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Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis.

Physical chemistry chemical physics : PCCP

Marekha BA, Kalugin ON, Idrissi A.
PMID: 26059822
Phys Chem Chem Phys. 2015 Jul 14;17(26):16846-57. doi: 10.1039/c5cp02197a.

Ionic liquids (ILs) being composed of bulky multiatomic ions reveal a plethora of non-covalent interactions which determine their microscopic structure. In order to establish the main peculiarities of these interactions in an IL-environment, we have performed quantum chemical calculations...

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Marekha BA, Kalugin ON, Idrissi A. Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis. Phys Chem Chem Phys. 2015;17(26):16846-57doi: 10.1039/c5cp02197a.
Marekha, B. A., Kalugin, O. N., & Idrissi, A. (2015). Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis. Physical chemistry chemical physics : PCCP, 17(26), 16846-57. https://doi.org/10.1039/c5cp02197a
Marekha, Bogdan A, et al. "Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis." Physical chemistry chemical physics : PCCP vol. 17,26 (2015): 16846-57. doi: https://doi.org/10.1039/c5cp02197a
Marekha BA, Kalugin ON, Idrissi A. Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis. Phys Chem Chem Phys. 2015 Jul 14;17(26):16846-57. doi: 10.1039/c5cp02197a. PMID: 26059822.
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Experimental tests of a 263 GHz gyrotron for spectroscopic applications and diagnostics of various media.

The Review of scientific instruments

Glyavin MY, Chirkov AV, Denisov GG, Fokin AP, Kholoptsev VV, Kuftin AN, Luchinin AG, Golubyatnikov GY, Malygin VI, Morozkin MV, Manuilov VN, Proyavin MD, Sedov AS, Sokolov EV, Tai EM, Tsvetkov AI, Zapevalov VE.
PMID: 26026544
Rev Sci Instrum. 2015 May;86(5):054705. doi: 10.1063/1.4921322.

A 263 GHz continuous-wave (CW) gyrotron was developed at the IAP RAS for future applications as a microwave power source in Dynamic Nuclear Polarization / Nuclear magnetic resonance (DNP/NMR) spectrometers. A new experimental facility with a computerized control was...

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Glyavin MY, Chirkov AV, Denisov GG, et al. Experimental tests of a 263 GHz gyrotron for spectroscopic applications and diagnostics of various media. Rev Sci Instrum. 2015;86(5):054705doi: 10.1063/1.4921322.
Glyavin, M. Y., Chirkov, A. V., Denisov, G. G., Fokin, A. P., Kholoptsev, V. V., Kuftin, A. N., Luchinin, A. G., Golubyatnikov, G. Y., Malygin, V. I., Morozkin, M. V., Manuilov, V. N., Proyavin, M. D., Sedov, A. S., Sokolov, E. V., Tai, E. M., Tsvetkov, A. I., & Zapevalov, V. E. (2015). Experimental tests of a 263 GHz gyrotron for spectroscopic applications and diagnostics of various media. The Review of scientific instruments, 86(5), 054705. https://doi.org/10.1063/1.4921322
Glyavin, M Yu, et al. "Experimental tests of a 263 GHz gyrotron for spectroscopic applications and diagnostics of various media." The Review of scientific instruments vol. 86,5 (2015): 054705. doi: https://doi.org/10.1063/1.4921322
Glyavin MY, Chirkov AV, Denisov GG, Fokin AP, Kholoptsev VV, Kuftin AN, Luchinin AG, Golubyatnikov GY, Malygin VI, Morozkin MV, Manuilov VN, Proyavin MD, Sedov AS, Sokolov EV, Tai EM, Tsvetkov AI, Zapevalov VE. Experimental tests of a 263 GHz gyrotron for spectroscopic applications and diagnostics of various media. Rev Sci Instrum. 2015 May;86(5):054705. doi: 10.1063/1.4921322. PMID: 26026544.
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Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts.

Physical chemistry chemical physics : PCCP

Marekha BA, Kalugin ON, Bria M, Idrissi A.
PMID: 26278514
Phys Chem Chem Phys. 2015 Sep 21;17(35):23183-94. doi: 10.1039/c5cp02748a.

Mixtures of ionic liquids (ILs) with polar aprotic solvents in different combinations and under different conditions (concentration, temperature etc.) are used widely in electrochemistry. However, little is known about the key intermolecular interactions in such mixtures depending on the...

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Marekha BA, Kalugin ON, Bria M, et al. Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts. Phys Chem Chem Phys. 2015;17(35):23183-94doi: 10.1039/c5cp02748a.
Marekha, B. A., Kalugin, O. N., Bria, M., & Idrissi, A. (2015). Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts. Physical chemistry chemical physics : PCCP, 17(35), 23183-94. https://doi.org/10.1039/c5cp02748a
Marekha, Bogdan A, et al. "Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts." Physical chemistry chemical physics : PCCP vol. 17,35 (2015): 23183-94. doi: https://doi.org/10.1039/c5cp02748a
Marekha BA, Kalugin ON, Bria M, Idrissi A. Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts. Phys Chem Chem Phys. 2015 Sep 21;17(35):23183-94. doi: 10.1039/c5cp02748a. PMID: 26278514.
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Efficient generation of short terahertz pulses via stimulated Raman adiabatic passage.

Optics letters

Kalugin NG, Rostovtsev YV.
PMID: 16599227
Opt Lett. 2006 Apr 01;31(7):969-71. doi: 10.1364/ol.31.000969.

We have analyzed the efficiency of coherent scattering of infrared radiation in molecular gases for the production of intense, short terahertz (THz) pulses by using stimulated Raman adiabatic passage for the preparation of coherence. We show that coherently driven...

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Kalugin NG, Rostovtsev YV. Efficient generation of short terahertz pulses via stimulated Raman adiabatic passage. Opt Lett. 2006;31(7):969-71doi: 10.1364/ol.31.000969.
Kalugin, N. G., & Rostovtsev, Y. V. (2006). Efficient generation of short terahertz pulses via stimulated Raman adiabatic passage. Optics letters, 31(7), 969-71. https://doi.org/10.1364/ol.31.000969
Kalugin, Nikolai G, and Rostovtsev, Yuri V. "Efficient generation of short terahertz pulses via stimulated Raman adiabatic passage." Optics letters vol. 31,7 (2006): 969-71. doi: https://doi.org/10.1364/ol.31.000969
Kalugin NG, Rostovtsev YV. Efficient generation of short terahertz pulses via stimulated Raman adiabatic passage. Opt Lett. 2006 Apr 01;31(7):969-71. doi: 10.1364/ol.31.000969. PMID: 16599227.
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Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics study.

The journal of physical chemistry. B

Nelson TR, Chaban VV, Kalugin ON, Prezhdo OV.
PMID: 20230009
J Phys Chem B. 2010 Apr 08;114(13):4609-14. doi: 10.1021/jp912233e.

The rates and magnitudes of vibrational energy transfer between single-wall carbon nanotubes (CNTs) and water are investigated by classical molecular dynamics. The interactions between the CNT and solvent confined inside of the tube, the CNT and solvent surrounding the...

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Nelson TR, Chaban VV, Kalugin ON, et al. Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics study. J Phys Chem B. 2010;114(13):4609-14doi: 10.1021/jp912233e.
Nelson, T. R., Chaban, V. V., Kalugin, O. N., & Prezhdo, O. V. (2010). Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics study. The journal of physical chemistry. B, 114(13), 4609-14. https://doi.org/10.1021/jp912233e
Nelson, Tammie R, et al. "Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics study." The journal of physical chemistry. B vol. 114,13 (2010): 4609-14. doi: https://doi.org/10.1021/jp912233e
Nelson TR, Chaban VV, Kalugin ON, Prezhdo OV. Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics study. J Phys Chem B. 2010 Apr 08;114(13):4609-14. doi: 10.1021/jp912233e. PMID: 20230009.
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Robust minimal matching rules for quasicrystals.

Acta crystallographica. Section A, Foundations and advances

Kalugin P, Katz A.
PMID: 31475913
Acta Crystallogr A Found Adv. 2019 Sep 01;75:669-693. doi: 10.1107/S2053273319008180. Epub 2019 Aug 23.

A unified framework is proposed for dealing with matching rules of quasiperiodic patterns, relevant for both tiling models and real-world quasicrystals. The approach is intended for extraction and validation of a minimal set of matching rules, directly from the...

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Kalugin P, Katz A. Robust minimal matching rules for quasicrystals. Acta Crystallogr A Found Adv. 2019;75:669-693doi: 10.1107/S2053273319008180.
Kalugin, P., & Katz, A. (2019). Robust minimal matching rules for quasicrystals. Acta crystallographica. Section A, Foundations and advances, 75669-693. https://doi.org/10.1107/S2053273319008180
Kalugin, Pavel, and Katz, André. "Robust minimal matching rules for quasicrystals." Acta crystallographica. Section A, Foundations and advances vol. 75 (2019): 669-693. doi: https://doi.org/10.1107/S2053273319008180
Kalugin P, Katz A. Robust minimal matching rules for quasicrystals. Acta Crystallogr A Found Adv. 2019 Sep 01;75:669-693. doi: 10.1107/S2053273319008180. Epub 2019 Aug 23. PMID: 31475913.
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Covalent Epitope Decoration of Carbon Electrodes using Solid Phase Peptide Synthesis.

Scientific reports

Candelaria L, Kalugin PN, Kowalski BM, Kalugin NG.
PMID: 31780767
Sci Rep. 2019 Nov 28;9(1):17805. doi: 10.1038/s41598-019-54000-9.

Long-term, minimally perturbative brain electrophysiology requires electrodes to seamlessly integrate into surrounding tissue. In this work, we demonstrate electrodes composed of covalently functionalized graphite, decorated with various functional affinity and epitope tags, and use them to detect changes in...

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Candelaria L, Kalugin PN, Kowalski BM, et al. Covalent Epitope Decoration of Carbon Electrodes using Solid Phase Peptide Synthesis. Sci Rep. 2019;9(1):17805doi: 10.1038/s41598-019-54000-9.
Candelaria, L., Kalugin, P. N., Kowalski, B. M., & Kalugin, N. G. (2019). Covalent Epitope Decoration of Carbon Electrodes using Solid Phase Peptide Synthesis. Scientific reports, 9(1), 17805. https://doi.org/10.1038/s41598-019-54000-9
Candelaria, Lindsay, et al. "Covalent Epitope Decoration of Carbon Electrodes using Solid Phase Peptide Synthesis." Scientific reports vol. 9,1 (2019): 17805. doi: https://doi.org/10.1038/s41598-019-54000-9
Candelaria L, Kalugin PN, Kowalski BM, Kalugin NG. Covalent Epitope Decoration of Carbon Electrodes using Solid Phase Peptide Synthesis. Sci Rep. 2019 Nov 28;9(1):17805. doi: 10.1038/s41598-019-54000-9. PMID: 31780767; PMCID: PMC6882871.
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Triterpene Glycosides from the Far Eastern Sea Cucumber .

Marine drugs

Silchenko AS, Kalinovsky AI, Avilov SA, Andrijaschenko PV, Popov RS, Chingizova EA, Kalinin VI, Dmitrenok PS.
PMID: 34940695
Mar Drugs. 2021 Dec 07;19(12). doi: 10.3390/md19120696.

Four new triterpene disulfated glycosides, chitonoidosides E

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Silchenko AS, Kalinovsky AI, Avilov SA, et al. Triterpene Glycosides from the Far Eastern Sea Cucumber . Mar Drugs. 2021;19(12)doi: 10.3390/md19120696.
Silchenko, A. S., Kalinovsky, A. I., Avilov, S. A., Andrijaschenko, P. V., Popov, R. S., Chingizova, E. A., Kalinin, V. I., & Dmitrenok, P. S. (2021). Triterpene Glycosides from the Far Eastern Sea Cucumber . Marine drugs, 19(12), . https://doi.org/10.3390/md19120696
Silchenko, Alexandra S, et al. "Triterpene Glycosides from the Far Eastern Sea Cucumber ." Marine drugs vol. 19,12 (2021). doi: https://doi.org/10.3390/md19120696
Silchenko AS, Kalinovsky AI, Avilov SA, Andrijaschenko PV, Popov RS, Chingizova EA, Kalinin VI, Dmitrenok PS. Triterpene Glycosides from the Far Eastern Sea Cucumber . Mar Drugs. 2021 Dec 07;19(12). doi: 10.3390/md19120696. PMID: 34940695.
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Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids.

The journal of physical chemistry. B

Koverga V, Maity N, Miannay FA, Kalugin ON, Juhasz A, Świątek A, Polok K, Takamuku T, Jedlovszky P, Idrissi A.
PMID: 33151074
J Phys Chem B. 2020 Nov 19;124(46):10419-10434. doi: 10.1021/acs.jpcb.0c07398. Epub 2020 Nov 05.

The inhomogeneity distribution in four imidazolium-based ionic liquids (ILs) containing the 1-butyl-3-methylimidazolium (C

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Koverga V, Maity N, Miannay FA, et al. Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids. J Phys Chem B. 2020;124(46):10419-10434doi: 10.1021/acs.jpcb.0c07398.
Koverga, V., Maity, N., Miannay, F. A., Kalugin, O. N., Juhasz, A., Świątek, A., Polok, K., Takamuku, T., Jedlovszky, P., & Idrissi, A. (2020). Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids. The journal of physical chemistry. B, 124(46), 10419-10434. https://doi.org/10.1021/acs.jpcb.0c07398
Koverga, Volodymyr, et al. "Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids." The journal of physical chemistry. B vol. 124,46 (2020): 10419-10434. doi: https://doi.org/10.1021/acs.jpcb.0c07398
Koverga V, Maity N, Miannay FA, Kalugin ON, Juhasz A, Świątek A, Polok K, Takamuku T, Jedlovszky P, Idrissi A. Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids. J Phys Chem B. 2020 Nov 19;124(46):10419-10434. doi: 10.1021/acs.jpcb.0c07398. Epub 2020 Nov 05. PMID: 33151074.
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A new phasing method based on the principle of minimum charge.

Acta crystallographica. Section A, Foundations of crystallography

Kalugin P.
PMID: 11679700
Acta Crystallogr A. 2001 Nov;57:690-9. doi: 10.1107/s0108767301013186. Epub 2001 Oct 26.

A new method for phase determination in X-ray crystallography is proposed. The method is based on the so-called 'minimum-charge' principle, recently suggested by Elser [Acta Cryst. (1999), A55, 489-499]. The electron-density function rho is sought in the form rho(x)...

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Kalugin P. A new phasing method based on the principle of minimum charge. Acta Crystallogr A. 2001;57:690-9doi: 10.1107/s0108767301013186.
Kalugin, P. (2001). A new phasing method based on the principle of minimum charge. Acta crystallographica. Section A, Foundations of crystallography, 57690-9. https://doi.org/10.1107/s0108767301013186
Kalugin, P. "A new phasing method based on the principle of minimum charge." Acta crystallographica. Section A, Foundations of crystallography vol. 57 (2001): 690-9. doi: https://doi.org/10.1107/s0108767301013186
Kalugin P. A new phasing method based on the principle of minimum charge. Acta Crystallogr A. 2001 Nov;57:690-9. doi: 10.1107/s0108767301013186. Epub 2001 Oct 26. PMID: 11679700.
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Data on compressibility of NBR samples with various cross-linking degree and zinc oxide content immersed in gasoline and oil.

Data in brief

Karzov I, Nashchokin A, Tikhonov N, Kalugin D, Malakho A.
PMID: 32382591
Data Brief. 2020 Apr 21;30:105470. doi: 10.1016/j.dib.2020.105470. eCollection 2020 Jun.

NBR materials are widely used in oil refining, automotive industry and aviation due to the high tensile strength and elasticity, resistance to dilute acids. During operation with oils and fuels NBR materials undergo aging, which results in deterioration of...

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Karzov I, Nashchokin A, Tikhonov N, et al. Data on compressibility of NBR samples with various cross-linking degree and zinc oxide content immersed in gasoline and oil. Data Brief. 2020;30:105470doi: 10.1016/j.dib.2020.105470.
Karzov, I., Nashchokin, A., Tikhonov, N., Kalugin, D., & Malakho, A. (2020). Data on compressibility of NBR samples with various cross-linking degree and zinc oxide content immersed in gasoline and oil. Data in brief, 30105470. https://doi.org/10.1016/j.dib.2020.105470
Karzov, Ilya, et al. "Data on compressibility of NBR samples with various cross-linking degree and zinc oxide content immersed in gasoline and oil." Data in brief vol. 30 (2020): 105470. doi: https://doi.org/10.1016/j.dib.2020.105470
Karzov I, Nashchokin A, Tikhonov N, Kalugin D, Malakho A. Data on compressibility of NBR samples with various cross-linking degree and zinc oxide content immersed in gasoline and oil. Data Brief. 2020 Apr 21;30:105470. doi: 10.1016/j.dib.2020.105470. eCollection 2020 Jun. PMID: 32382591; PMCID: PMC7200212.
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Crystal structure of tris-[bis-(2,6-diiso-propyl-phen-yl) phosphato-κ.

Acta crystallographica. Section E, Crystallographic communications

Kalugin AE, Lyssenko KA, Minyaev ME, Roitershtein DM, Puntus LN, Varaksina EA, Nifant'ev IE.
PMID: 31871753
Acta Crystallogr E Crystallogr Commun. 2019 Nov 19;75:1892-1896. doi: 10.1107/S2056989019015421. eCollection 2019 Dec 01.

The mononuclear title complex, [Eu(C

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Kalugin AE, Lyssenko KA, Minyaev ME, et al. Crystal structure of tris-[bis-(2,6-diiso-propyl-phen-yl) phosphato-κ. Acta Crystallogr E Crystallogr Commun. 2019;75:1892-1896doi: 10.1107/S2056989019015421.
Kalugin, A. E., Lyssenko, K. A., Minyaev, M. E., Roitershtein, D. M., Puntus, L. N., Varaksina, E. A., & Nifant'ev, I. E. (2019). Crystal structure of tris-[bis-(2,6-diiso-propyl-phen-yl) phosphato-κ. Acta crystallographica. Section E, Crystallographic communications, 751892-1896. https://doi.org/10.1107/S2056989019015421
Kalugin, Alexey E, et al. "Crystal structure of tris-[bis-(2,6-diiso-propyl-phen-yl) phosphato-κ." Acta crystallographica. Section E, Crystallographic communications vol. 75 (2019): 1892-1896. doi: https://doi.org/10.1107/S2056989019015421
Kalugin AE, Lyssenko KA, Minyaev ME, Roitershtein DM, Puntus LN, Varaksina EA, Nifant'ev IE. Crystal structure of tris-[bis-(2,6-diiso-propyl-phen-yl) phosphato-κ. Acta Crystallogr E Crystallogr Commun. 2019 Nov 19;75:1892-1896. doi: 10.1107/S2056989019015421. eCollection 2019 Dec 01. PMID: 31871753; PMCID: PMC6895930.
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Showing 1 to 12 of 45 entries