| 1. |
- Gradisek, Anton, et al.
(författare)
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Study of Liquid Crystals Showing Two Isotropic Phases by H-1 NMR Diffusometry and H-1 NMR Relaxometry
- 2019
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Ingår i: CRYSTALS. - : MDPI. - 2073-4352. ; 9:3
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Tidskriftsartikel (refereegranskat)abstract
- In this work, we report a study of two thermotropic liquid crystalline samples showing a not common mesophase behavior. The samples, namely a di-benzyloxy biphenyl derivative labelled 9/2 RS/RS, and a bimesogenic liquid crystal labelled L1, show a direct transition between two isotropic phases followed, at lower temperatures, by the optically isotropic, 3D structured, cubic phase. These systems have been investigated by means of H-1 NMR diffusometry and H-1 NMR relaxometry in order to characterize their isotropic-isotropic'-cubic mesophase behavior, mainly on the dynamic point of view. In particular, the temperature trend of the self-diffusion coefficients measured for both samples allowed us to significantly distinguish between the two isotropic phases, while the temperature dependence of the H-1 spin-lattice relaxation time (T-1) did not show significant discontinuities at the isotropic-isotropic' phase transition. A preliminary analysis of the frequency-dependence of H-1 T-1 at different temperatures gives information about the main motional processes active in the isotropic mesophases.
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| 2. |
- Imani, Roghayeh, et al.
(författare)
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Multifunctional Gadolinium-Doped Mesoporous TiO2 Nanobeads : Photoluminescence, Enhanced Spin Relaxation, and Reactive Oxygen Species Photogeneration, Beneficial for Cancer Diagnosis and Treatment
- 2017
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Ingår i: Small. - : Wiley. - 1613-6810 .- 1613-6829. ; 13:20
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Tidskriftsartikel (refereegranskat)abstract
- Materials with controllable multifunctional abilities for optical imaging (OI) and magnetic resonant imaging (MRI) that also can be used in photodynamic therapy are very interesting for future applications. Mesoporous TiO2 sub-micrometer particles are doped with gadolinium to improve photoluminescence functionality and spin relaxation for MRI, with the added benefit of enhanced generation of reactive oxygen species (ROS). The Gd-doped TiO2 exhibits red emission at 637 nm that is beneficial for OI and significantly improves MRI relaxation times, with a beneficial decrease in spin-lattice and spin-spin relaxation times. Density functional theory calculations show that Gd3+ ions introduce impurity energy levels inside the bandgap of anatase TiO2, and also create dipoles that are beneficial for charge separation and decreased electron-hole recombination in the doped lattice. The Gd-doped TiO2 nanobeads (NBs) show enhanced ability for ROS monitored via center dot OH radical photogeneration, in comparison with undoped TiO2 nanobeads and TiO2 P25, for Gd-doping up to 10%. Cellular internalization and biocompatibility of TiO2@xGd NBs are tested in vitro on MG-63 human osteosarcoma cells, showing full biocompatibility. After photoactivation of the particles, anticancer trace by means of ROS photogeneration is observed just after 3 min irradiation.
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| 3. |
- Wencka, Magdalena, et al.
(författare)
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Al 27 NMR local study of the Al0.5TiZrPdCuNi alloy in high-entropy alloy and metallic glass forms
- 2022
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Ingår i: Physical Review B. - 2469-9969 .- 2469-9950. ; 105:17
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Tidskriftsartikel (refereegranskat)abstract
- We report a Al27 nuclear magnetic resonance (NMR) local spectroscopic study of the NMR lineshape and Knight shift of a six-component Al0.5TiZrPdCuNi metallic alloy that can be prepared either as a crystalline high-entropy alloy (HEA) or as an amorphous metallic glass (MG) at the same chemical composition. For both structural modifications of the material (HEA and MG), we have determined the distribution of electric-field-gradient (EFG) tensors and the local electronic density of states (DOS) g(ϵF) at the Fermi level at the position of Al27 nuclei. A theoretical I=52 quadrupole-perturbed NMR spectrum, pertinent to both cubic HEAs and amorphous MGs, has been derived using the Gaussian isotropic model of the EFG tensor distribution, and excellent fits of the experimental spectra were obtained. The EFG distribution function of the MG state is about twice broader than that of the HEA state, reflecting the existence of a (distorted) crystal lattice in the latter and its absence in the former. The T2 dependence of the Knight shift indicates that the DOS is changing rapidly with energy within the Fermi level region for both structural modifications. The local DOS at the Al27 sites of the HEA sample is ∼10% larger than that of the MG state, indicating comparable degrees of disorder.
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