The investigation of molecular affinity involved in poly(ethylene glycol)-based polymer-dispersed liquid crystal display

Acrylic polyethylene glycol(PEG)-based polymer-dispersed liquid crystal (PDLC) films have been fabricated to investigate the effect of intermolecular interactions on PDLC performance. For this purpose, the amphiphilic liquid crystal and polymers are selected as PDLC composite materials. The acrylic PEG contents are varied from 0 to 66.66 mol wt.% in order to understand the effects of different levels of additions on the microstructure and electro-optical properties of the PDLC films. For this intention, polarized optical microscopy and UV–vis spectroscopy are used. The extent of phase separation and anchoring energy are also examined using Fourier transform infrared (FTIR) spectroscopy and contact angle measurements in consequence of acrylic PEG addition. The contrast ratio, threshold voltage, as well as saturation voltage, tended to increase with the addition of acrylic PEG. The molecular affinity involved in the polymer matrix and LC molecules affected the phase separation which is responsible for the formation of domain size; this accordingly changed the electro-optical properties of PDLC film.     

ChemInform Abstract: Single-Crystal Structure of Partially Dehydrated Partially Mg2+-Exchanged Zeolite Y (FAU), [Mg30.5Na14(H2O)2.5] [Si117Al75O384]-FAU.

The crystal structure and the distribution and coordination geometry of Mg²⁺ ions in the title zeolite are determined by single crystal XRD.     

Colloidal Interactions of Inorganic Nanoparticles Grafted with Zwitterionic Polymer Brushes and Gels by Surface‐Mediated Seeded Polymerization

A robust and straightforward approach is introduced to synthesize inorganic nanoparticles chemically grafted with a zwitterionic poly(2‐methacryroyloxyethylphosphorylcholine) (PMPC) thin layers. The synthesis method is based on the surface‐mediated seeded polymerization. In order to observe how the polymer chain architectures affect colloidal interactions, the zinc oxide nanoparticles are grafted with linear brushes and with a thin hydrogel layer, respectively. The thickness of PMPC shell layers spans a few nanometers. The studies on suspension rheology for the nanoparticles show that the nanoparticles with PMPC brushes show the stronger repulsive force than those with the PMPC gel shell due to the entropic stabilization. When the shear force is applied to the Pickering emulsion produced by assembly of the nanoparticles, it is noticeable that the presence of PMPC brushes on the particles rather enhances the drop‐to‐drop attraction, which presumably stems from the entanglement of polymer chains between the contacted interfacial planes of the emulsion droplets during shearing.

     

Influence of emulsion types on nucleation kinetics and growth habit in the cooling crystallization

Experiments on unseeded batch cooling crystallization were made to investigate the influence of emulsion [solution in non‐solvent (S/NS) emulsion and non‐solvent in solution (NS/S) emulsion] on crystal size and growth habit of various materials such as hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine, ammonium sulfate, potassium dihydrogen phosphate (KDP), and γ‐glycine. Size of crystals obtained from the S/NS emulsions was found to be significantly larger than that obtained from the NS/S emulsions. Those results were explained by broad induction time distribution of nucleation in the isolated solution droplets and subsequent seeding effect by free movement of early‐induced crystals by vigorous agitation. As a result, the population density of crystals was shown to be smaller in the S/NS emulsions than that in the NS/S emulsions. In the S/NS emulsions, desupersaturation rate should be slow and high supersaturation is subsequently generated during crystal growth stage. Therefore, it may be concluded that crystal morphology of the materials with supersaturation dependent growth habit, such as ammonium sulfate, KDP and γ‐glycine, can be controlled by selection of emulsion type.     

Thermally Cross‐Linkable Hole Transport Polymers for Solution‐Based Organic Light‐Emitting Diodes

Two thermally cross‐linkable hole transport polymers that contain phenoxazine and triphenylamine moieties, X‐P1 and X‐P2, are developed for use in solution‐processed multi‐stack organic light‐emitting diodes (OLEDs). Both X‐P1 and X‐P2 exhibit satisfactory cross‐linking and optoelectronic properties. The highest occupied molecular orbital (HOMO) levels of X‐P1 and X‐P2 are −5.24 and −5.16 eV, respectively. Solution‐processed super yellow polymer devices (ITO/X‐P1 or X‐P2/PDY‐132/LiF/Al) with X‐P1 or X‐P2 hole transport layers of various thicknesses are fabricated with the aim of optimizing the device characteristics. The fabricated multi‐stack yellow devices containing the newly synthesized hole transport polymers exhibit satisfactory currents and power efficiencies. The optimized X‐P2 device exhibits a device efficiency that is dramatically improved by more than 66% over that of a reference device without an HTL.

     

New insights in the activation of human cholesterol esterase to design potent anti-cholesterol drugs

Primary hypercholesterolemia is the root cause for major health issues like coronary heart disease and atherosclerosis. Regulating plasma cholesterol level, which is the product of biosynthesis as well as dietary intake, has become one of the major therapeutic strategies to effectively control these diseases. Human cholesterol esterase (hCEase) is an interesting target involved in the regulation of plasma cholesterol level and thus inhibition of this enzyme is highly effective in the treatment of hypercholesterolemia. This study was designed to understand the activation mechanism that enables the enzyme to accommodate long chain fatty acids and to identify the structural elements for the successful catalysis. Primarily the activation efficiencies of three different bile salts were studied and compared using molecular dynamics simulations. Based on the conformations of major surface loops, hydrogen bond interactions, and distance analyses, taurocholate was concluded as the preferred activator of the enzyme. Furthermore, the importance of two bile salt binding sites (proximal and remote) and the crucial role of $7\upalpha $ -OH group of the bile salts in the activation of hCEase was examined and evidenced. The results of our study explain the structural insights of the activation mechanism and show the key features of the bile salts responsible for the enzyme activation which are very useful in hypolipidemic drug designing strategies.     

White phosphorescent organic light-emitting diodes using double emissive layer with three dopants for color stability

We fabricate white phosphorescent organic light-emitting diodes （PHOLEDs） with three dopants and double emissive layer （EML） to achieve color stability. The white PHOLEDs use FIrpic dopant for blue EML （B- EML）, and Ir（ppy）3：Ir（piq）3 dopants for green：red EML （GR-EML） with N,N＇-dicarbazolyl-3, 5-benzene （mCP） as host material. Thicknesses of B-EML and GR-EML are adjusted to form a narrow recombination zone at two EML＇s interface and charge trapping happens in EML according to wide highest occupied molecular orbital and/or lowest unoccupied molecular orbital energy band gap of mCP and smaller energy band gap of dopants. The total thickness of both EMLs is fixed at 30 nm in the device structure of ITO （150 nm）/MoO3 （2 nm）/N,N＇-diphenyl-N,N＇-bis（1-naphthyl-phenyl）-（1,1″-biphenyl）-4, 4＇-diamine （70 nm）/ meP：Firpic-8.0% （12 nm）/mCP：Ir（ppy）3-3.0%：Ir（piq）3-1.5% （18 nm）/2″,2＇,2＂＇-（1,3,5-benzinetriyl）-tris（1- phenyl-l-H-benzimidazole） （30 nm）/8-hydroxyquinolinolato-lithium （2 nm）/A1 （120 nm）. White PHOLED shows 18.25 cd/A of luminous efficiency and white color coordinates of （0.358 and 0.378） at 5000 cd/m2 and color stability with slight CIExy change of （0.028 and 0.002） as increasing luminance from 1000 to 5000 cd/m^2.     

Development and validation of a multiresidue method for determination of 82 pesticides in water using GC

Several methods used for the multiresidue analysis of pesticides from the environment and drinking water have been reported. However, most of these reports dealt with a small number of targeted pesticides or some special groups. A method that is simple, faster, and more cost‐effective than the environmental protection agency (EPA) method has been developed for the analysis of 82 frequently used pesticides in water samples obtained from Yeongsan and Sumjin rivers, as well as rice fields located in various locations around the two rivers. The samples were extracted by dichloromethane, and the pesticides were analyzed using a GC‐electron capture detector (ECD), followed by confirmation with GC‐MS. Recoveries were found to be between 82 and 120.1% for most of the tested pesticides, which were in agreement with the standard values dictated by the EPA. The method was potentially applied to 66 water samples for human consumption and 90 water samples from the rice fields and irrigation ditches that were collected from June to September 2007. Oxadiazon, butachlor, and alachlor were detected in some of the river water samples collected in June, iprobenfos (IBP) was detected in samples collected in August, and no pesticide was detected in September. On the other hand, chlorpyrifos‐methyl, IBP, hexaconazole, diazinon, oxadiazon, butachlor, and isoprothiolane were detected at relatively high concentrations in 48 rice paddy field water samples collected between June and September 2007. Alachlor in one sample and procymidone in some of the rice paddy field water samples were also detected in trace amounts. The results were consistent with the temporal pattern of pesticide application in Korean rice fields.     

Biophysical evaluation of two red-shifted hypocrellin B derivatives as novel PDT agents

Two novel cyclohexane-1,2-diamino and N,N dimethyl amino-propyl substituted hypocrellin B derivatives, abbreviated as CHA2HB and DMAHB, respectively were synthesized. These derivatives exhibited enhanced absorption in phototherapeutic window. Photodynamic action of these derivatives, investigated using optical and electron spin resonance methods, depended on both Type I and Type II mechanisms. Gel electrophoresis indicated 1O2/O2(.-) mediated DNA damage. CHA2HB displayed 20 fold increase in light dependent cytotoxicity on colon cancer cell line (HCT 116) than the well-known hypocrellin B (HB). The light induced, LD(50) values for CHA2HB and DMAHB were found to be 0.1 microM and 1.5 microM, respectively. The singlet oxygen generating efficiency followed the order HB>CHA(2)HB>DMAHB. But, the enhanced red absorption as well as the hydrophilicity renders the CHA2HB a better photodynamic therapeutic agent.