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3 results on '"host––guest system"'

1. Monte Carlo Modeling of Chosen Non-Linear Optical Effects for Systems of Guest Molecules in Polymeric and Liquid-Crystal Matrices.

Author

PAWLIK, GRZEGORZ, MITUS, ANTONI C., RAU, ILEANA, and KAJZAR, FRANCOIS

Subjects
*MONTE Carlo method, *MATHEMATICAL models, *NONLINEAR optics, *MOLECULES, *POLYMER liquid crystals, *LIQUID crystals, *DIFFRACTION gratings
Abstract

Static and kinetic Monte Carlo (MC) simulations offer an unique possibility to analyze "macroscopic" as well as "microscopic" physical properties of various model host-guest systems, where the host is either a polymer matrix or nematic liquid crystal (NLC), and guest molecules correspond to chromophores, dipoles or coated nanospheres. In this paper we review main results of recent Monte Carlo model studies of chosen non--linear optical effects related to Surface Relief Grating (SRG) kinetics, poling, DNA based diffraction gratings and nanosphere dispersed liquid crystal (NDLC) based metamaterials. [ABSTRACT FROM AUTHOR]

Published
2008

2. Tight Xenon Confinement in a Crystalline Sandwich-like Hydrogen-Bonded Dimeric Capsule of a Cyclic Peptide

Author

Pizzi, A, Ozores, H, Calvelo, M, Garcia-Fandino, R, Amorin, M, Demitri, N, Terraneo, G, Bracco, S, Comotti, A, Sozzani, P, Bezuidenhout, C, Metrangolo, P, Granja, J, Pizzi A., Ozores H. L., Calvelo M., Garcia-Fandino R., Amorin M., Demitri N., Terraneo G., Bracco S., Comotti A., Sozzani P., Bezuidenhout C. X., Metrangolo P., Granja J. R., Pizzi, A, Ozores, H, Calvelo, M, Garcia-Fandino, R, Amorin, M, Demitri, N, Terraneo, G, Bracco, S, Comotti, A, Sozzani, P, Bezuidenhout, C, Metrangolo, P, Granja, J, Pizzi A., Ozores H. L., Calvelo M., Garcia-Fandino R., Amorin M., Demitri N., Terraneo G., Bracco S., Comotti A., Sozzani P., Bezuidenhout C. X., Metrangolo P., and Granja J. R.

Abstract

A cyclic hexapeptide with three pyridyl moieties connected to its backbone forms a hydrogen-bonded dimer, which tightly encapsulates a single xenon atom, like a pearl in its shell. The dimer imprints its shape and symmetry to the captured xenon atom, as demonstrated by 129Xe NMR spectroscopy, single-crystal X-ray diffraction, and computational studies. The dimers self-assemble hierarchically into tubular structures to form a porous supramolecular architecture, whose cavities are filled by small molecules and gases.

Published
2019

3. Tight Xenon Confinement in a Crystalline Sandwich-like Hydrogen-Bonded Dimeric Capsule of a Cyclic Peptide

Author

Giancarlo Terraneo, Juan R. Granja, Nicola Demitri, Angiolina Comotti, Manuel Amorín, Silvia Bracco, Charl X. Bezuidenhout, Piero Sozzani, Pierangelo Metrangolo, Andrea Pizzi, Rebeca García-Fandiño, Martín Calvelo, Haxel Lionel Ozores, Pizzi, A, Ozores, H, Calvelo, M, Garcia-Fandino, R, Amorin, M, Demitri, N, Terraneo, G, Bracco, S, Comotti, A, Sozzani, P, Bezuidenhout, C, Metrangolo, P, and Granja, J

Subjects
Materials science, Dimer, Shell (structure), Supramolecular chemistry, chemistry.chemical_element, gas confinement, CHIM/04 - CHIMICA INDUSTRIALE, 010402 general chemistry, 01 natural sciences, Catalysis, cyclic peptide, chemistry.chemical_compound, Xenon, Atom, host––guest systems, chemistry.chemical_classification, 010405 organic chemistry, host––guest system, cyclic peptides, General Medicine, General Chemistry, Nuclear magnetic resonance spectroscopy, self-assembly, Cyclic peptide, 0104 chemical sciences, xenon, CHIM/02 - CHIMICA FISICA, Crystallography, chemistry, Self-assembly
Abstract

A cyclic hexapeptide with three pyridyl moieties connected to its backbone forms a hydrogen-bonded dimer, which tightly encapsulates a single xenon atom, like a pearl in its shell. The dimer imprints its shape and symmetry to the captured xenon atom, as demonstrated by 129 Xe NMR spectroscopy, single-crystal X-ray diffraction, and computational studies. The dimers self-assemble hierarchically into tubular structures to form a porous supramolecular architecture, whose cavities are filled by small molecules and gases.

Published
2019

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