Task-specific nitrite and azide ionic liquids for the efficient one-pot synthesis of 1,2,3-triazoles from the aniline derivatives

An efficient, fast, and straightforward procedure for the synthesis of aromatic azides and in situ preparation of 1,2,3-triazoles under mild conditions is described. Aniline derivatives have been treated with task-specific [bmim]NO(2) and [bmim]N(3) ionic liquids to give the related phenyl azides which, on further in situ reaction with 1,3-diketones and ethylacetoacetate, afforded 1,2,3-triazoles in very good to excellent yields in very short reaction time. This procedure, which generates azides followed by azide in situ cycloaddition with diketone, has become an attractive option. In this protocol, [bmim]N(3) is used instead of the highly toxic reagent NaN(3).     

A simple humidity sensor utilizing air-gap as sensing part of the Mach–Zehnder interferometer

A simple high-resolution refractive index (RI) and phase sensor has been demonstrated and the results numerically verified. A free space gap is employed in one arm of a Mach–Zehnder interferometer (MZI) to serve as the sensing mechanism with a physical spacing of 1.4 mm. The propagation constant of transmitted light in the MZI’s gap changes due to the small variation in the ambient RI that will further shift the optical phase of the signal. A free space optical delay line is embedded within the MZI’s other arm to set the phase reference point and compensate for variations in the optical phase difference. The ambient RI is computed by measuring the phase shift in the transmission spectrum A high-resolution sensing of 0.8 pm/%RH corresponds to phase change of 0.012°/%RH has been achieved in 1520 nm.     

Origin of Fluorescence Lifetimes in Human Serum Albumin. Studies on Native and Denatured Protein

Human serum albumin consists of a single polypeptide of 585 amino acid residues with 1 Trp residue. In the present work, we measured fluorescence lifetimes of the protein in both native and denatured states. The results indicate that Trp emission occurs with three lifetimes in both states. Lifetimes values and contribution to the global emission decay differ between the two states. Data are interpreted as the results of an emission occurring from three substructures of the tryptophan formed in the excited state. Two of these substructures are already present for the tryptophan free in solution. The third lifetime is the result of the interaction between the tryptophan residue and surrounding microenvironment. The populations of these substructures characterized by the pre-exponential parameters of the fluorescence lifetimes are dependent on the fluorophore microenvironment and on the global protein structure.     

Magnetic properties and microwave absorption in Ni-Zn and Mn-Zn ferrite nanoparticles synthesized by low-temperature solid-state reaction

In this work, Mn_0.7Zn_0.3Fe₂O₄ and Ni_0.7Zn_0.3Fe₂O₄ nanoparticles with super-paramagnetic properties and size distribution from 10 to 52 nm were investigated. These particles were produced by a low-temperature solid-state reaction method without the ball-milling process. The size and morphology of the nanocrystallites were determined by X-ray diffraction, transmission electron microscopy and scanning tunneling microscopy methods. Magnetic measurements such as alternating gradient field magnetometers were used to justify the super-paramagnetic properties of these nanoparticles. Their microwave absorption in the range of 8-18 GHz was studied by a vector network analyzer. Responses of the device under tests were studied. Also, the percentage of the resin, the size and thickness of the mount were determined. The band width of 2.3 GHz was obtained with reflection-loss/written-loss of −16 dB around 10.4 GHz.     

Reaching for [6]n SiC‐cyclacenes and [6]n SiC‐acenes: A DFT approach

Density functional theory (DFT) calculations introduced triplet ground states for [6]_n SiC‐cyclacenes and ‐acenes with alternate silabenzene rings including silicon atoms in 2 opposite edges (n = 6, 8, 10, 12). The singlet‐triplet energy gap (ΔE_(S‐T)), binding energy per atom (BE/n), and NBO calculation with very small band gap (ΔE_LUMO‐HOMO) confirmed the triplet ground states. In contrast to polyacenes, the singlet [6]_n SiC‐cyclacenes displayed more stability improvement than triplets, through n increasing. This may open the way for synthesis of larger stable [6]_n SiC‐cyclacenes. The ΔE_(S‐T), BE/n, and the strain energy through homodesmic equations indicated more stability for larger [6]_n SiC‐cyclacenes, which was more noticeable in singlet states. Cyclacenes and acenes with high conductivity and full point charge were introduced as suitable candidates for hydrogen storage.     

Synthesis and characterization of hollow ��-Fe2O3 sub-micron spheres prepared by sol�Cgel

In this work we report the preparation of magnetic hematite hollow sub-micron spheres (??-Fe₂O₃) by colloidal suspensions of ferric nitrate nine-hydrate (Fe(NO₃)₃·9H₂O) particles in citric acid solution by following the sol?Cgel method. After the gel formation, the samples were annealed at different temperatures in an oxidizing atmosphere. Annealing at 180°C resulted in an amorphous phase, without iron oxide formation. Annealing at 250°C resulted in coexisting phases of hematite, maghemite and magnetite, whereas at 400°C, only hematite and maghemite were found. Pure hematite hollow sub-micron spheres with porous shells were formed after annealing at 600°C. The characterization was performed by X-ray diffraction (XRD), Mössbauer spectroscopy (MS) and scanning electron microscopy (SEM).     

Mode-locked self-pumping and squeezing photons model in a nonlinear micro-ring resonator

Photon squeezing and self-pumping within a nonlinear microring GaAsInP/P resonator are modeled and simulated, based on practical, published device parameters. A slowly varying amplitude pulse is input to the system, with a pulse width of 20 ns, a wavelength of 1.55 µm and peak power of 100 mW. The nonlinear effect resulting from the photons within the nonlinear ring resonator can be increased by adding external nonlinear coupling where, in this case, two nonlinear side rings are provided. The Dirac approach is used to generate the squeezed photons within the system. Three different device structures have been investigated, which include an add-drop filter, and a modified add-drop filter with two inner and outer side ring coupling resonators, where the nonlinear four-wave mixing effect is introduced. By using the commercial Opti-wave and MATLAB programs (in which suitable parameters have been chosen), the balance between the creation and annihilation operators can form the squeezed photons, which can be seen at the edge and center rings. The results obtained have shown that the squeezed center photon optical path (between 0 and 1 nm can be obtained) can be useful for interferometry, photon sources, and security code and sensor applications.     

A comparative study on the Ge6C14 heterofullerene nanocages: a density functional survey

Ten C₁₄Ge₆ heterofullerene isomers of C₂₀ have been investigated by density functional theory (DFT) methods with Becke 3‐Parameter (Exchange), Lee, Yang and Parr (B3LYP) functional at the 6‐311 + G*, 6‐311++G** and AUG‐cc‐pVTZ levels. In contrast to identical bonds in the latter, contractions of C═C double bonds are encountered at the expense of longer C―Ge bonds in the former. Vibrational frequency analysis confirms that all of the nanocages are true minima. In contrast to the common belief, for obtaining highly silicon‐doped stable heterofullerenes, that the silicon dopants must be completely isolated from each other by means of strong C═C double bonds. Here, linking the germanium substitutions together is an applicable strategy for obtaining highly doped stable isolated heterofullerenes since it avoids weak heteroatom─heteroatom bonds. Therefore, none of the computed heterofullerenes collapses to open, to deform, or to segregate fullerenic cages. As to band gaps (ΔE_HOMO‐LUMO), and nucleus‐independent chemical shifts at cage centers (NICS (0)), C₁₄Ge₆‐2 immerges with the highest value. Hence, it is predicted to be the most stable against electronic excitation. It contains 2 Ge─Ge single bonds at the cap‐equatorial positions. On the other hand, as to zero‐point vibrational energy and heat of atomization (ΔH_at), C₁₄Ge₆‐8 appears with the lowest and highest value, respectively. It contains 6 alternating germanium atoms in the equatorial and cap positions. Thus, it is predicted to be the most thermodynamically stable. So, germanium substitution leads to a high charge distribution on the surfaces of all the isomers specially C₁₄Ge₆‐9 with +1.496 charged germanum atoms. C₁₄Ge₆ isomers seem to be a good candidate for the hydrogen storage material.     

Magnetic force and radiation influences on nanofluid transportation through a permeable media considering Al2O3 nanoparticles

Journal of Thermal Analysis and Calorimetry - New numerical approach has been selected for simulating magnetic force and radiation influences on alumina transportation within a permeable medium. To...