A formal construction of a divergence-free basis in the nonconforming virtual element method for the Stokes problem

Numerical Algorithms - We develop a formal construction of a pointwise divergence-free basis in the nonconforming virtual element method of arbitrary order for the Stokes problem introduced in Zhao...     

Rational Development of Remote C−H Functionalization of Biphenyl: Experimental and Computational Studies

A simple and efficient nitrile-directed meta-C−H olefination, acetoxylation, and iodination of biaryl compounds is reported. Compared to the previous approach of installing a complex U-shaped template to achieve a molecular U-turn and assemble the large-sized cyclophane transition state for the remote C−H activation, a synthetically useful phenyl nitrile functional group could also direct remote meta-C−H activation. This reaction provides a useful method for the modification of biaryl compounds because the nitrile group can be readily converted to amines, acids, amides, or other heterocycles. Notably, the remote meta-selectivity of biphenylnitriles could not be expected from previous results with a macrocyclophane nitrile template. DFT computational studies show that a ligand-containing Pd–Ag heterodimeric transition state (TS) favors the desired remote meta-selectivity. Control experiments demonstrate the directing effect of the nitrile group and exclude the possibility of non-directed meta-C−H activation. Substituted 2-pyridone ligands were found to be key in assisting the cleavage of the meta-C−H bond in the concerted metalation–deprotonation (CMD) process.     

Self‐emulsion polymerization of amphiphilic monomers—a green route to synthesis of polymeric nanoscaffolds

Self‐emulsion polymerization (SEP), a green route developed by us for the polymerization of amphiphilic monomers, does not require any emulsifier or an organic solvent except that the water‐soluble initiators such as 2,2′‐azobis[2‐(2‐imidazolin‐2‐yl)propane]dihydrochloride (VA‐044) and potassium persulfate (KPS) are only used. We report here the polymer nanoscaffolds from a number of amphiphilic monomers, which can be used for in situ encapsulation of a variety of nanoparticles. As a demonstration of the efficacy of these nanoscaffolds, the synthesis of a biocompatible hybrid nanoparticle (nanohybrid), prepared by encapsulating Fe₃O₄ magnetic nanoparticle (Fe₃O₄ MNPs) in poly(2‐hydroxyethyl methacrylate) in water, for MRI application is presented. The nanohybrid prepared following the SEP in the form of an emulsion does not involve the use of any stabilizing agent, crosslinker, polymeric emulsifier, or surfactant. This water‐soluble, spherical, and stable nanohybrid containing Fe₃O₄ MNPs of average size 10 ± 2 nm has a zeta potential value of ?41.89 mV under physiological conditions. Magnetic measurement confirmed that the nanohybrid shows typical magnetic behavior having a saturation magnetization (Ms) value of 32.3 emu/g and a transverse relaxivity (r2) value of 29.97 mM^?1 s^?1, which signifies that it can be used as a T2 contrast agent in MRI. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019     

Ceramic fuel cells using novel proton-conducting BaCe0.5Zr0.3Y0.1Yb0.05Zn0.05O3-δ electrolyte

Journal of Solid State Electrochemistry - Protonic ceramic fuel cells have become extremely interesting due to their high power output at the intermediate temperature range...     

Analysis of deuterated water contents using FTIR bending motion

Journal of Radioanalytical and Nuclear Chemistry - An extensive series of evaluations have been performed as part of an IAEA coordinated research project to study a set of nuclear reactions that...     

Blue electroluminescent materials based on indeno[1,2-a]arene derivatives for Organic Light-Emitting Diodes

Abstract

In this study, as a continuous effort for searching efficient blue-emitting materials, we designed and synthesized materials based on indeno[1,2-a]arene. OLED devices using these materials were fabricated in the following sequence; ITO (180?nm)/N,N'-diphenyl-N,N'-(2-napthyl)-(1,1'-phenyl)-4,4'-diamine (NPB) (50?nm)/emitting materials (30?nm)/4,7-diphenyl-1,10-phenanthroline (Bphen) (30?nm)/Liq/Al (2/100?nm). Particularly, a device using 7,7-dimethyl-7H-indeno[1,2-a]pyrene as emitter showed maximum values of luminous efficiency, power efficiency, and external quantum efficiency of 1.10?cd/A, 0.49?lm/W, 1.47% at 20?mA/cm², respectively with CIE (x,y) coordinates of (0.15, 0.08) at 6.0V.     

Synthesis and property of diazocine derivatives substituted with imidazole in various positions

ABSTRACT

TIACA-I, TIACA-II were synthesized by changing the substitution position of the imidazole group in the diazocine core. TIACA-I, TIACA-II in the film state showed absorption in the range of 354 to 392 nm and exhibited blue photoluminescence (PL) emissions at 448 and 462 nm, respectively. The PL wavelength of TIACA-II is red-shifted by 14 nm than that of TIACA-I due to the electron-donating intensity depending on the position of the imidazole group. The use of TIACA-II in a non-doped OLED device resulted in blue emission with current efficiency of 2.84 cd/A and CIE of (0.15, 0.18).     

Simple and Precise Quantification of Iron Catalyst Content in Carbon Nanotubes Using UV/Visible Spectroscopy

Iron catalysts have been used widely for the mass production of carbon nanotubes (CNTs) with high yield. In this study, UV/visible spectroscopy was used to determine the Fe catalyst content in CNTs using a colorimetric technique. Fe ions in solution form red–orange complexes with 1,10-phenanthroline, producing an absorption peak at λ=510 nm, the intensity of which is proportional to the solution Fe concentration. A series of standard Fe solutions were formulated to establish the relationship between optical absorbance and Fe concentration. Many Fe catalysts were microscopically observed to be encased by graphitic layers, thus preventing their extraction. Fe catalyst dissolution from CNTs was investigated with various single and mixed acids, and Fe concentration was found to be highest with CNTs being held at reflux in HClO₄/HNO₃ and H₂SO₄/HNO₃ mixtures. This novel colorimetric method to measure Fe concentrations by UV/Vis spectroscopy was validated by inductively coupled plasma optical emission spectroscopy, indicating its reliability and applicability to asses Fe content in CNTs.     

Triply Linked Corrole Dimers

The oxidation of 10–10′ singly linked corrole dimers with DDQ at low concentration in CHCl₃ afforded meso–meso, β–β, β–β triply linked 2H‐corrole dimers (with two inner NH groups in each corrole unit), which exhibited characteristic ¹H NMR and absorption spectra attributable to their nonaromatic electronic networks. These 2H‐corrole dimers were reduced with NaBH₄ to aromatic 3H‐corrole dimers, which were unstable and easily oxidized back to the 2H‐corrole dimers upon exposure to air. Bis(zinc(II)) complexes of the 2H‐corrole dimers were synthesized and characterized as rare examples of nonaromatic zinc(II) corrole complexes.