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Poznań, Poland

Ventura J.,University of Barcelona | Polo M.C.,University of Barcelona | Ferrater C.,University of Barcelona | Hernandez S.,University of Barcelona | And 6 more authors.
Applied Surface Science | Year: 2016

The isovalent susbstitution of Ti4+ by Zr4+ in BaZrxTi1-xO3 modifies the dielectric character of ferroelectric BaTiO3 yielding different behaviours such as relaxor, polar cluster, etc. The dynamic coupling between BaTiO3 polar nanoregions and BaZrO3 nonpolar ones as well as microstrain between them are thought to be behind such a rich phase diagram. However, these short-range compositonal variations are elusive to detect and this topic is thus rarely addressed. We have grown epitaxial thin films of BaZrxTi1-xO3 on (001)-oriented SrTiO3 substrates by pulsed laser deposition sweeping the entire composition range between BaTiO3 and BaZrO3 in increments of 0.1 in x. Several characterization techniques (AFM, TEM, XRD, Raman spectroscopy) were used for this research in order to understand the morphological and structural properties of the deposited films. Ellipsometric measurements allowed the calculation of the band gap energy of the films. This work demonstrates the existence of a heterogeneous distribution in the substitution of titanium by zirconium yielding relaxor and polar cluster nanoregions. © 2015 Elsevier B.V.

Tarnacka M.,University of Silesia | Adrjanowicz K.,University of Silesia | Adrjanowicz K.,Nanobiomedical Center | Kaminska E.,University of Silesia | And 11 more authors.
Physical Chemistry Chemical Physics | Year: 2013

Comprehensive molecular dynamics studies of vitrified and cryogrounded itraconazole (Itr) were performed at ambient and elevated pressure. DSC measurements yielded besides melting and glass transition observed during heating and cooling of both samples two further endothermic events at around T = 363 K and T = 346 K. The nature of these transitions was investigated using X-ray diffraction, broadband dielectric spectroscopy and Density Functional Theory calculations. The X-ray measurements indicated that extra ordering in itraconazole is likely to occur. Based on calculations and theory derived by Letz et al.15 the transition observed at T = 363 K was discussed in the context of formation of the nematic mesophase. In fact, additional FTIR measurements revealed that order parameter variation in Itr shows a typical sequence of liquid crystal phases with axially symmetric orientational order; i.e. a nematic phase in the temperature range 361.7 K to 346.5 K and a smectic A phase below 346.5. Moreover, dielectric measurements demonstrated that except for the structural relaxation process, there is also slower mode above the glass transition temperature in both vitrified and cryogrounded samples. We considered the origin of this mode taking into account DFT calculations, rod like shape of itraconazole and distribution of its dipole moment vectors. For the dielectric data collected at elevated pressure, evolution of the steepness index versus pressure was determined. Finally, the pressure coefficient of the glass transition temperature was evaluated to be equal to 190 K GPa -1. © 2013 the Owner Societies.

Tarnacka M.,University of Silesia | Madejczyk O.,University of Silesia | Adrjanowicz K.,Nanobiomedical Center | Pionteck J.,Leibniz Institute of Polymer Research | And 3 more authors.
Journal of Chemical Physics | Year: 2015

Pressure-Volume-Temperature (PVT) measurements and broadband dielectric spectroscopy were carried out to investigate molecular dynamics and to test the validity of thermodynamic scaling of two homologous compounds of pharmaceutical activity: itraconazole and ketoconazole in the wide range of thermodynamic conditions. The pressure coefficients of the glass transition temperature (dTg/dp) for itraconazole and ketoconazole were determined to be equal to 183 and 228 K/GPa, respectively. However, for itraconazole, the additional transition to the nematic phase was observed and characterized by the pressure coefficient dTn/dp = 258 K/GPa. From PVT and dielectric data, we obtained that the liquid-nematic phase transition is governed by the relaxation time since it occurred at constant τ α = 10-5 s. Furthermore, we plotted the obtained relaxation times as a function of T-1v-γ, which has revealed that the validity of thermodynamic scaling with the γ exponent equals to 3.69 ± 0.04 and 3.64 ± 0.03 for itraconazole and ketoconazole, respectively. Further analysis of the scaling parameter in itraconazole revealed that it unexpectedly decreases with increasing relaxation time, which resulted in dramatic change of the shape of the thermodynamic scaling master curve. While in the case of ketoconazole, it remained the same within entire range of data (within experimental uncertainty). We suppose that in case of itraconazole, this peculiar behavior is related to the liquid crystals' properties of itraconazole molecule. © 2015 AIP Publishing LLC.

Sterczynska A.,Nanobiomedical Center | Sterczynska A.,Adam Mickiewicz University | Derylo-Marczewska A.,Maria Curie Sklodowska University | liwinska-Bartkowiak M.,Adam Mickiewicz University | And 5 more authors.
Journal of Thermal Analysis and Calorimetry | Year: 2014

We report the melting behaviour of a dipolar cyclic siloxane liquid: octamethylcyclotetrasiloxane (OMCTS) confined in three mesoporous silica matrices: Al-SBA-15, SBA-15 and CPG glasses, using differential scanning calorimetry and dielectric spectroscopy. We investigate the influence of acid sites on the adsorptive properties of mesoporous silica materials, which were synthesized by applying Pluronic-type polymers as pore-creating agents. Aluminosilicate matrices have been synthesized by direct synthesis procedure using aluminium chloride. These materials characterized by N2sorption measurements, and the small-angle X-ray scattering data exhibit the same hexagonal P6 mm structure with a mean mesopores size of 4.6 nm (Al-SBA-15) and 4.9 nm (SBA-15). The controlled pore glasses used in this experiment have pores of mean diameter of 7.5 nm. For all systems studied, the OMCTS melting point in pores has been found to decrease with decreasing pore diameter. This result is in qualitative agreement with that obtained in molecular simulation where the adsorbate-wall interactions are weak compared to the adsorbate-adsorbate interactions. © 2014 The Author(s).

Siuzdak K.,Szewalski Institute of Fluid Flow Machinery | Sawczak M.,Szewalski Institute of Fluid Flow Machinery | Klein M.,Szewalski Institute of Fluid Flow Machinery | Klein M.,Technical University of Gdansk | And 3 more authors.
Physical Chemistry Chemical Physics | Year: 2014

We report on the preparation method of nanocrystalline titanium dioxide modified with platinum by using nanosecond laser ablation in liquid (LAL). Titania in the form of anatase crystals has been prepared in a two-stage process. Initially, irradiation by laser beam of a titanium metal plate fixed in a glass container filled with deionized water was conducted. After that, the ablation process was continued, with the use of a platinum target placed in a freshly obtained titania colloid. In this work, characterization of the obtained nanoparticles, based on spectroscopic techniques-Raman, X-ray photoelectron and UV-vis reflectance spectroscopy-is given. High resolution transmission electron microscopy was used to describe particle morphology. On the basis of photocatalytic studies we observed the rate of degradation process of methylene blue (MB) (a model organic pollution) in the presence of Pt modified titania in comparison to pure TiO2-as a reference case. Physical and chemical mechanisms of the formation of platinum modified titania are also discussed here. Stable colloidal suspensions containing Pt modified titanium dioxide crystalline anatase particles show an almost perfect spherical shape with diameters ranging from 5 to 30 nm. The TiO2 nanoparticles decorated with platinum exhibit much higher (up to 30%) photocatalytic activity towards the degradation of MB under UV illumination than pure titania. This journal is © the Partner Organisations 2014.

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