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1.
Phys Chem Chem Phys ; 26(14): 11078-11083, 2024 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-38529830

RESUMO

The electronic and magnetic properties of d0 dilute magnetic semiconductors formed by rock-salt structured magnesium oxide (MgO) doped with C are systematically studied based on first-principles calculations and the Ising model. It is shown that the electronic holes of p states are generated due to the impurity carbon replacing oxygen in MgO, and the magnetic moment of 2µB is introduced by each C impurity. The polarization energy and formation energy of C-doped MgO are calculated, and the magnetization energy of C-doped MgO is also calculated which is used to obtain the exchange constant between C impurities. By means of the Ising model, we simulated the magnetization and the susceptibility of the doped system with increasing temperature and obtained the Curie temperature of C-doped MgO.

2.
Phys Chem Chem Phys ; 25(13): 9043-9050, 2023 Mar 29.
Artigo em Inglês | MEDLINE | ID: mdl-36883618

RESUMO

The electronic stopping power of palladium (Pd) for protons is investigated based on time-dependent density functional theory combined with Ehrenfest molecular dynamics simulations. The electronic stopping power of Pd with explicitly considering inner electrons for protons is calculated and the excitation mechanism for the inner electrons of Pd is revealed. The velocity proportionality of the low-energy stopping power of Pd is reproduced. Our study verified that the inner electron excitation contributes significantly to the electronic stopping power of Pd in the high energy range, which is strongly dependent on the impact parameter. The electronic stopping power obtained from the off-channeling geometry is in quantitative agreement with the experimental data in a wide velocity range, and the discrepancy around the stopping maximum is further reduced by considering the relativistic correction on the binding energy of inner electrons. The velocity dependence of the mean steady-state charge of protons is quantified, and the results showed that the participation of 4p-electrons reduces the mean steady-state charge of protons, and consequently decreases the electronic stopping power of Pd in the low energy range.

3.
ACS Appl Bio Mater ; 5(8): 3778-3787, 2022 08 15.
Artigo em Inglês | MEDLINE | ID: mdl-35831781

RESUMO

Sulfonated copolyanilines (SPANs), SPAN-40 and SPAN-75, were prepared and applied in this tissue engineering study. SPAN scaffolds (SPANs) and control group polyaniline (PANI) were synthesized by performing oxidative polymerization. To further research the effects of neuron regeneration, PC12 cells were cultured on as-prepared PANI and SPANs with laminin (La) treatment under electrical stimulation. The effects on PC12 cell differentiation were investigated by controlling the amount of sulfonated groups (-SO3H) in the SPAN chain, the electrical stimulation voltage, and the presence or absence of La coating. The adhesion and proliferation of cells increased with the degree of sulfonation; La and electrical stimulation further promoted neuronal cell differentiation as increased neurite length was demonstrated in the micrograph analyses. In summary, the sulfonated copolyaniline coated with La had the best effect on neuronal differentiation under electrical stimulation, suggesting its potential as a substrate for nerve tissue engineering.


Assuntos
Laminina , Engenharia Tecidual , Compostos de Anilina/farmacologia , Animais , Estimulação Elétrica , Laminina/farmacologia , Células PC12 , Polímeros/farmacologia , Ratos
4.
ACS Biomater Sci Eng ; 3(8): 1527-1534, 2017 Aug 14.
Artigo em Inglês | MEDLINE | ID: mdl-33429639

RESUMO

In this paper, a biomolding technique was first used to fabricate a scaffold of hierarchical topography with biomimetic morphology for tissue engineering. First, poly(ortho-methoxyaniline) (POMA) was synthesized by conventional oxidative polymerization, followed by characterizations with Fourier transform infrared spectroscopy (FTIR) and gel permeation chromatography (GPC). Moreover, the POMA scaffold with 3D biomimetic morphology was fabricated using poly(dimethylsiloxane) (PDMS) as negative soft template from natural leaf surfaces of Xanthosoma sagittifolium, followed by transferring the pattern of PDMS template to POMA. The as-fabricated POMA scaffold with biomimetic morphology was investigated by scanning electron microscopy (SEM). Subsequently, cell-scaffold interactions were carried out by culturing rat neural stem cells (rNSCs) on biomimetic and nonbiomimetic, or flat, POMA scaffolds, as well as on poly(d-lysine) (PDL)-coated substrate, and evaluating the corresponding adhesion, cell viability, and differentiation of rNSCs. Results showed that there was no significant difference in the attachment of rNSCs on the three surface types, however, both the biomimetic and flat POMA scaffolds induced growth arrest relative to the PDL-coated substrate. In addition, the percentage of cells with elongated neurites after 19 days of culture was higher on the biomimetic POMA scaffold relative to flat POMA and PDL. In summary, the POMA scaffold with biomimetic morphology shows promise in promoting rNSCs differentiation and neurite outgrowth for long-term studies on nerve regenerative medicine.

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