Triazole-linked-thiophene conjugate of calix[4]arene: its selective recognition of Zn2+ and as biomimetic model in supporting the events of the metal detoxification and oxidative stress involving metallothionein

Supramolecular calix[4]arene conjugate (L) has been developed as a sensitive and selective sensor for Zn(2+) in HEPES buffer among the 12 metal ion by using fluorescence, absorption and ESI MS and also by visual fluorescent color. The structural, electronic, and emission properties of the calix[4]arene conjugates L and its zinc complex, [ZnL], have been demonstrated using ab initio density functional theory (DFT) combined with time-dependent density functional theory (TDDFT) calculations. The TDDFT calculations reveal the switch on fluorescence behavior of L is mainly due to the utilization of the lone pair of electrons on imine moiety by the Zn(2+). The resultant fluorescent complex, [ZnL], has been used as a secondary sensing chemo-ensemble for the detection of -SH containing molecules by removing Zn(2+) from [ZnL] and forming {Cys/DTT·Zn} adducts as equivalent to those present in metallothioneins. The displacement followed by the release of the coordinated zinc from its Cys/DTT complex by heavy metal ion (viz. Cd(2+) and Hg(2+)), as in the metal detoxification process or by ROS (such as H(2)O(2)) as in the oxidative stress, has been well demonstrated using the conjugate L through the fluorescence intensity retrieval wherein the fluorescence intensity is the same as that observed with [ZnL], which in turn mimics the zinc sensing element (MTF) in biology.     

Gold‐Nanoparticle‐Decorated Boron Nitride Nanosheets: Structure and Optical Properties

Synergetic cooperation of individual components of the nanocomposites (NCs) is responsible for their novel properties that lead to various technological applications. A simple chemical process depicting the deposition of functionalized gold nanoparticles on the surface of boron nitride nanosheets (BNNSs) in solution is reported. The structure, chemical composition, and optical properties of nanosheets are systematically studied. The deposition of Au nanoparticles on BNNS (BNNS_Au) results in plasmonic band modulation, thus altering the optoelectronic properties of BNNSs. The intense surface plasmon absorption band of BNNS_Au is narrowed and red‐shifted relative to the absorption band of as synthesized monometallic BNNSs. The observations reflect the strong interfacial interaction between BNNS and Au nanoparticles. This approach constitutes a basis for a simple process leading to the preparation of functionalized BNNSs and their utilization as nanoscale templates for assembly and integration with other nanoscale materials for futuristic optoelectronic devices.     

The 2-characters of a group and the group determinant

A new look at Frobenius' original papers on character theory has produced the following: (a) the group determinant determines the group (Formanek-Sibley); (b) the group is determined by the 1-, 2- and 3-characters of the irreducible representations (Hoehnke-Johnson); and (c) pairs of non-isomorphic groups exist with the same irreducible 1- and 2-characters (Johnson-Sehgal). The examples produced in Johnson and Sehgal have large orders but, recently, McKay and Sibley have proved that the ten Brauer pairs of order 256 have the same irreducible 2-characters. It is shown here that the pairs of non-isomorphic groups of order p³, p and odd prime, have the same irreducible 2-characters. Further results are given on the k-characters of the regular representation/rod a shorter proof of the result mentioned in (c) is indicated. A criterion is given which is sufficient for the 3-character of an arbitrary representation to determine the group.     

Crystal structure of 7,8-dihydroxy-4-methylcoumarin.

The structure of 7,8-dihydroxy-4-methylcoumarin was determined by an X-ray diffraction method. The compound crystallized in the triclinic space group P1, Z = 2, with a = 7.631(2), b = 9.456(5), c = 7.075(3)A, alpha = 103.13(3), beta = 91.84(3), gamma= 68.21(3) degrees, and V= 460.9(3)A3. The X-ray crystal structure was also compared with those of 5,7-dihydroxy-4-methylcoumarin and 7-hydroxy-4-methylcoumarin.     

Alkali hydrolysis of trinitrotoluene

Data for alkali hydrolysis of 2,4,6-trinitrotoluene (TNT) in aqueous solution at pH 12.0 under static (pH-controlled) as well as dynamic (pH-uncontrolled) conditions are reported. The experiments were conducted at two different molar ratios of TNT to hydroxyl ions at room temperature. The TNT disappeared rapidly from the solution as a first-order reaction. The complete disappearance of aromatic structure from the aqueous solution within 24 h was confirmed by the ultraviolet-visible (UV-VIS) spectra of the samples. Cuvet experiments in a UV-VIS spectrophotometer demonstrated the formation of Meisenheimer complex, which slowly disappeared via formation of aromatic compounds with fewer nitro groups. The known metabolites of TNT were found to accumulate only in very small quantities in the liquid phase.     

Nilpotent elements in group rings

The main theorem gives necessary and sufficient conditions for the rational group algebra QG to be without (nonzero) nilpotent elements if G is a nilpotent or F·C group. For finite groups G, a characterisation of group rings RG over a commutative ring with the same property is given. As an application those nilpotent or F·C groups are characterised which have the group of units U(KG) solvable for certain fields K.This work has been supported by N.R.C. Grant No. A-5300.     

Synthesis of new fluorinated 4H-1,4-benzothiazines as possible anticancer agents

A single-step synthesis for ring-fluorinated 4H-1,4-benzothiazines is reported by the condensation and oxidative cyclization of β-diketones with 2-amino-5-fluorobenzenethiol. The reaction is believed to proceed via an enaminoketone system.     

Measurement of the acoustic nonlinearity parameter B/A in human tissues by a thermodynamic method

A thermodynamic method for measuring the acoustic nonlinearity parameter B/A in tissues is presented. It is based on the measurement of change in phase velocity as a function of time as the hydrostatic pressure of the sample is quickly reduced from a known value. This technique circumvents the effect of the attenuation in the medium and does not require a prior knowledge of the thermodynamic parameters of the tissues. The method is used to estimate nonlinearity parameters for normal and malignant tissues in the temperature range 20 degrees to 37 degrees C. The values and the temperature dependence of these parameters are found to vary with the nature of the tissues.     

Synthesis of 6-halogenated 4H-1,4-benzothiazines

The synthesis of 6-halogenated 4H-1,4-benzothiazines is reported by the condensation and oxidative cyclization of 4-substituted 2-aminobenzenethiols (I, R = Cl, Br) with β-diketones in presence of DMSO. The ir, nmr and mass spectral studies are included. 4-Substituted 2-aminobenzenethiols were also prepared by an improved and direct method.