PRIN 01-03 First Year Report (brief summary)

Liquid crystals for the design, preparation and characterization of novel molecular organizations 2002-2003:

    Publications 2001-2002 (in print and accepted for publication)

  1. - Defects in Liquid Crystals: Computer Simulations, Theory and Experiments, O.D. Lavrentovich, P. Pasini, C. Zannoni, S. Zumer eds., (Kluwer, Dordrecht, 2001).
  2. - C. Zannoni, Results of generic model simulations, in Physical Properties of Liquid Crystals, Vol. 1: Nematics, D. A. Dunmur, A. Fukuda and G.R. Luckhurst Eds., (EMIS, IEE, London, 2001), p. 624-634.
  3. - C. Zannoni, Molecular design and computer simulation of novel mesophases, J. Materials Chem., 11, 2637-2646 (2001).
  4. - R. Berardi, M. Ricci, C. Zannoni, Ferroelectric nematic and smectic liquid crystals from tapered molecules, Chem. Phys. Chem., 2, 443-447 (2001).
  5. - R. Berardi, S. Orlandi, D.J. Photinos, A. G. Vanakaras, C. Zannoni, Dipole strength effects on the polymorphism in polar smectics, PCCP, 4, 770-777 (2002).
  6. - R. Berardi, S. Orlandi, C. Zannoni, Nonspontaneous nematic induction and other field effects in model mesogens, Mol. Cryst. Liq. Cryst., accepted (2002).
  7. - R. Berardi, S. Orlandi, C. Zannoni, Computer simulations of tilted smectic phases, Phys. Rev. E, accepted (2003).
  8. - A. Arcioni, R. Tarroni, C. Zannoni, A theory of fluorescence depolarization in mesophases with tilted distribution of directors, Chem. Phys. Lett., 365, 8-14 (2002).
  9. - R. Berardi, M. Cecchini, C. Zannoni, A Monte Carlo study of the chiral columnar organisations of chiral discotic mesogens, in preparation (2003).
  10. - R. Berardi, C. Zannoni, Biaxial discotic Gay-Berne mesogens and biaxial nematics, Mol. Crys. Liq. Cryst., accepted (2003).
  11. - C. Bacchiocchi, M. Brunelli, C. Zannoni, Energy transfer and orientational dynamics in isotropic and nematic phases. A computer simulation approach, Chem. Phys. Lett., 336, 253-261 (2001).
  12. - T. Bellini, M. Buscaglia, C. Chiccoli, F. Mantegazza, P. Pasini, C. Zannoni, Nematics with quenched disorder: how long will it take to heal?, Phys. Rev. Lett., 88, 245506.1-4 (2002).
  13. - A. Arcioni, C. Bacchiocchi, L. Grossi, A. Nicolini, C. Zannoni, ESR studies of order and dynamics in a nematic liquid crystal containing a dispersed hydrophobic aerosil, J. Phys. Chem., 106, 9245-9251 (2002).
  14. - C. Chiccoli, I. Feruli, P. Pasini, C. Zannoni, Computer simulations and defects in confined liquid crystal lattice models, in Defects in Liquid Crystals: Computer Simulations, Theory and Experiments, O.D. Lavrentovich, P. Pasini, C. Zannoni, S. Zumer eds., (Kluwer, Dordrecht, 2001), p. 87-112.
  15. - C. Chiccoli, P. Pasini, G. Skacej, C. Zannoni, S. Zumer, Inhomogeneous translational diffusion in polymer dispersed liquid crystals: Monte Carlo simulations of NMR spectra, Mol. Cryst. Liq. Cryst., 367, 2987-2997 (2001).
  16. - C. Chiccoli, P. Pasini, G. Skacej, C. Zannoni, S. Zumer, Polymer network-induced ordering in a nematogenic liquid: A Monte Carlo study, Phys. Rev. E, 65, 051703.1-7 (2002).
  17. - C. Chiccoli, P. Pasini, G. Skacej, S. Zumer, C. Zannoni, NMR line spectra from lattice spin models of polymer-dispersed liquid crystals, to be published in A. Strigazzi ed. (2002).
  18. - C. Chiccoli, P. Pasini, G. Skacej, C. Zannoni, S. Zumer, Nematics with dispersed polymer fibrils: A Monte Carlo study of the external field-induced switching, accepted (2003).
  19. - C. Chiccoli, Y. Lansac, P. Pasini, J. Stelzer, C. Zannoni, Effect of surface orientation on director configurations in a nematic droplet. A Monte Carlo simulation, Mol. Cryst. Liq. Cryst., 372, 157-165 (2001).
  20. - C. Chiccoli, Y. Lansac, P. Pasini, J. Stelzer, C. Zannoni, Effect of surface orientation on director configurations in a nematic droplet. A Monte Carlo simulation, Mol. Cryst. Liq. Cryst., 372, 157-165 (2001).
  21. - A. Arcioni, C. Bacchiocchi, M. D'Elia, R. Tarroni, C. Zannoni, Order and mobility of the fluorescent probe 1,6-diphenylhexatriene in a polyester liquid crystal polymer, Mol. Cryst. Liq. Cryst., 363, 281-290 (2001).
  22. - C. Chiccoli, P. Pasini, F. Semeria, C. Zannoni, Monte Carlo Simulations of a Biaxial Liquid Crystal Model using the Condor processing System, Lecture Notes in Computer Science, Springer, 2110, 555-560 (2001).
  23. - C. Chiccoli, I. Feruli, O.D. Lavrentovich, P. Pasini, C. Zannoni, Monte Carlo simulations of topological defects in Schlieren textures of biaxial and uniaxial nematic liquid crystals, Phys. Rev. E, 66, 030701.1-4 (2002).
  24. - C. Chiccoli, P. Pasini, I. Feruli, C. Zannoni, Simulations of topological defects in nematic liquid crystal films, Mol. Crys. Liq. Cryst., submitted (2003).
  25. - C. Chiccoli, P. Pasini, S. Guzzetti, C. Zannoni, Computer simulations of nematic displays, Mol. Cryst. Liq. Cryst., 360, 119-129 (2001).
  26. - T. Giorgi, F. Grepioni, I. Manet, P. Mariani, S. Masiero, E. Mezzina, S. Pieraccini, L. Saturni, G.P. Spada, G. Gottarelli Gel-like lyomesophases formed in organic solvents by self-assembled guanine ribbons, Chem. Eur. J., 8, 2143-2152 (2002).
  27. - P. Samorì, S. Pieraccini, S. Masiero, G.P. Spada, G. Gottarelli, J.P. Rabe, Controlling the self-assembly of a deoxyguanosine on mica, Colloids and Surfaces B, 23, 283-288 (2002).
  28. - R. Rinaldi, E. Branca, R. Cingolani, R. De Felice, A. Calzolari, E. Molinari, S. Masiero, G.P. Spada, G. Gottarelli, A. Garbesi, Biomolecular electronic devices based on self-organized deoxyguanosine nanocrystals, Ann. N. Y. Acad. Sci., 960, 184-192 (2002).
  29. - R. Rinaldi, G. Maruccio, A Biasco, V. Arima, R. Cingolani, T. Giorgi, S. Masiero, G.P. Spada, G. Gottarelli, Hybrid molecular electronic devices based on modified deoxyguanosines, Nanotechnology, 13, 398-403 (2002).
  30. - S. Pieraccini, M.I. Donnoli, A. Ferrarini, G. Gottarelli, G. Licini, C. Rosini, S. Superchi, G.P. Spada, A correlation between the absolute configuration of alkyl aryl sulfoxides and their helical twisting powers in nematic liquid crystals, J. Org. Chem., in press (2003)
  31. - A. Ferrarini, G.J. Moro, Molecular models of order, in NMR of Ordered Liquids, ed. E.E. Burnell and C.A. de Lange (Kluwer, Amsterdam, 2003), in press.
  32. - S. Bonuso, C. Visentin, A. Ferrarini, G.J. Moro, Order and elastic properties of nematics from Lennard-Jones intermolecular interactions. A van der Waals - DFT approach, in preparation (2003).
  33. - S. Pieraccini, M.I. Donnoli, A. Ferrarini, G. Gottarelli, G. Licini, C. Rosini, S. Superchi, e G. P. Spada, A correlation between the absolute configuration of alkyl aryl sulfoxides and their helical twisting power in nematic liquid crystals, J. Org. Chem., in press (2003).
  34. - A. Ferrarini, Modeling the steric and electrostatic alignment of macromolecules in virus dispersions. Application to the prediction of NMR residual dipolar couplings, in preparation (2003).
  35. - A. di Matteo, A. Ferrarini, A molecular based continuum approach for the dielectric permittivity of liquids and liquid crystals, J. Chem. Phys., 117, 2397 (2002)
  36. - A. Ferrarini, Dielectric permittivity of nematics with a molecular based continuum model, Mol. Cyst. Liq. Cryst., in press (2003)
  37. - B. Nigro, G.J. Moro, A stochastic model for crankshaft transitions. II. Analysis of transition dynamics, J. Phys. Chem. B, 106, 7365 (2002).
  38. - D. Frezzato, G.J. Moro, Roto-translational diffusion in smectic-C liquid crystals, Mol. Cryst. Liq. Cryst, (accepted).
  39. - M. Stocchero, G.J. Moro, Director reorientation due to dye photoabsorption, Mol. Cryst. Liq. Cryst (accepted).
  40. - A. E. Gomes, A. Polimeno, L. Orian, A.F. Martins, Time evolution of director patterns in rotating nematic samples, Mol. Cryst. Liq. Cryst., accepted (2003).
  41. - L. Orian, G. Feio, A. Veron, A. Polimeno, A.F. Martins, Rheo NMR and numerical study of the nematodynamics in cylindrical Couette geometry, Mol. Cryst. Liq. Cryst., accepted (2003).
  42. - A.F. Martins, A. Veron and A. Polimeno, Stochastic approach to transient phenomena in the rheology of nematic liquid crystals, Mol. Cryst. Liq. Cryst., accepted (2003).
  43. - Y. Levine and A. Polimeno, Computer simulation of pressure-area isotherms of monolayers of charged fatty-acid molecules, Mol. Cryst. Liq. Cryst., accepted (2003).
  44. - M. Lukaschek, G. Kothe, C. Schmidt, A.E. Gomes, A. Polimeno, Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie-Ericksen theory, J. Chem. Phys., 117, 4550 (2002).
  45. - L. Orian, A. Polimeno, A.F. Martins, Dynamical regimes of nematic infinite planar samples, Mol. Cryst. Liq. Cryst., 372, 145 (2002).
  46. - G. Althoff, D. Frezzato, M. Vilfan, O. Stauch, R. Schubert, I. Vilfan, G.J. Moro, G. Kothe, Transverse nuclear spin relaxarion induced by shape fluctuations in membrane vesicles. Theory and Experiments, Mol. Cryst. Liq. Cryst, accepted (2003).
  47. - D. Frezzato, G. Kothe, G.J. Moro, Transverse nuclear spin relaxation in nematic liquid crystals. Effects of the anisotropy of the viscoelastic properties, Mol. Cryst. Liq. Cryst., accepted (2003).
  48. - D. Frezzato, G.J. Moro, G. Kothe, Transverse nuclear spin relaxation due to director fluctuations in liquid crystals. II. Director fluctuations contributions of the second order, in preparation (2003).
  49. - D. Frezzato, M. Tittelbach, G.J. Moro, G. Kothe, Transverse nuclear spin relaxation induced by director fluctuations in a nematic liquid crystal polymer. Evaluation of the anisotropic elastic constants, J. Chem. Phys., submitted (2003).
  50. - D. Frezzato, K. Kothe, G.J. Moro, Transverse nuclear spin relaxation due to director fluctuations in liquid crystals. III. A slow motional theory for the angular dependence in pulse experiments, in preparation (2003).
  51. - L. Chiezzi, R.Y. Dong, C.A. Veracini, Deuterium NMR relaxation in the smectic A phase of a chiral smectogen, Phys. Rev. E, 65, 041716 (2002).
  52. - C.A. Veracini, M. Geppi, NMR studies of chiral smectic phases, a supplement to Encyclopedia of Nuclear Magnetic Resonance, D.M. Grant and R.K. Harris eds, John Wiley & Sons, Chichester, (2002).
  53. - L. Chiezzi, V. Domenici, M. Geppi, C.A. Veracini, R.Y. Dong, Internal and overall molecular dynamics in a chiral smectogen through 2H NMR relaxation, Chem. Phys. Lett., 358, 257 (2002).
  54. - D. Catalano, L. Chiezzi, V. Domenici, M. Geppi, C.A. Veracini, R.Y. Dong, K. Fodor-Csorba, 2H NMR spectroscopy of liquid crystals: structure and orientational order of a chiral smectogen, Macromol. Chem. Phys., 203, 1594 (2002).
  55. - D. Catalano, M. Cifelli, V. Domenici, K. Fodor-Csorba, R. Richardson, C.A. Veracini, 2H NMR and SAXS of a ferroelectric liquid crystal: unwinding of the ferroelectric chiral helix by high magnetic fields, Chem. Phys. Letters, 346, 259 (2001).
  56. - S. Urban, B. Gestblom, C. Gandolfo, C.A.Veracini, Broad band relexation studies of a substance with the Nematic, Smectic A and Smectic B polymorfism, Z. Naturforsch., 57a, 819-823. (2002),
  57. - C. Forte, M. Cifelli, M. Geppi, C.A. Veracini, Dynamics of a liquid crystal in its smectic A phase from angle dependent deuterium spin relaxation measurements, Mol. Cryst. Liq. Cryst., 372, 81 (2002).
  58. - L. Chiezzi, K. Fodor-Csorba, G. Galli, B. Gallot, S. Pizzanelli, C.A. Veracini, Partially deuterated liquid crystal polymers: structure and orientational order by X-ray diffraction and 2H NMR, Mol. Cryst. Liq. Cryst., 372, 69 (2002).
  59. - E Barmatov, L. Chiezzi, S. Pizzanelli, C.A. Veracini, Order and dynamics of a series of side chain liquid crystal copolymers throught 2H NMR spectroscopy, Macromolecules, 35, 3076 (2002).
  60. - D. Catalano, L. Chiezzi, V. Domenici, G. Galli, C.A. Veracini, Synthesis and 2H NMR Study of Deuterium labelled Ferroelectric Liquid Crystalline Polymer, Mol. Cryst. Liq. Cryst., accepted (2003).
  61. - M. Geppi, S. Pizzanelli and C.A. Veracini, Phenyl ring dynamics in a liquid Crystal Polymer through 2H NMR Spectroscopy, Chem. Phys. Letters, 343, 513 (2001).
  62. - M. Geppi, S. Pizzanelli, C.A. Veracini, C. Cardelli, E. Tombari, P. Lo Nostro, Investigation of the phase transitions of a semifluorurate n-alkane by NMR calorimetric and dielectric techniques. J. Phys. Chem. B, 106, 1598 (2002).
  63. - G. Cinacchi, M. Longeri, C.A. Veracini, The internal rotation in alkyl benzene derivatives: maximum entropy and constrained maximum entropy analysis of the dipolar couplings of samples dissolved in a nematic liquid crystal solvent, Phys. Chem. Chem. Phys., 4, 5582-5589 (2002).
  64. - M. Longeri, G. Celebre, NMR studies of solutes in liquid crystals: small flexible molecules, in NMR of Ordered Liquids, ed. E.E. Burnell and C.A. de Lange (Kluwer, Amsterdam, 2003), in press.
  65. - G. Celebre, G. De Luca, M. Longeri, Ordering of polar solutes in nematic magic mixtures: evidences of dipolar effects, Mol. Cryst. Liq. Cryst., accepted (2003).
  66. - G. Celebre, G. De Luca, Short-range molecular interactions governing the orientational ordering of apolar molecules dissolved in nematic solvents, J. Phys. Chem. B, submitted (2003).
  67. - G. Celebre, G. De Luca, The Orientational Behaviour of 1,4-difluorobenzene and p-benzoquinone in ZLI1132 and EBBA Nematic Solvents, Chem. Phys. Lett., accepted (2003).
  68. - G. Cinacchi, M. Longeri, C.A. Veracini, Internal Rotation in Alkyl Benzene derivatives: Maximim Entropy amd Constrained Maximum Entropy Analysis of the Dipolar Couplings of samples Dissolved in a Nematic Liquid Solvent, Phys. Chem. Chem. Phys., 4, 5582-5589 (2002).
  69. - G. Celebre, G. De Luca, J. W. Emsley, E.K. Foord, M. Longeri, F. Lucchesini, G. Pileio, The conformational distribution in diphenylmethane determined by NMR spectroscopy of a sample dissolved in nematic liquid crystalline solvent, J. Chem. Phys., accepted (2003).
  70. - G. Di Profio, J. Lanzo, F.P. Nicoletta, G. De Filpo, G. Chidichimo, Fast switchable nematic emulsions with twisted directors, Appl.Phys Lett., 79, 4512 (2001).
  71. - J. Lanzo, F.P. Nicoletta, G. De Filpo, G. Chidichimo, From nematic emulsions to polymer dispersed liquid crystals, J. Appl. Phys, 92, 4271 (2002).
  72. - G. Di Profio, F.P. Nicoletta, G. De Filpo, G. Chidichimo, Reverse-mode operation switchable nematic emulsions, Langmuir, 18, 3034 (2002).
  73. - G. De Filpo, N. Picci, R. Mazzalupo, F. Iemma, F.P. Nicoletta, G. Chidichimo, Anisometric, non-mesogenic, tailor-made monomer for reverse-mode shutters, Liquid Crystals, 29, 295 (2002).
  74. - F.P. Nicoletta, G. De Filpo, D. Cupelli, M. Macchione, G. Chidichimo, Orientation control of liquid crystal droplets in a polymer matrix, Appl. Phys. Lett., 79, 4325 (2002).
  75. - L. Coppola, R. Gianferri, I. Nicotera, C. Oliviero, A defective lamellar phase in a nonionic surfactant water system studied by NMR methods, Mol. Cryst. Liq. Cryst, in press (2003).
  76. - C. Oliviero, L. Coppola, C. La Mesa, G.A. Ranieri, M. Terenzi, Gemini Surfactant-Water Mixtures: some Physical-chemical Properties; Coll. and Surf. A, 201, 247-260, (2002).
  77. - C. Oliviero, L. Coppola, R. Gianferri, I. Nicotera, Dynamic phase diagram of Lamellar Lyomesophase, Russian J. Phys. Chem., in press (2003).
  78. - L. Coppola, R. Gianferri, C. Oliviero, G.A. Ranieri, Rheology of a lyotropic mesophases through a stress relaxation experiment, J. of Colloid and Interface Science, submitted (2003).
  79. - I. Nicotera, C. Oliviero, L. Coppola, R. Gianferri and G.A. Ranieri, Mechanical properties of PAN-based Gel Electrolytes: A small amplitude oscillatory shear study, Journal of Plastic, Rubber and Composites, submitted (2003).
  80. - I. Nicotera, G.A. Ranieri, M. Terenzi, A.V. Chadwick, M.I. Webster, A study of stability of plasticized PEO electrolytes, Solid State Ionics, 146, 143-150 (2002).
  81. - M. Castriota, E. Cazzanelli, I. Nicotera, C. Oliviero, L. Coppola and G.A. Ranieri, Temperature dependence of lithium ion solvation in ethylene carbonate-LiClO4 solutions, J. Chem. Phys., in press (2003).
  82. - R.P. Bonomo, D. Grasso, G. Grasso, V. Guantieri, G. Impellizzeri, C. La Rosa, D. Milardi, G. Pappalardo, G. Tabì, E. Rizzarelli, Metal binding to prion protein, NATO Series, in press (2003).
  83. - C. La Rosa, D. Milardi, D. Grasso, M.Ph. Verbeet, G.W. Canters, L. Sportelli, R. Guzzi, A model for the thermal unfolding of Amicyanin, Eur. Biophys J., 30, 559-570 (2002).
  84. - D. Grasso, D. Milardi, V. Guantieri, C. La Rosa, E. Rizzarelli, Interaction of neurotoxic Prion peptide Prp180-193 with model membranes: a thermodynamic study, New Journal of Chemistry, in press (2003).
  85. - D. Grasso, D. Milardi, C. La Rosa, G. Impellizzeri, G. Pappalardo, The interaction of a peptide with a scrambled hydrophobic/hydrophilic sequence (Pro-Asp-Ala-Asp-Ala-His-Ala-His-Ala-His-Ala-Ala-Ala-His-Gly) (PADH) with DPPC model membranes: a DSC study, Thermochimica Acta, 390, 73-78 (2002).
  86. - M. Pappalardo, D. Milardi, D.M. Grasso, C. La Rosa, Free energy perturbation and molecular dynamics calculations of copper binding to azurin, J. Comp. Chem., in press (2003).
  87. - D. Milardi, C. La Rosa, D. Grasso, L. Sportelli, R. Guzzi, M.Ph. Verbeet, G.W. Canters, Effect of Copper replacement by Zinc in the C3A/C26A azurin mutant: a DSC and spectroscopic study, Int. J. of Biol. Macromol., in press (2003).