature ionic liquid. Anal. Bioanal. Chem., 2005, v. 381, pp. 464-470.
(Abstract)

S. V. Smirnova, I. I. Torocheshnikova, A. A. Formanovsky, I. V. Pletnev. Solvent extraction of amino acids into room-temperature ionic liquid with dicyclohexano-18-crown-6. Anal. Bioanal. Chem., 2004, v. 378, pp. 1369-1375.
(Abstract)

N.V. Shvedene, M.Yu. Nemilova, K.S. Khachatryan, N.A. Mamonov, A.V. Shukhaev, A.A.Formanovsky, I.V. Pletnev EXTRACTION-VOLTAMMETRIC DETERMINATION OF CATECHOLAMINES USING A NOVEL CLASS OF SOLVENTS:IONIC LIQUIDS Proc. Moscow Univ. Ser. Chem., 2004, v.45, pp.324-332.

V. V. Zernov, K. V. Balakin, A. A. Ivaschenko, N. P. Savchuk, and I. V. Pletnev. Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions. J. Chem. Inf. Comput. Sci., 2003, 43(6).
(Abstract)

M.B. Darkhovskii, I.V. Pletnev, and A.L. Tchougreeff. Low- and high-spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics. J. Comp. Chem., 2003, 24(14), 1703-1719.
(Abstract)

I. V. Pletnev, A.A. Formanovsky, S. V. Smirnova, I. I. Torocheshnikova, K. S. Khachatrya, N. V. Shvedene, M. Yu. Nemilova. Ionic liquids -- new solvents for extraction and analysis. Zh. analit. khim. (Russ. J. Analyt. Chem.), 2003, 58(7), 710.

L. P. Berdnikova, N. V. Shvedene and I. V. Pletnev. Hydroxamic acids and their in situ formed complexes as the active component of membrane ion-selective electrodes. Koord. khim. (Russ. J. Coord. Chem.), 2002, 28(11), 816-821.
(Abstract)

N. V. Shvedene, I. A. Nazarova, A. A. Formanovsky, D. S. Otkidach and I. V. Pletnev. 3-(4-Tolylazo)phenylboronic acid as the active component of polyhydroxy compounds-selective electrodes. Electrochemistry Communications, 4 (2002), 978-984.
(Abstract)

Darhovskii M.B., Razumov M.G., Pletnev I.V. and Tchougreeff A.L. Hybrid molecular mechanics: effective crystal field method for modeling potential energy surfaces of transition metal complexes. Int. J. Quantum Chem. 2002, v.88, N5, 588-605.
(First page/Abstract in PDF format)

Pletnev I.V., Zernov V.V. Classification of metal ions according to their complexing properties: a data-driven approach. Analytica Chimica Acta, 2002, v. 455, pp. 131-142.
(full article in PDF format).

Yu. N. Blikova, N. V. Shvedene, I. V. Pletnev. Binuclear Copper(II) Phthalocyanate as Active Component in Membrane Anion-Selective Electrodes. Zh. Analit. Khim. (Russ. J. Analyt.Chem.), 2002, v.57, N10, 1110-1115 (in Russian).

N. N. Leyzerovich, N. V. Shvedene, Yu. N. Blikova, L. G. Tomilova, I. V. Pletnev. Comparative Study of the Metal Phthalocyanates as Active Components in Salicylate-Selective Electrodes. Electroanalysis 2001, v. 13, N3, 246-252.

M. G. Razumov, V. L. Melnikov and I. V. Pletnev. Molecular Mechanics Calculations of beta-Diketonate, Aqua, And Aqua- beta-Diketonate Complexes of Lanthanide Ions Using Gillespie-Kepert Model. J. Comput. Chem., 2001, v. 22, N1, 38-50.

- related poster was presented at the Symposium "Applications of Molecular Mechanics to Metal Complexes" Amer. Chem. Soc. Spring 2000 National Meeting, March 26-30, 2000 San-Francisco.

D.S. Otkidach, I.V. Pletnev. Conformational Analysis of Boron-Containing Compounds Using Gillespie-Kepert Version of Molecular Mechanics. J. Mol. Struct. Theochem, 2001, v. 536, N1, p. 65-72.

Nazarova I.A., Starushko N.V., Otkidach K.N., Shvedene N.V., Formanovskii A.A., Pletnev I.V. Using hydrophobic derivatives of boronic acid for ionometric determination of polyhydroxycompounds. Vestnik MGU Ser.2. Khimiya (Moscow University Chemistry Bulletin), 2001, . 42, 1, pp. 33-37 (in Russian).

Smirnova S.V., Torocheshnikova I.I., Pletnev I.V. Extraction of Amino Acids with Dinonylnaphthalenesulfonic Acid in the Presence of Dicyclohexyl-18-Crown-6. Vestnik MGU Ser.2. Khimiya (Moscow University Chemistry Bulletin), 2000, v. 41, 3, pp. 186-188 (in Russian).

Shvedene N.V., Leizerovich N.N., Rybakova M.M., Kostalyndina E.V., Koval Ya.N., Pletnev I.V. Aluminium (III) Phthalocyanate As an Active Component of Salicylate -Selective Membrane Electrode. Vestnik MGU Ser.2. Khimiya (Moscow University Chemistry Bulletin), 2000, v. 41, 1, pp. 34-36 (in Russian).

Pletnev I. V., Shvedene N. V., Lyutikova I. V., Nazarova I. A., Litvak I. M., Mikhura I. V., Zolotov Yu. A. Arylboronic compounds - novel carriers for catecholamine selective membrane electrodes. Fres. J Analyt. Chem. 1999, v. 364, N8, pp. 682-685

Shvedene N.V., Berdnikova L.P., Bakhmutova E.V., Nemilova M. Yu., Blikova Yu.N., Toropchenova E.S, Baulin V.V. Pletnev I.V. Membrane electrodes based on phosphoryl podands having anonogenic groups for amines and related compounds. Vestnik MGU Ser.2. Khimiya (Moscow University Chemistry Bulletin), 1999, v. 40, 4, pp. 237-240 (in Russian).

Lyutikova, I.V., Pletnev, I.V., Matveeva, I.G., and Torocheshnikova, I.I. Transport of carbohydrates acros bulk liquid membrane with substituted calix[8]arenes and phosphoryl-containing podand. Bull. Russ. Acad. Sci., Ser. Chem., 1998, 1, pp. 175-176 (in Russian).

Shvedene, N.V.; Shishkanova, T.V.; Torocheshnikova, I.I.; Nazarova, I.A.; Baulin, V.E.; Zolotov, Yu.A.; Pletnev, I.V. Phosphoryl containing podands as carriers in plasticized membrane electrodes selective to quarternary ammonium surfactants. Journal of Inclusion Phenomena and Molecular Recognition in Chemistry, 1998, v. 32, 9-21.

Shvedene N.V., Belchenko N.N., Starushko N.V., Baulin V.E., and Pletnev, I.V. Liquid membrane electrodes based on aza compounds for the determination of organic aniones. Vestnik MGU Ser.2. Khimiya (Moscow University Chemistry Bulletin), 1998, v. 39, 6, pp. 383-389 (in Russian).

Pletnev, I.V.; Melnikov, V.L. Molecular mechanics application to coordination compounds: the force field based on Gillespie-Kepert model. Koord. Khimiya (Russ. J. Coord. Chem.) 1997, v.23, 205- 213 (in Russian).

Melnikov, V.L.; Pletnev, I.V. Molecular mechanics study of the amine- and pyridyl-containing complexes of zinc(II) and cadmium(II): the force field based on Gillespie-Kepert model. Bull. Russ. Acad. Sci., Ser. Chem., 1997, 7, pp. 2185-1283 (in Russian).


Pletnev, I.V. Complexation and Selectivity. In: Macrocyclic Compounds in Analytical Chemistry. Ed. by Yu. A. Zolotov. Chemical analysis; v. 143. Wiley-Interscience: New York. 1997. Chapter 2, 41-62.

Pletnev, I.V.; Torocheshnikova, I.I. Separation and Determination of Organic Compounds. Macrocyclic Compounds in Analytical Chemistry. Ed. by Yu. A. Zolotov. Chemical analysis; v. 143. Wiley-Interscience: New York. 1997, Chapter 6, 359-404.

Pletnev, I.V.; Zolotov, Yu. A.Host-Guest Complexation as a Tool in Extraction and Membrane Transport of (Bio)organic Compounds. In: Ion Exchange and Solvent Extraction. Marcel Dekker. N.Y.:L.:Hong Kong.Ed. by Marinsky, J.; Marcus, Y. Vol.13. 1997, Chapter 3, 95-139.

Shvedene N. V., Nemilova M. Yu., Kochulina O. V., Pronina I.A.,and Pletnev I. V. Neutral carriers based PVC plasticized ion selective electrodes for the determination of novocaine. Vestnik MGU Ser.2. Khimiya (Proc. Moscow Univ., Ser. 2. Chemistry), 1997, v.38, N2, 99-103 (in Russian).

Shvedene, N.V.; Shishkanova, T.V.; Pletnev, I.V.; Belchenko, N.V., Kovalev, V.V.; Shokova, E.A. Surfactant ion-selective membrane electrodes. Anal. Lett.,1996, v.29, N6, 843-858.

Some old papers

Pletnev, I. V. Metal ion complexes of 1,4,7-triazacyclononane and its aminoalkyl derivatives. Analysis of chelate rings fusion and molecular mechanics study. Can.J.Chem., 1994, v. 72, N5, pp. 1404-1411. ( DJVU format)

I. V. Pletnev, Yu. A. Zolotov. Molecular design of polydentate reagents with known stereochemistry of complexation. Fres. Z. Anal.Chem., 1988. V.331, 245-247. ( DJVU format)