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od 2020-09-20 |
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Computer simulation of microphase separation in ionic copolymers The formation of lamella microphases in symmetric neutral-ionic block copolymers has been investigated by constant volume-constant temperature (NVT) molecular-dynamics computer simulations using a generic coarse-grain model. Computations of counterion diffusion, pressure tensor, and the anisotropy of the structure factor are used to characterize the order-disorder transition (ODT). There is strong counterion condensation on the ionic blocks at temperatures well above the ODT; this creates a slight imbalance in the volume composition of the two blocks and results in a perforated lamella structure in the microphase. Below the ODT counterion diffusion is decoupled from the chain motions but is strongly anisotropic due to the microphase morphology. The high counterion diffusional mobility is discussed in terms of the relatively low value of the glass transition for the ionic blocks. [S1063-651X(99)05711-6].
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Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 60(5), 5753-5756, (1999) |
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Molecular dynamics in solid anhydrous beta-estradiol studied by 1H NMR Proton second moment and spin-lattice relaxation times T-1 and T-1p in solid anhydrous beta-estradiol are measured as a function of temperature. The results show that the C-3 reorientation of the single methyl group provides the mechanism dominating relaxation at low temperatures and reveal the existence of a conformational motion of the carbon skeleton dominating relaxation at high temperatures. The activation energies of the respective motions are found to be 9.3 and 37.3 kT/mol.
(C) 1999 Elsevier Science B.V. All rights reserved. |
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Solid State Nuclear Magnetic Resonance, 14(2), 91-94, (1999) |
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Nuclear magnetic relaxation study of carbon-13 in di-pentyl phthalate Spin-lattice relaxation times T-1 and nuclear Overhauser enhancement factors of chemically non-equivalent carbons in di-pentyl phthalate (DPP), a simple glass-forming liquid, are measured as functions of temperature. The analysis shows that the correlation function describing the overall molecular dynamics in DPP can be well described in terms of an asymmetric distribution of correlation times predicted by the Davidson-Cole model. The distribution parameters beta of the successive chain carbons are derived and analysed in terms of internal motions occurring in DPP.
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Journal of Physics-Condensed Matter, 11(19), 3907-3914, (1999) |
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The appraisal of the scope for the application of nuclear magnetic resonance (NMR) measurement methods for the estimation of the biological age in various stages of human ontogeny The main objective of the study is to find a new physical parameter meeting the criterion of the biological age estimation in various stages of human ontogeny, and thus to find a new research methodology for this fields of research. For this purpose an NMR Bruker 200 MHz spectrometer was used. Two physical parameters: relaxation time (T1) and spectrum shape were determined. The research material was oral mucosa epithelium sampled in a group of young people of both sexes (31 subjects) and in a group of men (18 subjects). Relaxation time (T1) and spectrum shape were recorded for hydrogen nuclei (1H). The physical phenomena were analyzed statistically (regression analysis) and their biological interpretation was attempted.
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Variability and Evolution, 7, 87-98, (1999) |
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Zaktualizowano: podstrony 2021-06-21 / bazę danych: 2024-04-23 by Webmaster: Zbigniew Fojud