Preparation of electrochromic Ni1−xO and TiO2 coatings from pigment dispersions and their application in electrochromic foil based devices

Thin (100–400 nm) electrochromic TiO₂ and Ni_1−xO coatings providing transmissive light modulation were made from an anatase pigment dispersion obtained by co-grinding nanocrystalline titanium particles (6–10 nm in size) with trisilanol heptaisobutylsilsesquioxane as dispersant, while Ni_1−xO based pigment dispersions were made by milling pre-prepared Ni_1−xO pigment with nickel oxyhydroxide (NiO_xH_y) dispersant. Dispersions were obtained by milling the pigments with zirconia beads of various sizes (0.1, 0.2 and 0.4 mm) and the particle size was determined with the dynamic light scattering technique (DLS). Pigment dispersions were deposited by spin-coating on glass and plastic (PET) film and thermally treated at 150 °C to obtain thin TiO₂ and Ni_1−xO pigment coatings. SEM and AFM were used for determination of the surface morphology, revealing their homogenous structure and low surface roughness (up to 20 nm). The optical transmittance and haze of the coatings deposited on glass and PET film were determined from the UV–vis spectra. Their electrochromic effect was analyzed by electrochemical charging/discharging the coatings in a LiClO₄/PC electrolyte. The results demonstrated a convenient, simple and robust technique for making “electrochromic paint” coatings. Pre-prepared TiO₂ and pigments were used for construction of foil-based electrochromic devices with transmissive modulation of light.     

A Molecular-Modeling Toolbox Aimed at Bridging the Gap between Medicinal Chemistry and Computational Sciences

In the current era of high-throughput drug discovery and development, molecular modeling has become an indispensable tool for identifying, optimizing and prioritizing small-molecule drug candidates. The required background in computational chemistry and the knowledge of how to handle the complex underlying protocols, however, might keep medicinal chemists from routinely using in silico technologies. Our objective is to encourage those researchers to exploit existing modeling technologies more frequently through easy-to-use graphical user interfaces. In this account, we present two innovative tools (which we are prepared to share with academic institutions) facilitating computational tasks commonly utilized in drug discovery and development: (1) the VirtualDesignLab estimates the binding affinity of small molecules by simulating and quantifying their binding to the three-dimensional structure of a target protein; and (2) the MD Client launches molecular dynamics simulations aimed at exploring the time-dependent stability of ligand–protein complexes and provides residue-based interaction energies. This allows medicinal chemists to identify sites of potential improvement in their candidate molecule. As a case study, we present the application of our tools towards the design of novel antagonists for the FimH adhesin.     

Properties of organo‐clay/natural rubber nanocomposites: Effects of organophilic modifiers

The effect of various modifiers on the structure and properties of clay/natural rubber nanocomposites are investigated with the aim to evaluate the effect of size and structure of the modifier. Nanocomposites are prepared by melt intercalation method. Mechanical properties of the cured rubber containing nanoclay are compared with the reference compound without the filler. No improvement of mechanical properties is observed for small organic cations; however, stress and strain at break of clay/rubber nanocomposites increase with rising number of octyl chains in the interlayer spaces of organo‐clays. Concerning organo‐cations with the same number of carbon atoms, more effective are the modifiers with several shorter carbon chains compared to those with one long chain. The composites exhibit hybrid structure of nanocomposite and microcomposite as revealed by X‐ray powder diffraction (XRD), transmission electron microscopy (TEM), and scanning electron microscopy (SEM). The details of the structure are supported by DMTA and hysteresis measurements. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Effective Model for Prediction of N2O and NH3 Formation During the Regeneration of NO x Storage Catalyst

In this paper we propose an effective global kinetic model that allows prediction of N₂O and NH₃ formation during the reduction of stored NO _x in dependence on the composition of the rich mixture (H₂/CO/C₃H₆), actual operating temperature, and length of regeneration period. A bench flow reactor equipped with a high-speed FTIR was used to measure dynamic evolution of gas components during periodic lean/rich operation of a fully formulated NSRC catalyst (PtPdRh/Ba/Ce–Zr/Mg–Al/Al₂O₃).     

Nontargeted Lipidomic Characterization of Porcine Organs Using Hydrophilic Interaction Liquid Chromatography and Off-Line Two-Dimensional Liquid Chromatography–Electrospray Ionization Mass Spectrometry

Lipids form a significant part of animal organs and they are responsible for important biological functions, such as semi‐permeability and fluidity of membranes, signaling activity, anti‐inflammatory processes, etc. We have performed a comprehensive nontargeted lipidomic characterization of porcine brain, heart, kidney, liver, lung, spinal cord, spleen, and stomach using hydrophilic interaction liquid chromatography (HILIC) coupled to electrospray ionization mass spectrometry (ESI/MS) to describe the representation of individual lipid classes in these organs. Detailed information on identified lipid species inside classes are obtained based on relative abundances of deprotonated molecules [M?H]^? in the negative‐ion ESI mass spectra, which provides important knowledge on phosphatidylethanolamines and their different forms of fatty acyl linkage (ethers and plasmalogens), phosphatidylinositols, and hexosylceramides containing nonhydroxy‐ and hydroxy‐fatty acyls. The detailed analysis of identified lipid classes using reversed‐phase liquid chromatography in the second dimension was performed for porcine brain to determine more than 160 individual lipid species containing attached fatty acyls of different acyl chain length, double‐bond number, and positions on the glycerol skeleton. The fatty acid composition of porcine organs is determined by gas chromatography with flame ionization detection after the transesterification with sodium methoxide.     

腐植酸的体外作用

腐植酸被认为在动物喂饲试验中对健康和产率具有整体积极作用,同时颇有争议的是,其也被作为肿瘤的病原学因素之一。我们尝试评价斯洛伐克地区特定来源腐植酸在使用推荐预防剂量时的体外作用。研究其体外的抗氧化性质、对肝线粒体中酶系和非酶系抗氧化防御系统的作用以及对人工培养肿瘤细胞株的作用。我们观察到不论腐植酸是溶解于二甲基亚砜(DMSO)或是直接加入呼吸介质中线粒体悬浮液,在腐植酸给药后超氧化物歧化酶(SOD)活性显著下降。所测定的其他抗氧化酶如谷胱甘肽过氧化物酶(GPx)和谷胱甘肽还原酶(GR),其活性及还原型谷胱甘肽(GSH)的含量与对照组相比并未表现出显著变化。腐植酸对超氧阴离子自由基(O2-·)的抑制率低于其对羟自由基(·OH)的抑制率。6种不同肿瘤细胞株的存活率显示出只有急性T淋巴性白血病细胞株对测试腐植酸敏感。尽管在水溶液中溶解度相对较低,但特定来源腐植酸参与了氧化还原调控。通过夺取自由基,腐植酸重置了抗氧化防御机制。来源于自然资源的腐植酸体外研究结果显示出其作为有前景的免疫增强剂的潜力。     

Fabrication of porous mullite-based ceramic bricks from Al-rich water treatment sludge and kaolinitic-based clay

A large quantity of water treatment sludge (WTS) is generated yearly from Ghana's Weija water treatment plant. The sludge contains some heavy metals and other toxic chemicals, which must be managed to minimize environmental impact. In the current work, WTS was mixed with varying quantities of kaolinitic-based clays (kaolin and lithomargic clays) to produce porous mullite-based bricks. The bricks were fired at 1200°C for 1 h, and their properties were determined. Lithomargic clay-based mixtures had less dimensional variation and were suitable to produce near-net shape bricks compared to WTS-based bricks. The addition of WTS increased the linear firing shrinkage and apparent porosity whilst decreasing bulk density and compressive strength. Porous mullite-based bricks fabricated from lithomargic clay exhibited high compressive strength (6.3 MPa) at 10 wt.% WTS addition. The highest apparent porosity of 27% was attained at 40 wt.% WTS addition with compressive strength of 5.1 MPa and thermal conductivity of .5 W/m K.     

"Soft and rigid" dithiols and Au nanoparticles grafting on plasma-treated polyethyleneterephthalate

ABSTRACT: Surface of polyethyleneterephthalate (PET) was modified by plasma discharge and subsequently grafted with dithiols (1, 2-ethanedithiol (ED) or 4, 4'-biphenyldithiol) to create the thiol (-SH) groups on polymer surface. This "short" dithiols are expected to be fixed via one of -SH groups to radicals created by the plasma treatment on the PET surface. "Free" -SH groups are allowed to interact with Au nanoparticles. X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR) and electrokinetic analysis (EA, zeta potential) were used for the characterization of surface chemistry of the modified PET. Surface morphology and roughness of the modified PET were studied by atomic force microscopy (AFM). The results from XPS, FTIR, EA and AFM show that the Au nanoparticles are grafted on the modified surface only in the case of biphenyldithiol pretreatment. The possible explanation is that the "flexible" molecule of ethanedithiol is bounded to the activated PET surface with both -SH groups. On the contrary, the "rigid" molecule of biphenyldithiol is bounded via only one -SH group to the modified PET surface and the second one remains "free" for the consecutive chemical reaction with Au nanoparticle. The gold nanoparticles are distributed relatively homogenously over the polymer surface.     

Properties of differently printed and easy‐care finished linen fabrics

Linen fabrics were printed with reactive dyes, vat dyes and pigments. The prints were cured and after‐treated using conventional processes. Printed and unprinted fabrics were finished with low‐formaldehyde resin in a pad–dry–cure process. The mechanical properties (i.e. mass per unit area, flexural rigidity, tenacity at maximum load, wrinkle recovery angles and air permeability) with characteristics of printed and easy‐care finished fabrics were measured and the mutual influence of printing and finishing on these properties was discussed. Moreover, the colour difference between the finished and unfinished printed samples was measured, and the colour fastness to washing, appearance of fabrics after domestic washing, colour fastness to rubbing and light was compared.     

Thin Film Growth on Quasicrystalline Surfaces

The surfaces of quasicrystals have proved to be a very interesting playground for thin film growth. They offer a complex potential energy surface where heterogeneous nucleation of islands at specific quasilattice sites is frequently observed. These islands tend to locally adopt the symmetry of the quasicrystalline substrate. For some specific adsorbates, a complete 2-dimensional quasiperiodic metal overlayer is even formed. Other interesting phenomena are also observed in the multilayer regime. This includes the formation of novel structures, like 1-dimensional quasiperiodic Cu films or Bi allotropes, the formation of nanoscale crystalline domains with 5-fold rotational epitaxy, or the occurrence of quantum size effects influencing the film morphology. This article presents a short review of some of the achievements in thin film growth on quasicrystalline surfaces that the discovery of quasicrystals by Dan Shechtman has enabled.