Publications

2017
66 Rainer Lippert, Tatyana E. Shubina, Sandra Vojnovic, Aleksandar Pavic, Jovana Veselinovic, Jasmina Nikodinovic-Runic, Nada Stankovic, Ivana Ivanović-Burmazović J. Inorg. Biochem. (2017), In the press; Redox behavior and biological properties of ferrocene bearing porphyrins; link
2016
65 Tobias A. Schaub, Eva M. Zolnhofer, Dominik P. Halter, Tatyana E. Shubina, Frank Hampel, Karsten Meyer, and Milan Kivala Angew. Chem. Int. Ed (2016), 55, 13597 –13601; A stable crystalline triarylphosphine oxide radical anion; link
64 Christine Höhn, Walter Bauer, Frank W. Heinemann, Sergi Huguet Torrell, Irene C. Keller, Lars Rohwer, Tatyana E. Shubina and Ulrich Zenneck Eur. J. Inorg. Chem. (2016) 691-699; Optically Active P5-Deltacyclenes: A Unique Cage-Inversion Reaction and Some Transition-Metal Complexes of the Rearranged Cage.; link
2015
63 Rudolf Wedmann, Achim Zahl, Tatyana E. Shubina, Maximilian Dürr, Frank W. Heinemann, Bernhard Eberhard Christian Bugenhagen, Peter Burger, Ivana Ivanovic-Burmazovic, and Milos R. Filipovic Inorg. Chem. 54 (2015) 9367–9380; Does Perthionitrite (SSNO–) Account for Sustained Bioactivity of NO? A (Bio)chemical Characterization.; Forum Article link
62 Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana; Dürr,Maximilian; Liu, Jeffrey; Siegler, Maxime; Ivanović-Burmazović, Ivana; Karlin, Kenneth J. Am. Chem. Soc 137 (2015) 6602–6615; Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-FeIII–O–CuII(L) Constructs; link
61 Harald Lanig, Christof M. Jäger, Tatyana Shubina Journal of Molecular Modeling 21 (2015) ; A topical collection on the occasion of Tim Clark’s 65th birthday; Editorial link
60 Hammer, Natalie; Shubina, Tatyana; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Mila J. Org. Chem. 80 (2015) 2418–2424; Synthesis and Properties of Arylvinylidene-Bridged Triphenylamine; link
2014
59 Gaidai, A.; Onishchenko, E.; Shubina, T.; Levandovskiy, I Russian Journal of Organic Chemistry 50 (2014) 1840; Alternative synthesis of D-trishomocubane analogs of rimantadine and adapromine.; link
58 Fritsch, Nico; Wick, Christian; Waidmann, Thomas; Dral, Pavlo; Tucher, Johannes; Heinemann, Frank; Shubina, Tatyana; Clark, Timothy; Burzlaff, Nicolai Inorg. Chem. 53 (2014) 12305–12314; Multiply bonded metal(II) acetate (Rh, Ru, Mo) complexes with the trans-1,2-bis(N-methylimidazol-2-yl)ethylene ligand; link
57 Oliver Troeppner, Rainer Lippert, Tatyana E. Shubina, Achim Zahl, Norbert Jux, Ivana Ivanović-Burmazović Angew. Chem. Int. Ed. 53 (2014) 11452 –11457; Reverse Spin-Crossover and High-Pressure Kinetics of the Heme Iron Center Relevant for the Operation of Heme Proteins under Deep-Sea Conditions; link
56 Sebastian Feihl, Rubén D. Costa, Wolfgang Brenner, Johannes T. Margraf,Rubén Casillas, Oliver Langmar, Anne Browa, Tatyana E. Shubina, Timothy Clark, Norbert Jux, and Dirk M. Guldi Chem. Comm. 50 (2014) 11339-11342; Integrating metalloporphycenes into p-type NiO-based dye-sensitized solar cells; link
55 Tatyana E. Shubina, Dmitry I. Sharapa, Christina Schubert, Dirk Zahn, Marcus Halik, Paul A. Keller, Stephen G. Pyne, Sreenu Jennepalli, Dirk M. Guldi, and Timothy Clark J. Am. Chem. Soc. 136 (31) (2014) 10890–10893; Fullerene van der Waals Oligomers as Electron Traps; link
54 L. Rohwer, C. Höhn, J. Autschbach, W. Bauer,F. W. Heinemann, S. H. Torrell, I. Keller,T. E. Shubina, J. Steffen, U. Zenneck Chemistry – A European Journal 20 (2014) 5708–5720; Optically Active Tetra-tert-butyl-P5-deltacyclene Epimers: Preparation, Spectroscopy, Dynamic Equilibriums, H-D Exchange, and Transition Metal Complex Chemistry; link
2013
53 Yemets, S.V., Shubina, T.E., Krasutsky, P.A. Organic and Biomolecular Chemistry 11 (17) (2013) 2891-2897 ; Electrophilic monoiodination of terminal alkenes; link
2012
52 Dmitry I. Sharapa, Igor A. Levandovskiy, Tatyana E. Shubina Cur. Org. Chem. 16 (2012) 2640-2668 ; Axial D3-trishomocubane derivatives with potential: dreams or reality?; link
51 Tatyana E. Shubina, Matthias Freund, Sebastian Schenker, Timothy Clark, Svetlana B. Tsogoeva Beilstein J. Org. Chem. 8 (2012) 1485-1498; Synthesis and Evaluation of new Guanidine-Thiourea Organocatalyst for the nitro-Michael Reaction: Theoretical Studies on Mechanism and Enantioselectivity; link
50 Milos R. Filipovic, Jan Miljkovic, Thomas Nauser, Maksim Royzen, Katharina Klos, Tatyana E. Shubina, Willem Hendrik Koppenol, Stephen J. Lippard, and Ivana Ivanovic-Burmazovic JACS 134 (2012) 12016-12027; Chemical Characterization of the Smallest S-nitrosothiol, HSNO; Cellular Cross-talk of H2S and S-nitrosothiols ; link
49 Yang Li, Jie Xiao, Tatyana E. Shubina, Min Chen, Ziliang Shi, Martin Schmid, Hans-Peter Steinrück, J. Michael Gottfried, Nian Lin JACS 134 (14) (2012) 6401–6408; Coordination and Metalation Bifunctionality of Cu with 5,10,15,20-tetra(4-pyridyl)porphyrin: A Scanning Tunneling Microscopy and X-ray Photoelectron Spectroscopy Study; link
48 A.V. Gaidai, D.M. Volochnyuk, O.V. Shishkin, A.A. Fokin, I.A. Levandovskiy, T.E. Shubina Synthesis 44 (5) (2012) 810; D3-Trishomocubane-4-carboxylic Acid as a New Chiral Building Block: Synthesis and Absolute Configuration; link
47 M.R. Filipovic, J. Miljkovic, R. Chaurio, T. Shubina, M. Herrmann, I. Ivanovic-Burmazovic Biochemical Journal 441 (2012) 609-621; Chemical insight into physiological effects of H2S: reaction with peroxynitrite and formation of a new Nitric Oxide donor, sulfinyl nitrite; link
2011
46 P.O. Dral, T.E. Shubina, A. Hirsch, T. Clark ChemPhysChem 12 (2011) 2581-2589; Influence of Electron Doping on the Hydrogenation of Fullerene C60: A Theoretical Investigation; link
45 T.E. Shubina, A.A. Fokin Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5) (2011) 661-679; Hydrocarbon Radical Cations in the Gas Phase and in Solution; link
44 D.I. Sharapa, A.V. Gayday, A.G. Mitlenko, I.A. Levandovskiy, T.E. Shubina Eur. J. Org. Chem 13 (2011) 2554-2561; Convenient Road to 1-chloropentacycloundecanes: A Joint Experimental and Computational Investigation; link
43 I.A. Levandovskiy, D.I. Sharapa, T.V. Shamota, V.N. Rodionov, T.E. Shubina Future Medicinal Chemistry 3(2) (2011) 223-241; Conformationally Restricted GABA Analogs: From Rigid to Cage Hydrocarbons; link
2010
42 T.E. Shubina Adv. Inorg. Chem. 62, Chapter 7 (2010) ISBN:9780123808745; Computational studies on properties, formation and complexation of M(II)-porphyrin; link
41 I.A. Levandovskiy, D.I. Sharapa, O.A. Cherenkova, A.V. Gaydai, T.E. Shubina Rus. Chem. Rev. in the press (2010) 1005-1026; Chemistry of D3-trishomocubanes; link
40 A.V. Gayday, I.A. Levandovskiy, T.E. Shubina Bulletin of University of Kyiv 3 (2010) 016-019; Mechanism of Influenza A M2 Ion-Channel Inhibition; link
39 A.V. Gaidai, O.A. Cherenkova, I.A. Levandovskii, T.E. Shubina Rus. J. Org. Chem 46 (2010) 769-771; Synthesis of new 4-derivatives of D3-trishomocubane; link
38 D.Lieb, A.Zahl, T.E. Shubina, I. Ivanovic-Burmazovic J. Am. Chem. Soc. 132 (2010) 7282-7284; Water Exchange on Manganese(III) Porphyrins. Mechanistic Insights Relevant for Oxygen Evolving Complex and Superoxide Dismutation Catalysis; link
37 T. E. Shubina and T. Clark. J. Coord. Chem. 63 (2010) 2854-2867; CO and NO complexes of Fe(II) and Co(II) porphyrins; link
36 T. E. Shubina and T. Clark. Zeitschrift für Naturforschung B 65b (2010) 347-356; Electron-Transfer Catalysis of the Norbornadiene to Quadricyclane Rearrangement; link
35 D.A. Sibgatulin, T.E. Shubina, A.N. Kostyuk, D.M. Volochnyuk, R. Schmutzler, P.G. Jonesd, A.M. Pinchuk Journal of Fluorine Chemistry 131 (2010) 190-199; Reaction of enamines with trifluoromethyl containing carbonyl reagents; link
34 I.A. Levandovskiy, T.E. Shubina,* A.A. Fokin J. Mol. Mod. 16 (3) (2010) 513-522; Computational and QSAR Study of the Alkylnaphthyl Ketones Adsorption on Silver-Ion Stationary Phase; link
2009
33 A.A. Fokin, P.A. Gunchenko, A.A. Novikovskiy, T.E. Shubina, B.V. Chernyaev, J.E.P. Dahl, R.M.K. Carlson, A.G. Yurchenko, P.R. Schreiner Eur. J. Org. Chem. 30 (2009) 5153-5161; Photoacetylation of Diamondoids: Selectivities and Mechanism. Functionalized Nanodiamonds, part 21; This work is featured: cover picture of the Eur. J. Org. Chem., 2009. Volume 11. link
32 I.A. Levandovskiy, A.V. Gayday, O.V. Cherenkova and T.E. Shubina (2009); UA patent N 87257, 25.06.2009
31 I.A. Levandovskiy, A.V. Gayday, O.V. Cherenkova and T.E. Shubina (2009); UA patent N 87258, 25.06.2009
30 I.A. Levandovskiy, A.V. Gayday, O.V. Cherenkova and T.E. Shubina (2009); UA patent N 89348, 10.09.2009
2008
29 D.A. Yalalov, S.B. Tsogoeva, T.E. Shubina, I.M. Martynova, T.Clark Angew. Chem. Int. Ed. 47 (2008) 6624-6628; Evidence for an Enol Mechanism in a Highly Enantioselective Mannich-type Reaction Catalyzed by Primary Amine-Thiourea.; link
28 A.V. Gaydai, I.A. Levandovskiy, K.G. Byler, T.E. Shubina* Lecture notes in Computer Science – Vol. 5102 (2008) 360-368; Mechanism of Influenza A M2 Ion-Channel Inhibition: a Docking and QSAR Study.; Eds.: Bubak, van Albada, Sloot, and Dongarra, Springer link
27 T.E. Shubina* and T. Clark* High Performance Computing in Science and Engineering, Garching/Munich 2007; Transactions of the Third Joint HLRB and KONWIHR Status and Result Workshop, Dec. 3-4, 2007, Leibniz Supercomputing Centre, Garching/Munich, Germany: S. Wagner, M. Steinmetz, A. Bode and M. Brehm, (Eds.), Springer, Heidelberg (2008) 201-214; Redox Catalysis and Reactivity of Metalloporphyrines.; link
2007
26 T.E. Shubina*, H. Marbach, K. Flechtner, A. Kretschmann, N. Jux, F. Buchner, H.-P. Steinrück, T. Clark*, J.M. Gottfried* JACS 129 (2007) 9476−9483; Principle and Mechanism of Direct Porphyrin Metalation: A Joint Experimental and Theoretical Investigation of an Unusual Reaction; link
2006
25 R.I. Yurchenko, I.S. Pogrebova, T.N. Pilipenko, T.E. Shubina Russian Journal of Applied Chemistry 79(7) (2006) 1969-1972; Corrosion-protective properties of 1-phenacylmethyl-2-arylcarbamido(arylthiocarbamido)pyridinium bromides; link
24 R.I. Yurchenko, I.S. Pogrebova, T.N. Pilipenko, T.E. Shubina Russian Journal of Applied Chemistry 79(7) (2006) 1100-1104; Anticorrosive properties of N-acetylmethylpyridinium bromides; link
23 F.Roncaroli, T.E. Shubina, T. Clark and R. van Eldik Inorganic Chemistry 45(19) (2006) 7869-7876; Nitrite impurities are responsible for the reaction observed between vitamin B12 and nitric oxide in acidic aqueous medium; link
22 I.A. Levandovskiy and T.E. Shubina (2006); UA patent N 19041, 15.11.2006
21 T.E. Shubina, M.T.M. Koper Electrochemistry Comminucations 8(5) (2006) 703-706; Co-adsorption of water and hydroxyl on a Pt2Ru surface; link
2005
20 G.L. Beltramo, T.E. Shubina, M.T.M. Koper ChemPhysChem 6(12) (2005) 2597-2606; Oxidation of formic acid and carbon monoxide on gold electrodes studied by surface-enhanced raman spectroscopy and DFT; This work is featured: cover picture of the ChemPhysChem, 2005, Volume 6, issue 12 link
19 V.N. Rodionov, B.V. Cheernyaev, I.A. Levandovskiy, T.E. Shubina, A.A. Fokin, A.G. Yurchenko Naukovi Visti – National Technical University of Ukraine “KPI” 3 (2005) 143-152; Experimental and quantum-chemical study on thermodynamics of methylnaphthalenes complexation with silver(I);
18 V.N. Rodionov, B.V. Cheernyaev, I.A. Levandovskiy, T.E. Shubina, A.A. Fokin, A.G. Yurchenko Naukovi Visti – National Technical University of Ukraine “KPI” 1 (2005) 107-115; Experimental and quantum-chemical study of the thermodynamics of complexation of methylbenzenes with silver(I) ion;
17 L.G. Reiter, S.A. Bobyr, T.E. Shubina, V.N. Rodionov Theoretical and Experimental Chemistry 41(1) (2005) 7-12; Kinetic and quantum-chemical study on fac-mer-іsomerization of cobalt(III) tris-aminoethylate; link
16 V.N. Rodionov, B.V. Cheernyaev, I.A. Levandovskiy, T.E. Shubina, A.A. Fokin, A.G. Yurchenko Theoretical and Experimental Chemistry 41(1) (2005) 1-6; Quantum-chemical interpretation of the reorientation of dialkyl-cis-9,10-dihydroanthracene-9,10-endofumarates ona silver-containing stationary phase; link
2004
15 A. Panchenko, M.T.M. Koper, T.E. Shubina, S. Mitchel, E. Roduner J. Electrochem. Soc 151(12) (2004) A2016-A2027; Ab initio calculations of oxygen and intermediate products of oxygen reduction adsorbed on low-index platinum surfaces; link
14 R.I. Yurchenko, I.S. Pogrebova, M.N. Pilipenko, T.E. Shubina Russian Journal of Applied Chemistry 77(7) (2004) 1117-1120; Corrosion-protective properties of N-Phenacylmethylpyridinium Bromides; link
13 T.E. Shubina*, C. Hartnig, M.T.M. Koper* Physical Chemistry Chemical Physics 6 (2004) 4215-4221; Density Functional Theory study of the oxidation of CO by OH on Au(110) and Pt(111) surfaces; link
12 R.V. Prihod’ko, E.J.M. Hensen, M.V. Sychev, I. Stolyarova, T.E. Shubina, I.A. Astrelin, R.A. van Santen Microporous and Mesoporous Materials 69(1-2) (2004) 49-63; Physicochemical and catalytic characterization of non-hydrothermally synthesized Mg-, Ni- and Mg-Ni-saponite-like materials; link
11 G. Beltramo, T.E. Shubina, S.J. Mitchell, M.T.M. Koper Journal of Electroanalytical Chemistry, 2004, 563, 111-120. 563 (2004) 111-120; Cyanide Adsorption on Gold Electrodes: a combined Surface Enhanced Raman Spectroscopy and Density Functional Theory Study; link
2003
10 T.E. Shubina*, I.A. Levandovskiy, V.N. Rodionov, B.V. Chernyaev, A.A. Fokin Internet Electronic Journal of Molecular Design (2003) 30; Experimental and DFT Study on Methylbenzenes-Silver(I) Ion Complexes Thermodynamics; link
9 B.A. Tkachenko, T.E. Shubina, D.V. Gusev, P.A. Gunchenko, A.G. Yurchenko, P.R. Schreiner, A.A. Fokin Theoretical and Experimental Chemistry 39(2) (2003) 82-87; The Mechanisms of C–H Activation with Chromium-oxo Reagents; link
2002
8 A.A. Fokin, B.A. Tkachenko, T.E. Shubina, P.A. Gunchenko, D.V. Gusev, J.K. Vohs, G.H. Robinson, A.G. Yurchenko and P.R. Schreiner European Journal of Chemistry (2002) 3844-3849; The Protoadamantane Radical Cation; link
7 T.E. Shubina, P.A. Gunchenko, T.S. Vigovskaya, P.R. Schreiner, A.G. Yurchenko, A.A. Fokin Theoretical and Experimental Chemistry 38(4) (2002) 229-236; [3.3.2]- and [3.3.3]Propellanes in Reactions with Oxidizing Electrophiles; link
6 T.E. Shubina, M.T.M. Koper Electrochimica Acta 47(22-23) (2002) 229-236; Quantum-chemical calculations of CO and OH interacting with bimetallic surfaces; link
5 T.E. Shubina, P.A. Gunchenko, A.G. Yurchenko, P.R. Schreiner, E.D. Butova, A.A. Fokin Theoretical and Experimental Chemistry 38(1) (2002) 8-14; Structure and transformations of 1-alkyladamantane radical-cations; link
4 A.A. Fokin, T.E. Shubina, P.A. Gunchenko, S.D. Isaev, A.G. Yurchenko, P.R. Schreiner J. Am. Chem.Soc. 124(36) (2002) 10718-10727; H-Coupled Electron Transfer in Alkane C–H Activations with Halogen Electrophiles; link
3 M.T.M. Koper, T.E. Shubina, R.A. van Santen Journal of Physical Chemistry B 106(3) (2002) 686-692; Periodic density functional study of CO and OH adsorption on Pt-Ru alloy surfaces. Implications for CO tolerant fuel cell catalysts; link
2000
2 M.V. Sychev, T.E. Shubina, M. Rozwadowski, A.P.B. Sommen, V.H. J. de Beer, R.A. van Santen Microporous and Mesoporous Materials 37(1-2) (2000) 187-200; Characterization of the microporosity of chromia- and titania-pillared montmorillonites differing in pillar density. I. Adsorption of nitrogen; link
1 A.A. Fokin, P.R. Schreiner, P.A. Gunchenko, S.A. Peleshanko, T.E. Shubina, S.D. Isaev, P.V. Tarasenko, N.I. Kulik, H.-M. Schiebel, A.G. Yurchenko J.Am. Chem.Soc. 122(30) (2000) 7317-7326; Oxidative Single-Electron Transfer Activation of σ-Bonds in Aliphatic Halogenation Reactions; link