Physical Chemistry of Polyelectrolytes, Coil-Globule Transition and Micelle Formation in Dilute Solutions, Including Collapse of DNA (theory + experiment)
Statistical mechanics of swelling and collapse of single polyelectrolyte macromolecules. Coil-globule transition in DNA molecules. Mixed polyelectrolyte/ionomer behavior. Microstructuring and miscibility enhancement in polyelectrolyte systems. Systems with polyelectrolyte/hydrophobic competition. Micelle formation in the solutions of polydisperse block copolymers and block copolymers with polyelectrolyte blocks. Mixtures of block-copolymers and surfactants in dilute solutions.Representative publications in 1992-2012:
1. O.E. Philippova, S.G. Starodubtzev. Miscibility Enhancement of Polymers in Polar Media by Incorporation of a Small Amount of Charged Groups into the Polymer Chains. Makromol. Chem. Rapid. Commun., 1993, v.14, p.421.
2. S.K. Talitskikh, P.G. Khalatur. A Hybrid Simulation Technique for Modeling Complex Molecular Systems. Russ. J. Phys. Chem., 1993, v.67, p.412.
3. K. Minagawa, Y. Matsuzawa, K. Yoshikawa, M. Doi, A.R.Khokhlov. Direct Observation of the Coil-Globule Transition in DNA Molecules. Biopolymers, 1994, v.34, p.555.
4. V.V. Vasilevskaya, A.R. Khokhlov, Y. Matsuzawa, K. Yoshikawa. Collapse of Single DNA Molecule in Poly(ethyleneglycol) Solutions. J. Chem. Phys., 1995, v.102, p.6595.
5. P.G. Khalatur. Combined Method MC/RISM in Numerical Modeling of Polymers. Russ. Phys. Bull., 1995, v.59, p.178.
6. P.G. Khalatur. Computer Simulations of Polymer systems. In: Mathematical Methods in Contemporary Chemistry, N.Y., Gordon and Breach, 1995, p.487.
7. A.R. Khokhlov, E.Yu. Kramarenko. Weakly Charged Polyelectrolytes: Collapse Induced by Extra Ionization. Macromolecules, 1996, v.29, p.681.
8. N.P. Shusharina, I.A. Nyrkova, A.R. Khokhlov. Diblock Copolymers with a Charged Block in a Selective Solvent: Micellar Structure. Macromolecules, 1996, v.29, p.3167.
9. N.P. Shusharina, M.V. Saphonov, I.A. Nyrkova, P.G. Khalatur, A.R. Khokhlov. The Critical Micelle Concentration for the Solution of Polyelectrolyte / Neutral Block-Copolymers. Ber. Bunsenges. Phys. Chem., 1996, v.100, p.857.
10. K. Yoshikawa, S. Kidoaki, M. Takahashi, V.V. Vasilevskaya, A.R. Khokhlov. Marked Discretness of the Coil-Globule Transition in Single Duplex DNA. Ber. Bunsenges. Phys. Chem., 1996, v.100, p.876.
11. K. Yoshikawa, M. Takahashi, V.V. Vasilevskaya, A.R. Khokhlov. Large Discrete Transition in a Single DNA Molecule Appears Continuous in the Ensemble. Phys. Rev. Lett., 1996, v.76, p.3029.
12. S.G. Starodubtsev, K. Yoshikawa. Intrachain Segregation in Single Giant DNA Molecules Induced by Poly(2-vinylpyrrolidone). J.Phys.Chem., 1996, v.100, p.19702.
13. V.A. Ivanov, B. Jung, A.N. Semenov, I.A. Nyrkova, A.R. Khokhlov. Simple One-particle Diffusional Model to Mimic Some Properties of Glass Transition. J. Chem. Phys., 1996, v.104, p.4214.
14. S.I. Kuchanov, A.S. Yakovlev, N.I. Kozlov. Graph-Theoretic Approaches for Qualitative Analysis and Numerical Solution of Equations of Multicomponent Copolymerization. J. Polym. Sci. B, 1996, v.34, p.1987.
15. V.V. Vasilevskaya, A.R. Khokhlov, S. Kidoaki, K. Yoshikawa. Structure of Collapsed Persistent Macromolecule: Toroid vs. Spherical Globule. Biopolymers, 1997, v.41, p.51.
16. E.Yu. Kramarenko, A.R. Khokhlov, K.Yoshikawa. Collapse of Polyelectrolyte Macromolecules Revisited. Macromolecules, 1997, v.30, p.3383.
17. M. Takahashi, K. Yoshikawa, V.V. Vasilevskaya, A.R. Khokhlov. Discrete Coil-Globule Transition of Single Duplex DNA's Induced by Polyamines. J.Phys.Chem.B, 1997, v.101, p.9396.
18. I.A. Nyrkova, N.P. Shusharina, A.R. Khokhlov. Liquid-Crystalline Ordering in Solution of Polyelectrolytes. Macromol. Theory Simul., 1997, v.6, p.965.
19. M. Saariaho, I. Szleifer, I. Erukhimovich, O. Ikkala, G. ten Brinke. On Lyotropic Behavior of Molecular Bottle-Brushes: a Monte Carlo Computer Simulation Study. J. Chem. Phys., 1997, v.107, p.3267.
20. A.N.Semenov, J.F.Joanny. Formation of Hairpins and Band Broadening in Gel Electrophoresis of DNA. Phys.Rev.E, 1997, v.55, p.789.
21. A.L. Borovinskii, A.R. Khokhlov. Microphase Separation in a Mixture of Block Copolymers in the Strong Segregation Regime. Macromolecules, 1998, v.31, p.1180.
22. S.G. Startodubtsev, K. Yoshikawa. Conformational Transition of Large Duplex T4 DNA Embeded in Poly(acrylamide) Gel. Langmuir, 1998, v.14, p.214.
23. E.E. Makhaeva, H. Tenhu, A.R. Khokhlov. Conformational Changes of Poly(vinylcaprolactam) Macromolecules and Their Complexes with Ionic Surfactants in Aqueous Solution. Macromolecules, 1998, v.31, p.6112.
24. A.L. Borovinskii, A.R. Khokhlov. Micelle Formation in the Dilute Solution Mixtures of Block-Copolymers. Macromolecules, 1998, v.31, p.7636.
25. V.A. Ivanov, W. Paul, K. Binder. Finite Chain Length Effects on the Coil-Globule Transition of Stiff-Chain Macromolecules: A Monte-Carlo Simulation. J. Chem. Phys., 1998, v.109, p.5659.
26. P.G. Khalatur, A.R. Khokhlov. Hybrid MC/RISM Technique for Simulation of Polymer Solution: Monte Carlo + RISM Integral Equations. Mol. Phys., 1998, v.93, p.555.
27. P.G. Khalatur, L.V. Zherenkova, A.R. Khokhlov. Entropy-Driven Polymer Collapse: Application of the Hybrid MC/RISM Method to the Study of Conformational Transitions in Macromolecules Interacting with Hard Colloidal Particles. Eur. Phys. Journ. B, 1998, v.5, p.881.
28. L.M. Bronstein, D.M. Chernyshov, G.I. Timofeeva, L.V. Dubrovina, P.M. Valetsky, A.R. Khokhlov. (Polystyrene-block-Poly(ethylene oxide)) Micelles in Aqueous Solutions. Langmuir, 1999, v.15, p.6195.
29. O.E. Philippova, A.R. Khokhlov. Self-Assemblies in Ion-Containing Polymers. Macromol. Symposia, 1999, v.143, p.207.
30. Yu.S. Velichko, K. Yoshikawa, A.R. Khokhlov. Effect of Twisting Behavior of a Double-Stranded Polymer Chain: a Monte-Carlo Simulation. J. Chem. Phys., 1999, v.111, p.9424.
31. V.A. Baulin, E.Yu. Kramarenko, A.R. Khokhlov. Polymeric-Surfactant Complexes: Solubilization of Polymeric Globule by Surfactants. Computational and Theor. Polym. Sci., 2000, v.10, p.165.
32. L.M. Bronstein, D.M. Chernyshov, G.I. Timofeeva, L.V. Dubrovina, P.M. Valetsky, E.S. Obolonkova, A.R. Khokhlov. Interaction of Polystyrene-block-poly(ethylene oxide) Micelles with Cationic Surfactant in Aqueous Solutions. Metal Colloid Formation in Hybrid Systems. Langmuir, 2000, v.16, p.3626.
33. N.P. Shusharina, P. Linse, A.R. Khokhlov. Micelles of Diblock Copolymers with Charged and Neutral Blocks: Scaling and Mean-Field Lattice Approaches. Macromolecules, 2000, v.33, p.3892.
34. P.G. Khalatur, D.G. Shirvanyanz, N.Yu. Starovoitova, A.R. Khokhlov. Conformational Properties and Dynamics of Molecular Bottle-Brushes: A Cellular-Automaton-Based Simulation. Macromol. Theory Simul., 2000, v.9, p.141.
35. E.Yu. Kramarenko, A.R. Khokhlov, K. Yoshikawa. A Three-State Model for Counterions in a Dilute Solution of Weakly Charged Polyelectrolytes. Macromol. Theory Simul., 2000, v.9, p.249.
36. V.I. Lozinsky, I.A. Simenel, E.A. Kurskaya, V.K. Kulakova, I.Yu. Galaev, B. Mattiasson, V.Ya. Grinberg, N.V. Grinberg, A.R. Khokhlov. Synthesis of N-vinylcaprolactam Polymers in Water-Containing Media. Polymer, 2000, v.41, p.6507.
37. L.M. Bronstein, D.M. Chernyshov, G.I. Timofeeva, L.V. Dubrovina, P.M. Valetsky, A.R. Khokhlov. The Hybrids of Polystyrene-block-Poly(ethylene Oxide) Micelles and Sodium Dodecyl Sulfate in Aqueous Solutions: Interaction with Rh Ions Rh Nanoparticle Formation. J. Colloid and Interface Sci., 2000, v.230, p.140.
38. E.E. Makhaeva, H. Tenhu, A.R. Khokhlov. Behavior of Poly(N-vinylcaprolactam) Macromolecules in the Presence of Organic Compounds in Aqueous Solution. Polymer, 2000, v.41, p.9139.
39. V.V. Vasilevskaya, A.R. Khokhlov, K. Yoshikawa. Single Polyelectrolyte Macromolecule in the Salt Solution: Effect of Escaped Counter Ions. Macromol. Theory Simul., 2000, v.9, p.600.
40. V.A. Ivanov, M.R. Stukan, V.V. Vasilevskaya, W. Paul, K. Binder. Structures of Stiff Macromolecules of Finite Chain Length near the Coil-Globule Transition: A Monte Carlo Simulation. Macromol. Theory Simul., 2000, v.9, p.488.
41. G. Bokias, V.V.Vasilevskaya, I.Iliopoulos, D.Hourdet, A.R.Khokhlov. The Influence of the Migration of the Ionic Groups on the Solubility of Polyelectrolytes: Phase Behavior of Ionic Poly(N-isopropylacrylamide) Copolymers in Water. Macromolecules, 2000, v.33, p.9757.
42. V.V.Vasilevskaya. Conformational Transitions in Polyelectrolyte Molecules: Influence of Osmotic Pressure of Counter Ions. In: Physical Chemistry of Polyelectrolytes. Marcel Dekker, N.Y., v.1, Chapter 6, 2000, pp. 181-201.
43. S. Pispas, N. Hadjichristidis, I. Potemkin, A. Khokhlov. Effect of Architecture on the Micellization Properties of Block Copolymers: A2B Miktoarm Stars vs AB Diblocks. Macromolecules, 2000, v.33, p.1741.
44. O.E. Philippova, E.V. Volkov, N.L. Sitnikova, A.R. Khokhlov, J. Desbrieres, M. Rinaudo. Two Types of Hydrophobic Aggregates in Aqueous Solutions of Chitosan and Its Hydrophobic Derivative. Biomacromolecules, 2001, v.2, p.483.
45. S.S. Abramchuk, A.R. Khokhlov, T. Iwataki, H. Oana, K. Yoshikawa. Direct Observation of DNA Molecules in a Convection Flow of a Drying Droplet. Europhys. Lett., 2001, v.55, p.294.
46. V.Ya. Grinberg, N.V. Grinberg, A.I. Usov, N.P. Shusharina, A.R. Khokhlov, K.G. de Kruif. Thermodynamics of Conformational Ordering of i-Carrageenan in KCl Solutions Using High-Sensitivity Differential Scanning Calorimetry. Biomacromolecules, 2001, v.2, p.864.
47. L.M. Bronstein, D.M. Chernyshov, E. Vorontsov, G.I. Timofeeva, L.V. Dubrovina, P.M. Valetsky, S. Kazakov, A.R. Khokhlov. Comicellization of Polystyrene-block-Poly(ethylene oxide) with Cationic and Anionic Surfactants in Aqueous Solutions: Indications and Limits. J. Phys. Chem. B, 2001, v.105, p.9077.
48. S.B. Moldakarimov, E.Yu. Kramarenko, A.R. Khokhlov, S.E. Kudaibergenov. Formation of Salt Bonds in Polyampholyte Chains. Macromol. Theory Simul., 2001, v.10, p.780.
49. A.R. Khokhlov, K.B. Zeldovich, E.Yu. Kramarenko. Counterions in Polyelectrolytes, In: Electrostatic Effects in Soft Matter and Biophysics, Eds. C. Holm et al, Kluwer Academic Publishers, 2001, pp. 283-316.
50. E.E. Makhaeva, H. Tenhu, A.R. Khokhlov. Behavior of Poly(N-vinylcaprolactam-co-methacrylic acid) Macromolecules in Aqueous Solution: Interplay between Coulombic and Hydrophobic Interaction. Macromolecules, 2002, v.35, p.1870.
51. I.I. Potemkin, R.E. Limberger, A.N. Kudlay, A.R. Khokhlov. Rodlike Polyelectrolyte Solutions: Effect of Many-Body Coulomb Attraction of Similarly Charged Molecules Favoring Weak Nematic Ordering at Very Small Polymer Concentration. Phys.Rev.E, 2002, v.66, p.011802.
52. E.Yu. Kramarenko, I.Ya. Erukhimovich, A.R. Khokhlov. The Influence of Ion Pair Formation on the Phase Behavior of Polyelectrolyte Solutions. Macromol. Theory Simul., 2002, v.11, p.462.
53. M.R. Stukan, V.A. Ivanov, M. Mueller, W. Paul, K. Binder. Finite Size Effects in Pressure Measurements for Monte Carlo Simulation of Lattice Polymer Models. J. Chem. Phys., 2002, v.117, p.9934.
54. M.R. Stukan, V.A. Ivanov, A.Yu. Grosberg, W. Paul, K. Binder. Chain Length Dependence of the State Diagram of a Single Stiff-Chain Macromolecule: Theory and Monte Carlo Simulation. J. Chem. Phys., 2003, v.118, p.3392.
55. L.M. Mikheeva, N.V. Grinberg, V.Ya. Grinberg, A.R. Khokhlov, C.G. de Kruif. Thermodynamics of Micellization of Bovine beta - Casein Studied by High-Sensitivity Differential Scanning Calorimetry. Langmuir, 2003, v.19, p.2913.
56. V.A. Ivanov, M.R. Stukan, M. Muller, W. Paul, K. Binder. Phase diagram of solutions of stiff-chain macromolecules: A Monte Carlo simulation. J. Chem. Phys., 2003, v.118, p.10333.
57. E.Yu. Kramarenko, A.R. Khokhlov, P. Reineker. Micelle Formation in a Dilute Solution of Block Copolymers with a Polyelectrolyte Block Complexed with Oppositely Charged Linear Chains. J. Chem. Phys, 2003, v.119, p.4945.
58. E.N. Govorun, K.B. Zeldovich, A.R. Khokhlov. Structure of Charged Poly(propylene imine) Dendrimers: Theoretical Investigation. Macromol. Theory Simul., 2003, v.12, p.705.
59. Yu.A. Shashkina, Yu.D. Zaroslov, V.A. Smirnov, O.E. Philippova, A.R. Khokhlov, T.A. Pryakhina, N.A. Churochkina. Hydrophobic Aggregation in Aqueous Solutions of Hydrophobically Modified Polyacrylamide in the Vicinity of Overlap Concentration. Polymer, 2003, v.44, p.2289.
60. I.I. Potemkin, A.R. Khokhlov. Nematic Ordering in Dilute Solutions of Rodlike Polyelectrolytes. J. Chem. Phys., 2004, v.120, p.10848.
61. I.I. Potemkin. Overcharging of Complexes Formed by Oppositely Charged, Interpenetrable Macroions. Europhys. Lett., 2004, v.68, p.487.
62. N.V. Semagina, A.V. Bykov, E.M. Sulman, V.G. Matveeva, S.N. Sidorov, L.V. Dubrovina, P.M. Valetsky, O.I. Kiselyova, A.R. Khokhlov, B. Stein, L.M. Bronstein. Selective Dehydrolinalool Hydrogenation with Poly(ethylene oxide)-block-poly-2-vinylpyridine Micelles Filled with Pd Nanoparticles. J. of Molecular Catalisis A: Chemical, 2004, v.208, p.273.
63. E.Yu. Kramarenko, O.S. Pevnaya, A.R. Khokhlov. Stoichiometric Polyelectrolyte Complexes as Comb Copolymers. J. Chem. Phys., 2005, v.122, p.084902.
64. L.M. Bronstein, M. Kostylev, I. Tsvetkova, J. Tomaszewski, B. Stein, E.E. Makhaeva, I. Okhapkin, A.R. Khokhlov. Core-Shell Nanostructures from Single Poly(N-vinylcaprolactam) Macromolecules: Stabilization and Visualization. Langmuir, 2005, v.21, p.2652.
65. I.I. Potemkin, N.N. Oskolkov, A.R. Khokhlov, P. Reineker. Effect of Low-Molecular-Weight Salt on the Nematic Ordering in Solutions of Rodlike Polyelectrolytes. Phys. Rev. E, 2005, v.72, p.021804.
66. J.A. Martemyanova, M.R. Stukan, V.A. Ivanov, M. Mueller, W. Paul, K. Binder. Dense Orientationally Ordered States of a Single Semiflexible Macromolecules: An Expanded Ensemble Monte Carlo Simulation. J. Chem. Phys., 2005, v.122, p.174907.
67. L.M. Bronstein, S.N. Sidorov, V. Zhirov, D. Zhirov, Y.A. Kabachii, S.Y. Kochev, P.M. Valetsky, B. Stein, O.I. Kiseleva, S.N. Polyakov, E.V. Shtykova, E.V. Nikulina, D.I. Svergun, A.R. Khokhlov. Metalated Diblock and Triblock Poly(Ethylene Oxide)-Block-Poly(4-Vinylpyridine) Copolymers: Understanding of Micelle and Bulk Structure. J. Phys. Chem. B., 2005, v.109, p.18786.
68. T.V. Burova, N.V. Grinberg, V.Ya. Grinberg, E.V. Kalinina, V.I. Lozinsky, V.O. Aseyev, S. Holappa, H. Tenhu, A.R. Khokhlov. Unusual Conformational Behavior of Complexes of Poly(N-isopropylacrylamice) with Poly(methacrylic) Acid. Macromolecules, 2005, v.38, p.1292.
69. O.E. Philippova, T. Akitaya, I.R. Mullagaliev, A.R. Khokhlov, K. Yoshikawa. Salt-Controlled Intrachain/Interchain Segregation in DNA Complexed with Polycation of Natural Origin. Macromolecules, 2005, v.38, p.9359.
70. V.G. Babak, R. Auzely, M. Rinaudo, A.R. Khokhlov. Interfacial Layer-by-Layer Interpolyelectrolyte Complex Formation Studied by Flow Dilational Rheometry. Mendeleev Commun., 2005, v.15, p.239.
71. I.M. Okhapkin, E.E. Makhaeva, A.R. Khokhlov. Two-Dimensional Classification of Amphiphilic Monomers Based on Interfacial and Partitioning Properties. 1. Monomers of Synthetic Water-Soluble Polymers. Colloid Polym. Sci., 2005, v.284, p.117.
72. M.O. Gallyamov, S.G. Starodubtsev, A.R. Khokhlov. Synthesis and SFM Study of Comb-Like Poly(4-vinylpyridinium) Salts and Their Complexes with Surfactants. Macromol. Rapid Commun., 2006, v.27, p.1047.
73. I.M. Okhapkin, A.A. Askadskii, V.A. Markov, E.E. Makhaeva, A.R. Khokhlov. Two-Dimensional Classification of Amphiphilic Monomers Based on Interfacial and Partitioning Properties. 2. Amino Acids and Amino Acid Residues. Colloid Polym. Sci., 2006, v.284, p.575.
74. L.M. Bronstein, I.A. Khotina, D.M. Chernyshov, P.M. Valetsky, G.I. Timofeeva, L.V. Dubrovina, B. Stein, A.R. Khokhlov. Morphology of Hybrid Polystyrene-Block-Poly(ethylene oxide) Micelles: Analytical Ultracentrifugation and SANS Studies. J. Colloid Interface Sci., 2006, v.299, p.944.
75. E.Yu. Kramarenko, A.R. Khokhlov, P. Reineker. Stoichiometric Polyelectrolyte Complexes of Ionic Block Copolymers and Oppositely Charged Polyions. J. Chem. Phys., 2006, v.125, p.194902.
76. P.V. Komarov, L.V. Zherenkova, P.G. Khalatur, P. Reineker. The Formation of Planar Ribbonlike Aggregates from Stiff Polyanions in the Presence of Anisotropic Cations. J. Chem. Phys., 2006, v.125, p.154906.
77. O.A. Guskova, A.S. Pavlov, P.G. Khalatur, A.R. Khokhlov. Molecular Bottle Brushes in a Solution of Semiflexible Polyelectrolytes and Block Copolymers with an Oppositely Charged Block: A Molecular Dynamics Simulation. J. Phys. Chem. B., 2007, v.111, p.8360.
78. A. Ayoubi, A.A. Zinchenko, O.E. Philippova, A.R. Khokhlov, K. Yoshikawa. Visualization of Different Pathways of DNA Release from Interpolyelectrolyte Complex. J. Phys. Chem. B., 2007, v.111, p.8373.
79. V.V. Vasilevskaya, L. Leclercq, V. Boustta, V. Vert, A.R. Khokhlov. Study of Interpolymer Complexes of Oppositely Charged Macromolecules with Different Affinity to Solvent. Macromolecules, 2007, v.40, p.5934.
80. N.N. Oskolkov, I.I. Potemkin. Complexation in Asymmetric Solutions of Oppositely Charged Polyelectrolytes: Phase Diagram. Macromolecules, 2007, v.40, p.8423.
81. L.V. Zherenkova, P.V. Komarov, P.G. Khalatur, A.R. Khokhlov. Nanowire Self-Assembly on a DNA Fragment: Computer Simulation. Doklady Physical Chemistry, 2008, v.421, p.207.
82. M.K. Krotova, V.V. Vasilevskaya, A.R. Khokhlov. The effect of a low-molecular-mass salt on stoichiometric polyelectrolyte complexes composed of oppositely charged macromolecules with different solvent affinities. Polymer Science - Series A, 2009, v.51, p.1075.
83. P.V. Komarov, I.N. Veselov, P.P. Chu, P.G. Khalatur, A.R. Khokhlov. Atomistic and mesoscale simulation of polymer electrolyte membranes based on sulfonated poly(ether ether ketone). Chemical Physics Letters, 2010, v.487, p.291.
84. M.K. Krotova, V.V. Vasilevskaya, N. Makita, K. Yoshikawa, A.R. Khokhlov. DNA Compaction in a Crowded Environment with Negatively Charged Proteins. Physical review letters, 2010, v.105, p.128302.
85. V.A. Ermilov, V.V. Vasilevskaya, A.R. Khokhlov. Secondary Structure of Globules of Copolymers Consisting of Amphiphilic and Hydrophilic Units: Effect of Potential Range. Polymer science series A, 2010, v.52, p.317.
86. T.V. Burova, N.V. Grinberg, D.R. Tur, V.S. Papkov, A.S. Dubovik, V.Y. Grinberg, A.R. Khokhlov. Polyplexes of Poly(methylaminophosphazene): Energetics of DNA Melting. Langmuir, 2011, v.27, p.11582.
87. O.E. Philippova, E.V. Korchagina, E.V. Volkov, V.A. Smirnov, A.R. Khokhlov, M.Rinaudo. Aggregation of Some Water-Soluble Derivatives of Chitin in Aqueous Solutions: Role of the Degree of Acetylation and Effect of Hydrogen Bond Breaker. Carbohydrate polymers, 2012, v.7, p.687.