Temperature sensors and optical sensors

The dependence of temperature on the fluorescence lifetime and fluorescence intensity ratio using Stark sublevels and thermally coupled (close lying) levels in triply ionized rare earth ions, doped into a variety of glasses and fibers, have been reviewed. Also, it is claimed that not only for the two closely lying levels of triply ionized rare earth ion of the same kind, but also for two different triply ionized rare earth ions, having their excited levels very close to each other, may be used to monitor the temperature. PACS 42.70.Ce     

New designs for inhibitors of the NF-κB: DNA binding

We present a series of new inhibitors of the association between nuclear factor kappa B (NF-B) and the corresponding B site in DNA. They were designed using the lead compound 15-deoxy-^12,14 -prostaglandin J₂ (PGJ2), which is a natural product with demonstrated inhibitory efficiency for this system. First, the binding mode of PGJ2 to NF-B was unraveled by GOLD docking calculation. Subsequently, substitutions were made to PGJ2 to optimize its association with NF-B. Care was taken not to strongly increase the reactivity of the new compounds, and to keep the overall shape, size and hydrophilicity of the lead compound, which should render them a similar bioavailability. Molecular mechanics calculations were performed to decide on the suitability of the substitutions, and to evaluate the energies of association with NF-B. Density functional theory calculations were performed also to study the overall reactivity of the substituted drugs towards NF-B. Important general conclusions were obtained, concerning the improvement of these natural inhibitors; namely, a set of rational methodologies were deduced to improve the association between the PGJ2 derivatives and NF-B, and their efficiency demonstrated by generating a set of substituted complexes, some of them with a very much increased affinity for NF-B, opening new doors to enlarge the therapeutic capabilities of this class of drugs.     

Measurement and Modeling of Phase Equilibrium,Volumetric Properties and Molar Refractivity of 2-Methylpropan-2-ol + Ethane-1,2-diol

2-Methylpropan-2-ol, an important fine chemical, may be dehydrated during extractive distillation with glycols as entrainer. Experimental isobaric phase equilibrium studies were carried out on binary mixtures of 2-methylpropan-2-ol with ethane-1,2-diol, as an entrainer, at the local atmospheric pressure of 94.99 kPa and at sub-atmospheric pressures of 19.99, 39.99, 59.99, 78.79 kPa using a Sweitoslawski-type ebulliometer. The Wilson and NRTL activity coefficient models were used to correlate the experimental results and the binary interaction parameters were obtained using the Generalized Reduced Gradient optimization technique. UNIFAC was also used to predict the deviations in bubble temperatures. Moreover, the variation in density, refractive index values and other derived properties (excess molar volumes, partial molar volumes and deviations in molar refractivity) were explored at 303.15, 313.15, 323.15 and 333.15 K to understand the shift of equilibrium with the variation in the mixture composition for the conformational state of the molecules. The Redlich–Kister polynomial equation was used to correlate the excess molar volumes and deviations from molar refractivity. Different theoretical mixing rules (Lorentz–Lorenz, Wiener, Heller, Gladstone–Dale and Arago–Biot) are investigated and reported in terms of average percentage deviation. Furthermore, the Prigogine–Flory–Patterson theory was used to predict the trend of the dependence of excess molar volumes on composition for the present system.     

Structural and optical characterization of CdS nanoparticles prepared by chemical precipitation method

In the present study we have synthesized CdS semiconducting quantum dots by the chemical precipitation method using Thioglycerol as the capping agent. X-ray powder diffraction (XRD) and transmission electron microscopy (TEM) are employed to characterize the size, morphology and crystalline structure of the as-prepared material. The synthesized QPs have a mixture of cubical and hexagonal crystal symmetry with 12 nm average diameter. Ultraviolet-visible (UV-vis) absorption spectroscopy is used to calculate the band gap of the material and blue shift in absorption edge. Confinement of the optical phonon modes in the QPs is studied by Raman spectroscopy, while FTIR for identification of chemical bonds in the nanomaterial. Multiple cadmium and sulphur defects were observed by employing the photoluminescence (PL) method.     

Macroscopic recognition of iodide by polymer appended calix[4]amidocrown resin

ABSTRACT

The current study reveals the synthesis of polymer appended Calix[4]amidocrown-5 with specific binding affinity for iodide at ppm-level. The low detection limits are observed via UV-vis and fluorescence spectroscopy. The time-dependent solution and solid-state ¹²⁷I NMR studies with 18.8 and 19 ppm shifts, indicate a strong sensing nature of resin towards iodide ion. A significant reduction in surface area and pore volume with higher thermostability of resin after iodide uptake indicated iodide inclusion in the amidocrown cavity. The mechanism of iodide sensing may be governed by noncovalent interactions of NH and OH protons present in amidocrown and phenyl ring as observed in terms of emission enhancement in fluorescence spectroscopy. The binding affinity and stoichiometric determinations are determined by Benesi-Hildebrand and Jobs plots, respectively.     

Glass transition and crystallization kinetics analysis of Sb–Se–Ge chalcogenide glasses

Differential thermal analysis (DTA) has been employed to investigate the effect of Ge addition on the glass transition behavior and crystallization kinetics of Sb₁₀Se_90?xGe_x (x = 0, 19, 21, 23, 25, 27) alloys. The three characteristic temperatures viz. glass transition (T _g), crystallization (T _c), and melting (T _m) have been determined and found to vary with the heating rates and Ge content. Thermal stability and glass forming tendency have been evaluated in terms of ΔT (= T _c ? T _g) and reduced glass transition temperature. The activation energies for glass transition and crystallization have been used to analyze the nucleation and growth process. The activation energy analysis also determines the suitability of alloys to be used in switching applications. Results have been interpreted in terms of bond energies and structural transformations in the investigated alloys.     

NIR to visible upconversion in Er/Yb co-doped CaYAl3O7 phosphor obtained by solution combustion process

Using the combustion synthesis, CaYAl₃O₇:Er³⁺ phosphor powders co-doped with Yb³⁺ have been prepared at low temperatures (550 °C) in a few minutes. Formation of the compound was confirmed by X-ray powder diffraction. Near-infrared to visible upconversion fluorescence emission in the Er³⁺ doped CaYAl₃O₇ phosphor powder has been observed. The effect of co-doping with triply ionized ytterbium in the CaYAl₃O₇:Er³⁺ phosphor has been studied and the process involved is discussed.     

Silica-Functionalized CuI: An Efficient and Selective Catalyst for N-Benzylation,Allylation, and Alkylation of Primary and Secondary Amines in Water

Silica-functionalized CuI has been reported as an efficient and selective catalyst for the selective mono-N- and N,N-dibenzylation, allylation, and alkylation of primary amines with benzylic, allylic, and alkyl halides using NaOH as base in aqueous medium. By changing the reaction temperature, mono- or di-benzylation, allylation, or alkylation could be achieved in good yield and selectivity. Secondary amines have also been benzylated, allylated, and alkylated under similar conditions. SiO₂-CuI has been characterized by Fourier transform–infrared, atomic absorption spectrometry, thermalgravimetric analysis, X-ray diffraction, scanning electron microscopy, and transmission electron microscopy, and found to be highly selective and recyclable under the reaction conditions.

[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]     

Polymer-anchored peroxo compounds of vanadium(V) and molybdenum(VI): synthesis, stability, and their activities with alkaline phosphatase and catalase

We generated a series of new polymer-bound peroxo complexes of vanadium(V) and molybdenum(VI) of the type [VO(O(2))(2)(sulfonate)]-PSS [PSS = poly(sodium 4-styrene sulfonate)] (PV(3)), [V(2)O(2)(O(2))(4)(carboxylate)VO(O(2))(2)(sulfonate)]-PSSM [PSSM = poly(sodium styrene sulfonate-co-maleate)] (PV(4)), [Mo(2)O(2)(O(2))(4)(carboxylate)]-PA [PA = poly(sodium acrylate)] (PMo(1)), [MoO(O(2))(2)(carboxylate)]-PMA [PMA = poly(sodium methacrylate)] (PMo(2)), and [MoO(O(2))(2)(amide)]-PAm [PAm = poly(acrylamide)] (PMo(3)) by reacting V(2)O(5) (for PV(3) and PV(4)) or H(2)MoO(4) (for PMo(1), PMo(2), and PMo(3)) with H(2)O(2) and the respective water-soluble macromolecular ligand at pH 5-6. The compounds were characterized by elemental analysis (CHN and energy-dispersive X-ray spectroscopy), spectral studies (UV-vis, IR, (13)C NMR, (51)V NMR, and (95) Mo NMR), thermal (TGA) as well as scanning electron micrographs (SEM), and EDX analysis. It has been demonstrated that compounds retain their structural integrity in solutions of a wide range of pH values and are approximately 100 times weaker as substrate to the enzyme catalase relative to H(2)O(2), its natural substrate. The effect of the title compounds, along with previously reported compounds [V(2)O(2)(O(2))(4)(carboxylate)]-PA (PV(1)) and [VO(O(2))(2)(carboxylate)]-PMA (PV(2)) on rabbit intestine alkaline phosphatase (ALP) has been investigated and compared with the effect induced by the free diperoxometallates viz. Na[VO(O(2))(2)(H(2)O)] (DPV), [MoO(O(2))(2)(glycine)(H(2)O)] (DMo(1)), and [MoO(O(2))(2)(asparagine)(H(2)O)] (DMo(2)). It has been observed that although all the compounds tested are potent inhibitors of the enzyme, the polymer-bound and neat complexes act via distinct mechanisms. Each of the macromolecular compounds is a classical noncompetitive inhibitor of ALP. In contrast, the action of neat pV and heteroligand pMo compounds on the enzyme function is consistent with a mixed type of inhibition.