Design,synthesis and activity evaluation of mannose-based DC-SIGN antagonists

In this article, we describe the design, synthesis and activity evaluation of glycomimetic DC-SIGN antagonists, that use a mannose residue to anchor to the protein carbohydrate recognition domain (CRD). The molecules were designed from the structure of the known pseudo-mannobioside antagonist 1, by including additional hydrophobic groups, which were expected to engage lipophilic areas of DC-SIGN CRD. The results demonstrate that the synthesized compounds potently inhibit DC-SIGN-mediated adhesion to mannan coated plates. Additionally, in silico docking studies were performed to rationalize the results and to suggest further optimization.     

Solvent Effects on the Structure-Property Relationship of Some Potentially Pharmacologically Active 3-(4-Substituted Benzyl)-5-Ethyl-5-Phenyl- and 3-(4-Substituted Benzyl)-5,5-Diphenylhydantoins

Two series of 3-(4-substituted benzyl)-5-ethyl-5-phenyl- and 3-(4-substituted benzyl)-5,5-diphenylhydantoins were synthesized and their UV absorption spectra were recorded in the region 200–400 nm in selected solvents of different polarity. The effects of solvent dipolarity/polarizability and solvent/solute hydrogen bonding interactions on the spectral shifts were analyzed by means of the linear solvation energy relationship (LSER) methodology of Kamlet and Taft. The quantitative relationships between hydrogen bonding interactions and the lipophilicity and blood-brain permeation of the studied compounds were discussed. Satisfactory linear dependences were obtained for moderate electron-donating and electron-withdrawing substituents at the benzyl moiety, while the strong electron-withdrawing substituent (NO₂) significantly modifies the solvation characteristics of the molecule. The paper clearly demonstrates how the solvatochromic comparison method may be applied to estimate the contributions of various modes of solvation to the pharmaceutically relevant properties of these newly synthetized hydantoin derivatives.     

Thermal and luminescent properties of Eu2+-doped aluminates prepared by the sol–gel method

Alkaline earth aluminates with the overall nominal compositions Ca_0.5Sr_0.5Al₂O₄, Ca_0.5Mg_0.5Al₂O₄ and Mg_0.5Sr_0.5Al₂O₄ doped with 1 mol% of Eu²⁺ ions were prepared by the modified aqueous sol–gel method. The thermal behaviour of the xerogels was studied by the TG/DSC-MS technique under an argon and a reductive atmosphere (Ar/H₂–5 %). Appropriate luminescent efficiency of the materials was achieved after annealing at temperatures lower than those in conventional solid state reactions. All three aluminates are mixtures of at least two phases; the monoclinic phase of CaAl₂O₄, the hexagonal phase of SrAl₂O₄ and the cubic phase of MgAl₂O₄ were identified. Solid solubility was recognised in the Ca_0.5Sr_0.5Al₂O₄:Eu²⁺ composition due to the similar ionic radii of Ca²⁺ and Sr²⁺. UV excited luminescence was observed in the blue region (λ_max = 441 nm) in the aluminates containing the monoclinic phase of CaAl₂O₄ and in the green region (λ_max = 520 nm) in the Mg_0.5Sr_0.5Al₂O₄:Eu²⁺ composition.     

The electrochemical behavior of PtRu- and Pt-modified zeolite X in alkaline solution

Zeolite NaX was modified by Pt and Pt/Ru nanodispersed metallic clusters. The procedure of impregnation with acetylacetonate salt/acetone solution was applied. Scanning electron microscope analysis confirmed partial zeolite framework destruction. According to energy dispersive X-ray analysis, Pt/Ru ratio in sample was about 1. Electrochemical behavior of PtRu- and Pt-modified zeolites was investigated in alkaline solutions, 5 mM NaOH?+?1 M Na₂SO₄ and 0.1 M NaOH. The shape of cyclic voltammograms of 13XPtRu electrode, recorded in slightly alkaline solution, was greatly affected by the presence of hydrogen that remained in the sample after synthetic procedure. Oxygen reduction reaction (ORR) was investigated in an O₂-saturated aqueous 0.1-M NaOH solution. The obtained Tafel slopes indicated ORR mechanism that involves one-electron discharge-determining step. According to Koutecky–Levich slope, the oxygen reduction reaction followed 4e^? mechanism on both 13XPtRu and 13XPt electrode. The onset of ORR on 13XPtRu electrode was shifted toward more positive potentials in comparison to 13XPt electrode.     

Hydrogen bonding topology influences gelating properties of malonamides

Preparation, structural characterisation and topology of hydrogen bonding networks of bis(phenylglycinol)malonamide, as well as its Cα mono- and dialkyl-substituted derivatives are described. Their hydrogen bonding motifs are described in view of their gelling properties. Topology of hydrogen bonding typical of malonamide gelators is compared with those of well-examined oxalamide gelators.     

On the Well-Posedness and Scattering for the Gross–Pitaevskii Hierarchy via Quantum de Finetti

We prove the existence of scattering states for the defocusing cubic Gross–Pitaevskii (GP) hierarchy in \({\mathbb{R}^3}\) . Moreover, we show that an exponential energy growth condition commonly used in the well-posedness theory of the GP hierarchy is, in a specific sense, necessary. In fact, we prove that without the latter, there exist initial data for the focusing cubic GP hierarchy for which instantaneous blowup occurs.     

Isotope analyses of the lake sediments in the Plitvice Lakes,Croatia

The analyses of radioactive isotopes ¹⁴C, ¹³⁷Cs and ²¹⁰Pb, and stable isotope ¹³C were performed in the sediment cores, top 40 cm, taken in 2011 from karst lakes Pro??e and Kozjak in the Plitvice Lakes National Park, central Croatia. Frozen sediment cores were cut into 1 cm thick layers and dried. ¹⁴C activity in both carbonate and organic fractions was measured using accelerator mass spectrometry technique with graphite synthesis. ¹³⁷Cs, ²¹⁰Pb, ²¹⁴Pb and ²¹⁴Bi were measured by low level gamma spectrometry method on ORTECHPGe detector with the efficiency of 32%. Distribution of ¹⁴C activity from both lakes showed increase of the ¹⁴C activity in the top 10–12 cm in both carbonate and organic fractions as a response to thermonuclear bomb-produced ¹⁴C in the atmosphere in the sixties of the 20th century. Anthropogenically produced ¹³⁷Cs was also observed in sediment profiles. Sedimentation rates for both lake sediments were estimated based on the unsupported ²¹⁰Pb activity. Different ¹⁴C activity of the carbonate fraction (63–80 pMC, percent of modern carbon) and organic fraction (82–93 pMC) is the result of geochemical and biological processes of the sediment precipitation in the lake waters. This is also confirmed by the δ ¹³ C values of both fractions. Carbon isotope composition, a ¹⁴ C and δ ¹³ C, was compared with the lake sediments from the same lakes collected in 1989 and 2003.     

Study on quench effects in liquid scintillation counting during tritium measurements

Quench effects can cause a serious reduction in counting efficiency for a given sample/cocktail mixture in liquid scintillation counting (LSC) experiments. This paper presents a simple experiment performed in order to test the influence of quenching on the LSC efficiency of ³H. The aim of this study was to investigate the behavior of several quench agents with different quench strengths (nitromethane, nitric acid, acetone, dimethyl-sulfoxide) added in different amounts to tritiated water in order to obtain standard sets for quench calibration curves. The OptiPhase HiSafe 2 and OptiPhase HiSafe 3 scintillation cocktails were used in this study in order to compare their quench resistance. Measurements were performed using a low-level LS counter (Wallac, Quantulus 1220).     

Photocatalytic air-cleaning using TiO2 nanoparticles in porous silica substrate

For air-cleaning, TiO₂ photocatalysis represents one of the very efficient advanced oxidation processes (AOPs) that can decompose chemically and microbiologically stable volatile organic compounds (VOCs). However, the photocatalytic activity of nanocrystalline TiO₂ powders can be significantly suppressed due to TiO₂’s poor adsorption characteristics for organic compounds and its relatively low surface area. The present study sought to solve this problem by immobilising nanocrystalline TiO₂ in the porous silicate substrate. Two titania sources were used in an aqueous solution form: a suspension from a TiO₂ producer in Slovenia, Cinkarna Celje (CC-40) and a TiO₂ sol, prepared by a low-temperature synthesis developed at the University of Nova Gorica (TiO₂-UNG). Two different types of mesoporous silica were used: SBA-15 with an ordered hexagonal pore arrangement and KIL-2 with disordered inter-particle mesoporosity. The structural characteristics, adsorption properties and photocatalytic activity of catalysts deposited on aluminium plates as thin films were investigated. CC-40 exhibited higher adsorption and photocatalytic activity than TiO₂-UNG due to the greater quantity of Ti-OH groups on its surface. The addition of mesoporous silica led to higher adsorption and catalytic activity for both TiO₂ sources. SBA-15 was more efficient than KIL-2.     

Thermochemistry of Gd2BaCuO5 and LuBa2Cu3Ox

Solution calorimetry, using 6.0 M HCl as a solvent, is used to study the thermochemistry of Gd2BaCuO5 and the high-temperature superconductor LuBa2Cu3O6.92. For the first time, the standard formation enthalpies of these phases have been determined as follows: DeltafH(o)(Gd2BaCuO 5, s, 298.15 K) = -2618.6 +/- 7.4 kJ/mol; DeltafH(o)(LuBa2Cu3O6.92, s, 298.15 K) = -2693.1 +/- 11.9 kJ/mol. The thermodynamic stability at room temperature has been assessed. The results show that Gd211 and Lu123 are thermodynamically stable with respect to binary oxides and unstable with respect to interaction with CO 2 at ambient temperatures. Lu123 is thermodynamically stable with respect to assemblages containing combinations of Lu2O3, CuO, and BaCuO2 and thermodynamically unstable with respect to interactions with water.