Temperature-accelerated molecular dynamics simulation of the evolution of a low-energy incident Cu<Subscript>3</Subscript> cluster on the Cu(100) surface with a monoatomic step

The molecular dynamics simulation of the normal incidence of a Cu₃ cluster with an energy of 0.2–1 eV/atom on a Cu(100) substrate at an equilibrium temperature of 500–700 K is performed. This substrate contains a rectilinear step, whose height is one atomic layer. After 20-ps relaxation of the atomic cluster on the substrate, its further thermally activated motion on the surface is simulated using the method of temperature- accelerated molecular dynamics. The Cu₃ cluster mainly demonstrates rotational-translational motion. The time interval between two successive atomic transitions of the cluster is found to be reduced as the distance to the step is decreased.     

The range of protein hydrolysis and biogenic amines content in selected acid- and rennet-curd cheeses

The aim of this experiment was to assess the range of proteolysis and biogenic amine content in the selected rennet- and acid-curd cheeses available on the Polish market, randomly chosen for the analyses: three ripened hard with eyes cheeses, three ripened hard smooth cheeses, three ripened soft moulded cheeses, three fresh unripened acid-curd cheeses, three ripened acid-curd cheeses with slimming bacteria—fried, and three ripened acid-curd cheeses with smear bacteria. The results allowed calculating the subsequent indexes and depth of proteolysis. It was found that the acid-curd short ripened cheese (harzer) was characterized by the greatest range of proteolysis and the biogenic amine content in comparison to other rennet- and acid-curd cheeses. In the assessed acid- and rennet-curd cheeses, the dominant amines were as follow, cadaverine, tyramine, and putrescine, with the exception of cheddar in which the histamine was predominant.     

The Role of Singlet Oxygen in Photoreactivity and Phototoxicity of Curcumin

Curcumin is a plant-derived yellow-orange compound widely used as a spice, dye and food additive. It is also believed to have therapeutic effects against different disorders. On the other hand, there are data showing its phototoxicity against bacteria, fungi and various mammalian cells. Since the mechanism of its phototoxic action is not fully understood, we investigated here the phototoxic potential of curcumin in liposomal model membranes and in HaCaT cells. First, detection of singlet oxygen (¹O₂) luminescence proved that curcumin generates ¹O₂ upon blue light irradiation in organic solvent and in liposomes. Then, HPLC-EC(Hg) measurements revealed that liposomal and cellular cholesterol is oxidized by ¹O₂ photogenerated by curcumin. Enrichment of liposome membranes with curcumin significantly increased the oxygen photo-consumption rate compared to the control liposomes as determined by EPR oximetry. Cytotoxicity measurements, mitochondrial membrane potential analyses and protein hydroperoxides detection confirmed strong phototoxic effects of curcumin in irradiated HaCaT cells. These data show that since curcumin is advertised as a valuable dietary supplement, or a component of cosmetics for topical use, caution should be recommended especially when skin is exposed to light.     

Iron in typical and atypical parkinsonism – Mössbauer spectroscopy and MRI studies

Iron may play important role in neurodegeneration. The results of comparative studies of human brain areas (control and pathological) performed by Mössbauer spectroscopy (MS) and magnetic resonance imaging (MRI) techniques are presented. Mössbauer spectroscopy demonstrated a higher concentration of iron in atypical parkinsonism (progressive supranuclear palsy PSP) in the brain areas Substantia Nigra (SN) and Globus Pallidus (GP) involved in this pathological process, compared to control, while the concentration of iron in pathological tissues in typical parkinsonism (Parkinson’s disease - PD) did not differ from that in control. These results were compared with the changes in 1/T1 and 1/T2 (T1 and T2 being the relaxation times determined by MRI). A good linear correlation curve was found between the concentration of iron as determined by MS in different areas of control human brains and between 1/T1 and 1/T2. Whereas the finding in PSP-GP (the brain area involved in PSP) also fitted to such a correlation, this was not so for the correlation between pathological SN – the brain area involved in both diseases – and 1/T2, indicating a dependence of T2 on other factors than just the concentration of iron.     

Ferroelastoelectric phenomena in a uniaxial ferroelectric TGS crystal

Possibility of the ferroelastoelectric behavior manifestations in a uniaxial ferroelectric TGS crystal was investigated. Analysis of the spontaneous piezoelectric moduli tensors for each of the 180°-domains formed as a result of the phase transition in TGS revealed possible directions for simultaneous application of the electric field and mechanical stresses to induce the switching effect in TGS. Influence of the uniaxial mechanical stresses σ₁₁, σ₂₂, σ₃₃ on the parameters of saturated and unsaturated dielectric hysteresis loops in TGS is considered. It was found that a nontraditional E ₃σ₁₂ combination of fields may lead to the domain switching in TGS crystals.     

Quantitative comparison of selectivities in the polymerization of cyclic esters

Chain transfer processes (k_tr) taking place in the polymerization (anionic and pseudoanionic) of cyclic esters (lactones) are reviewed. These reactions are mostly responsible for the departure of these systems from the fully controlled (living) polymerizations. The ratios of k_p/k_tr have been determined for a number of initiating systems and the structures of the growing species are related to their selectivity, expressed by k_p/k_tr. It has been shown that the less reactive and more sterically crowded active species polymerize more selectively.     

Differentiation of fluoronitroaniline isomers by negative-ion electrospray mass spectrometry

Tetra- and trifluoronitroanilines were studied by electrospray ionization mass spectrometry. These compounds gave signals only in the negative-ion mode. It was found that the so-called 'in-source' fragmentation, induced by cone voltage increase, enables differentiation of isomers. For para-nitroanilines, in contrast to ortho derivatives, the loss of NO(2) was the most favored process and other fragment ions were characterized by low abundances. For trifluoro conjugates the substitution pattern of aromatic ring by fluorine atoms also affected their fragmentation patterns. For example, in 2,3,6-trifluoro-4-nitroaniline, in contrast to 2,3,5-trifluoro-4-nitroaniline, efficient NO loss, followed by HF loss, took place.     

Secondary ferroic properties of partial mixed ferroelectric ferroelastics

Nineteen types of phase transitions in nonmagnetic crystals that exhibit only partial mixed ferroelectric-ferroelastic properties in the low-temperature phase are analyzed. A crystal-physical method is used to establish that all partial mixed ferroelectric ferroelastics are full ferroelastoelectrics and partial ferrobielastics except for the crystals undergoing the $\overline 4 3m \to 3$ phase transition, which results in the appearance of both full ferroelastoelectric and full ferrobielastic properties. The possible appearance of partial mixed ferroelectric-ferroelastic properties in perovskite-like crystals is discussed.