Pyroelectric properties of an antiferroelectric liquid crystal

The effects of temperature and applied voltage on the pyroelectric properties of an antiferroelectric liquid crystal are given. It has been found that the pyroelectric signal depends strongly on the bias voltage across the sample. The pyroelectric signal behaviour is interpreted with the aid of spontaneous polarization data and good agreement is found between the results from the pyroelectric and polarization techniques. The spontaneous polarization of the sample exhibits the temperature- and field-induced `Devil's staircase' behaviour, as predicted by the Ising model.     

Redetermination of the crystal structure of [Na4(H2O)14]SnS4: a compound containing a novel chain of aquated sodium ions

[Na₄(H₂O)₁₄]SnS₄ is obtained by the reaction of Na₂S·9H₂O with SnCl₄·5H₂O in aqueous solution at 21°C. It crystallizes in the space group Cc with a = 8.621(2) Å, b = 23.543(5) Å, c = 11.358(2) Å, = 110.58(3)° and V = 2158.2 ų with Z = 2. Refinement of 3826 unique reflections from a racemically twinned crystal yielded a final value of R₁ = 0.0464 (|F| > 4) and wR₂ = 0.104 and a goodness of fit of 1.125. The structure consists of a Na⁺/H₂O network supporting the tetrahedral SnS₄ ^4– anions. Water molecules or sulfide ions octahedrally coordinate each of the four crystallographically independent Na⁺ ions. The dominant feature of the structure is the existence of zigzag chains of edgeshared Na octahedra. These chains are tied together into a three-dimensional network by bridging Na(H₂O)₆ octahedra and individual H₂O molecules.     

Recognition of adenosine monophosphate and H2PO4- using zinc ensemble of new hexaphenylbenzene derivative: potential bioprobe and multichannel keypad system

Zinc ensemble of hexaphenylbenzene derivative 3 exhibits sensitive response toward adenosine monophosphate (AMP) and H(2)PO(4)(-) ions. Further, the application of derivative 3 as a multichannel molecular keypad could be realized in the presence of inputs of Zn(2+) ions, H(2)PO(4)(-) ions, and AMP.     

Spontaneous periodic deformations in nonchiral planar-aligned bimesogens with a nematic-nematic transition and a negative elastic constant

Hydrocarbon linked mesogenic dimers are found to exhibit an additional nematic phase below the conventional uniaxial nematic phase as confirmed by x-ray diffraction. The phase produces unusual periodic stripe domains in planar cells. The stripes are found to be parallel to the rubbing direction (in rubbed cells) with a well-defined period equal to double the cell gap. The stripes appear without external electromagnetic field, temperature or thickness gradients, rubbing or hybrid alignment treatments. Simple modeling proposes a negative sign for at least one of the two elastic constants: splay and twist, as a necessary condition for the observed pattern.     

Design,synthesis, antitubercular and antibacterial activities of pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives and in silico docking studies

Abstract

A novel series pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives have been designed, synthesized and confirmed by FT-IR, ¹H NMR, ¹³C NMR, ¹⁹F NMR, MS, and elemental analysis. The synthesized compounds were screened for their antitubercular activity using microplate alamar blue assay method and antibacterial activity. Among the tested compounds, 4- fluorophenyl (8m), 4- chlorophenyl (8n) and 4-methoxyphenyl (8i) showed potent anti-TB activity (3.12?µg/mL) in comparison with reference drug, Pyrazinamide ((3.12?µg/mL). In addition, all compounds were docked into DprE1 (PDB code: 4KW5) to explore their binding interactions at the active site. The compounds exhibited essential key interactions as that of reported DprE1 inhibitors and hence, the synthesized compounds may be considered as molecular scaffolds for antitubercular activity. Compounds, 4-chlorophenyl (8n) and 4-flurophenyl (8m) showed significant antibacterial activity against Escherichia coli and Staphylococcus aureus strains. In silico prediction of toxicities, druglikeness and drug score profiles of the tested compounds are promising.     

Nickel nanoparticles catalyzed chemoselective Knoevenagel condensation of Meldrum’s acid and tandem enol lactonizations via cascade cyclization sequence

A novel protocol has been reported wherein, polyethylene glycol (PEG) stabilized nickel nanoparticles have been used as catalyst for chemoselective Knoevenagel condensation of aromatic aldehydes and Meldrum’s acid to give 5-arylidene Meldrum’s acid which underwent tandem enol lactonization by Michael addition/cyclization sequence with active methylene compounds in the presence of Ni nanoparticles to give corresponding enol lactone derivatives.     

Effect of high hydrostatic pressure on the dielectric relaxation in a non-crystallizable monohydroxy alcohol in its supercooled liquid and glassy states

The complex relative permittivity of a non-crystallizable secondary alcohol, 5-methyl-2-hexanol, is measured over a wide range of temperatures and pressures up to 1750 MPa (17.5 kbar). The data at atmospheric pressure (P = 0.101 MPa) are analyzed in terms of three processes, and the results are in complete agreement with that of O. E. Kalinovskaya and J. K. Vij [J. Chem. Phys. 112, 3262 (2000)]. Process I is of the Debye type and process II is of the Davidson-Cole type, whereas process III is identified as the Johari-Goldstein relaxation process. For pressures of ～500 MPa and higher, processes I and II are seen to merge into each other to form a single dominant process which unambiguously cannot be resolved into more than one process. The dielectric relaxation strength of process I decreases slightly initially with pressure and when the two processes have merged at elevated pressures, the total relaxation strength increases with increase in pressure. Process III is better resolvable at higher pressures especially above T(g) in the supercooled liquid state for the reason that the separation in the time scales between the dominant and the JG relaxation process increases at elevated pressures. Surprisingly we find a change in the slope in the plot of log τ(JG) vs. 1/T for P = 1750 MPa. The results for the relaxation time of alcohols are compared with the Kirkwood correlation factor, g, and it is found that higher is the g, lower is the relaxation time for process I, and it is more of the Debye type. On a reduction in g brought about by an increase in pressure at lower temperatures, the dominant process becomes non-Debye though extensive hydrogen bonding is still present. The dielectric strength of the merged processes increases with increase in pressure. The values of the steepness index, m = |d log τ/d(T(g)/T)|(T = Tg) for processes I and II are different for P = 0.1 MPa. However the value of m, for the composite process, which is a merger of processes I and II, for P = 1750 MPa is almost the same for process II at P = 0.1 MPa. From the results of the activation volume, activation enthalpy, and a comparison of the relaxation times with the g factor, we conclude that both processes I and II are significantly affected by hydrogen bonding and both contribute to the structural relaxation.     

Near-edge X-ray absorption fine structure spectroscopy and structural properties of Ni-doped CeO2 nanoparticles

Ni-doped CeO₂ nanoparticles were prepared by using the co-precipitation method. The prepared nanoparticles were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, field emission scanning electron microscopy (FE-SEM) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The XRD results infer that Ni-doped CeO₂ nanoparticles have single phase nature similar to that of pure CeO₂ nanoparticles. We have calculated lattice parameters using Powder-X software, particle size using Scherer’s formula and strain using the Williamson-Hall method for all the synthesized samples. We have observed a systematic decrease in the lattice parameters, particle size and strain with an increase in Ni doping in CeO₂. The FE-SEM micrographs also confirm that Ni-doped CeO₂ have nanocrystalline behavior and particles are spherical shaped. From the Raman spectra, it is observed that the intensity of classical CeO₂ vibration modes first increases then decreases with Ni doping. The NEXAFS spectra measured at Ce M_4,5 and Ni L_3,2 edges clearly indicate that Ce ions are in the +4 valence state and Ni ions are in the +2 valence state.