Unsymmetrical Trifluoromethyl Methoxyphenyl β-Diketones: Effect of the Position of Methoxy Group and Coordination at Cu(II) on Biological Activity

Copper(II) complexes with 1,1,1-trifluoro-4-(4-methoxyphenyl)butan-2,4-dione (HL1) were synthesized and characterized by elemental analysis, FT-IR spectroscopy, and single crystal X-ray diffraction. The biological properties of HL1 and cis-[Cu(L1)₂(DMSO)] (3) were examined against Gram-positive and Gram-negative bacteria and opportunistic unicellular fungi. The cytotoxicity was estimated towards the HeLa and Vero cell lines. Complex 3 demonstrated antibacterial activity towards S. aureus comparable to that of streptomycin, lower antifungal activity than the ligand HL1 and moderate cytotoxicity. The bioactivity was compared with the activity of compounds of similar structures. The effect of changing the position of the methoxy group at the aromatic ring in the ligand moiety of the complexes on their antimicrobial and cytotoxic activity was explored. We propose that complex 3 has lower bioavailability and reduced bioactivity than expected due to strong intermolecular contacts. In addition, molecular docking studies provided theoretical information on the interactions of tested compounds with ribonucleotide reductase subunit R2, as well as the chaperones Hsp70 and Hsp90, which are important biomolecular targets for antitumor and antimicrobial drug search and design. The obtained results revealed that the complexes displayed enhanced affinity over organic ligands. Taken together, the copper(II) complexes with the trifluoromethyl methoxyphenyl-substituted β-diketones could be considered as promising anticancer agents with antibacterial properties.     

Amphiphilic polymer brush in a mixture of incompatible liquids

An analogue of the Alexander‐DeGennes box model is used for theoretical investigation of polymer brushes in a mixture of two solvents. The basic solvent A and the admixture B are assumed to be highly incompatible (Flory‐Huggins parameter χ_AB = 3.5). Thermodynamics of a polymer in the solvents A and B are described by parameters χ_B < χ_A ≤ 1/2. The equilibrium behavior of a brush is investigated in dependence on solvent composition, grafting density, polymer‐solvents and solvent‐solvent interactions. The possibility of a phase transition related with a strong preferential solvation of a brush by a minor solvent component with higher affinity to polymer is shown and examined. Microphase segregation inside a brush is also demonstrated despite overestimating of the brush homogeneity given by the box model. A further simplification of the model permits to obtain scaling formulas and to investigate main regularities in the brush behavior. This offers a clear physical picture of the phase segregation inside a brush in correlation with the phase state of a bulk solvent.     

Mixed supercrystalline structures in mixtures of ABC triblock and ab(bc) diblock copolymers, 2. Lamellar structures in tricomponent mixtures

The theory of lamellar superstructures in ternary mixtures of ab and bc diblock and linear ABC triblock copolymers under the condition of strong segregation between chemically different blocks is developed. This system is considered using Alexander‐de Gennes (box) and self‐consistent field (SCF) models. The theory predicts the possibility of phase segregation in the microphase‐segregated superstructures. It is shown that the ABC triblock copolymer has unlimited capacity with respect to ab and bc diblock copolymers which include cooperatively into mixed lamella.     

Cellular detonations in bidispersed gas-particle mixtures

Formation of cellular detonation in bi-fractional stoichiometric mixtures of aluminum particles and oxygen is investigated numerically. The detonation cell size depends on the particle diameters and relative concentration of the fractions. Certain degeneration of cellular detonation is obtained when compared to the monodisperse mixtures. It is characterized by maximal pressure decrease, transverse wave relaxation and detonation front rectification. Complete degeneration of cellular detonations and stable propagation of a plane detonation front is found in some bi-fractional mixtures. The numerical results are confirmed by acoustic analysis of the detonation structures. This paper is based on work that was presented at the 21st International Colloquium on the Dynamics of Explosions and Reactive Systems, Poitiers, France, July 23–27, 2007.     

Proteomic Signature of Extracellular Vesicles for Lung Cancer Recognition

The proteins of extracellular vesicles (EVs) that originate from tumors reflect the producer cells’ proteomes and can be detected in biological fluids. Thus, EVs provide proteomic signatures that are of great interest for screening and predictive cancer diagnostics. By applying targeted mass spectrometry with stable isotope-labeled peptide standards, we assessed the levels of 28 EV-associated proteins, including the conventional exosome markers CD9, CD63, CD81, CD82, and HSPA8, in vesicles derived from the lung cancer cell lines NCI-H23 and A549. Furthermore, we evaluated the detectability of these proteins and their abundance in plasma samples from 34 lung cancer patients and 23 healthy volunteers. The abundance of TLN1, TUBA4A, HSPA8, ITGB3, TSG101, and PACSIN2 in the plasma of lung cancer patients was measured using targeted mass spectrometry and compared to that in plasma from healthy volunteers. The most diagnostically potent markers were TLN1 (AUC, 0.95), TUBA4A (AUC, 0.91), and HSPA8 (AUC, 0.88). The obtained EV proteomic signature allowed us to distinguish between the lung adenocarcinoma and squamous cell carcinoma histological types. The proteomic cargo of the extracellular vesicles represents a promising source of potential biomarkers.     

Optimal control of a two-body limbless crawler along a rough horizontal straight line

Nonlinear Dynamics - An optimal control problem is solved for a two-body limbless locomotor crawling along a straight line on a horizontal rough plane. Coulomb’s dry friction acts between the...     

Molecular and Supramolecular Structures of Triiodides and Polyiodobismuthates of Phenylenediammonium and Its N,N-dimethyl Derivative

Despite remarkable progress in photoconversion efficiency, the toxicity of lead-based hybrid perovskites remains an important issue hindering their applications in consumer optoelectronic devices, such as solar cells, LED displays, and photodetectors. For that reason, lead-free metal halide complexes have attracted great attention as alternative optoelectronic materials. In this work, we demonstrate that reactions of two aromatic diamines with iodine in hydroiodic acid produced phenylenediammonium (PDA) and N,N-dimethyl-phenylenediammonium (DMPDA) triiodides, PDA(I₃)₂⋅2H₂O and DMPDA(I₃)I, respectively. If the source of bismuth was added, they were converted into previously reported PDA(BiI₄)₂⋅I₂ and new (DMPDA)₂(BiI₆)(I₃)⋅2H₂O, having band gaps of 1.45 and 1.7 eV, respectively, which are in the optimal range for efficient solar light absorbers. All four compounds presented organic–inorganic hybrids, whose supramolecular structures were based on a variety of intermolecular forces, including (N)H⋅⋅⋅I and (N)H⋅⋅⋅O hydrogen bonds as well as I⋅⋅⋅I secondary and weak interactions. Details of their molecular and supramolecular structures are discussed based on single-crystal X-ray diffraction data, thermal analysis, and Raman and optical spectroscopy.     

Novel drug delivery systems based on the complexes of block ionomers and surfactants of opposite charge

In this paper we have evaluated a novel family of polymer-surfactant complexes formed between block ionomers and oppositely charged surfactants. Complexes between cationic copolymer poly(ethylene oxide)-g-polyethyleneimine (PEO-g-PEI) and sodium salt of oleic acid, natural nontoxic surfactant, are prepared and characterized. These systems self-assemble in aqueous solutions into particles with average size of 50–60 nm, which can solubilize hydrophobic dyes (Yellow OB) and drug molecules (paclitaxel). The use of the biologically active surfactants as components of block ionomer complexes is demonstrated for the complexes from PEO-g-PEI and all-trans-retinoic acid. Binding of relatively soluble drugs with block ionomers is illustrated using PEO-b-poly(sodium methacrylate) and doxorubicin. Overall these studies suggest that block ionomer complexes can be used to prepare a variety of soluble and stable formulations of biologically active compounds, and have potential application as drug delivery systems     

A Multipole Method for the Rapid Solution of the Stationary Linearized Stokes System

Here we will show how the multipole method can be used for the questions connected with the hydrodynamical potentials. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)