Supplementary data for the article: Ciura, K.; Fedorowicz, J.; Andrić, F.; Greber, K. E.; Gurgielewicz, A.; Sawicki, W.; Saczewski, J. Lipophilicity Determination of Quaternary (Fluoro)Quinolones by Chromatographic and Theoretical Approaches. International Journal of Molecular Sciences 2019, 20 (21). https://doi.org/10.3390/ijms20215288

Supplementary material for: [https://doi.org/10.3390/ijms20215288]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/3740

Temperature dependence of the Kondo resonance and its satellites in CeCu_2Si_2

We present high-resolution photoemission spectroscopy studies on the Kondo resonance of the strongly-correlated Ce system CeCu$_2$Si$_2$. Exploiting the thermal broadening of the Fermi edge we analyze position, spectral weight, and temperature dependence of the low-energy 4f spectral features, whose major weight lies above the Fermi level $E_F$. We also present theoretical predictions based on the single-impurity Anderson model using an extended non-crossing approximation (NCA), including all spin-orbit and crystal field splittings of the 4f states. The excellent agreement between theory and experiment provides strong evidence that the spectral properties of CeCu$_2$Si$_2$ can be described by single-impurity Kondo physics down to $T \approx 5$ K.Comment: 4 pages, 3 figure

A duality of generalized metric spaces

AbstractWe develop a duality theory for Lawvereʼs generalized metric spaces that extends the Lawson duality for continuous dcpos and open filter reflecting maps: we prove that the category of relatively cocomplete and continuous [0,∞]-categories considered with open filter reflecting maps is self-dual

Lipophilicity determination of quaternary (Fluoro)quinolones by chromatographic and theoretical approaches

Lipophilicity is a vital physicochemical parameter of a molecule, which affects several biological processes such as absorption, tissue distribution, and pharmacokinetic properties. In this study, evaluation of lipophilicities of a series of novel fluoroquinolone-Safirinium dye hybrids using chromatographic and computational methods is presented. Fluoroquinolone-Safirinium dye hybrids have been synthesized as new dual-acting hydrophilic antibacterial agents. Reversed phase thin-layer chromatography and micellar electrokinetic chromatography experiments were carried out. Furthermore, logP values of the target structures were predicted by means of different software platforms and algorithms. In order to assess similarities and dissimilarities of the obtained lipophilicity indexes, cluster analysis and sum of ranking differences were performed. The significant differences of calculated logP values (α = 0.05, p < 0.001) indicated that an experimental approach is necessary for lipophilicity prediction of this class of antibiotics. Chromatographic data indicated that the newly synthesized hybrid (fluoro)quinolone-based quaternary ammonium derivatives show less lipophilic character than the parent (fluoro)quinolones. Additionally, the chromatographically obtained lipophilicity indexes were evaluated for possible application in quantitative retention–activity relationships. The established lipophilicity models have the potential to predict antimicrobial activities of a series of quaternary (fluoro)quinolones against Bacillus subtilis, Escherichia coli, and Proteus vulgaris.Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3741

Supplementary data for the article: Ciura, K.; Fedorowicz, J.; Andrić, F.; Greber, K. E.; Gurgielewicz, A.; Sawicki, W.; Saczewski, J. Lipophilicity Determination of Quaternary (Fluoro)Quinolones by Chromatographic and Theoretical Approaches. International Journal of Molecular Sciences 2019, 20 (21). https://doi.org/10.3390/ijms20215288

Supplementary material for: [https://doi.org/10.3390/ijms20215288]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/3740

Differential Photoelectron Holography: A New Approach for Three-Dimensional Atomic Imaging

We propose differential holography as a method to overcome the long-standing forward-scattering problem in photoelectron holography and related techniques for the three-dimensional imaging of atoms. Atomic images reconstructed from experimental and theoretical Cu 3p holograms from Cu(001) demonstrate that this method suppresses strong forward-scattering effects so as to yield more accurate three-dimensional images of side- and back-scattering atoms.Comment: revtex, 4 pages, 2 figure

Genetically encoded sender-receiver system in 3D mammalian cell culture

Engineering spatial patterning in mammalian cells, employing entirely genetically encoded components, requires solving several problems. These include how to code secreted activator or inhibitor molecules and how to send concentration-dependent signals to neighboring cells, to control gene expression. The Madin-Darby Canine Kidney (MDCK) cell line is a potential engineering scaffold as it forms hollow spheres (cysts) in 3D culture and tubulates in response to extracellular hepatocyte growth factor (HGF). We first aimed to graft a synthetic patterning system onto single developing MDCK cysts. We therefore developed a new localized transfection method to engineer distinct sender and receiver regions. A stable reporter line enabled reversible EGFP activation by HGF and modulation by a secreted repressor (a truncated HGF variant, NK4). By expanding the scale to wide fields of cysts, we generated morphogen diffusion gradients, controlling reporter gene expression. Together, these components provide a toolkit for engineering cell-cell communication networks in 3D cell culture.Facultad de Ciencias Exacta

Electron-phonon coupling induced pseudogap and the superconducting transition in Ba0.67K0.33BiO3

We study the single particle density of states (DOS) across the superconducting transition (Tc = 31 K) in single-crystal Ba0.67K0.33BiO3 using ultrahigh resolution angle-integrated photoemission spectroscopy. The superconducting gap opens with a pile-up in the DOS, Delta(5.3 K) = 5.2 meV and 2Delta(0)/kBTc = 3.9. In addition, we observe a pseudogap below and above Tc, occurring as a suppression in intensity over an energy scale up to the breathing mode phonon(~ 70 meV). The results indicate electron-phonon coupling induces a pseudogap in Ba0.67K0.33BiO3.Comment: 5 pages with 4 figures, submitted to Phys. Rev. Let

Quasicrystals and their approximants in 2D ternary oxides

2D oxide quasicrystals (OQCs) are recently discovered aperiodic, but well-ordered oxide interfaces. In this topical review, an introduction to these new thin-film systems is given. The concept of quasicrystals and their approximants is explained for BaTiO3 - and SrTiO3 - derived OQCs and related periodic structures in these 2D oxides. In situ microscopy unravels the high-temperature formation process of OQCs on Pt(111). The dodecagonal structure is discussed regarding tiling statistics and tiling decoration based on the results of atomically resolved scanning tunneling microscopy and various diffraction techniques. In addition, angle-resolved ultraviolet photoemission spectroscopy and X-ray photoelectron spectroscopy results prove a metallic character of the 2D oxide