Collective Modes and Elastic Constants of Liquid Al83Cu17 Binary Alloy

The collective dynamics （longitudinal and transverse phonon modes） are studied for aluminum-copper （Al-Cu） binary alloy in terms of the eigen-frequencies of the localized collective excitations. The model pseudopotential formalism is employed using a self-consistent phonon scheme by involving multiple scattering and phonon eigen- frequencies. These frequencies are expressed in terms of many-body correlation functions of atoms as well as of interatomic potential. The important ingredients in the present study are the pair-potential and pair-correlation functions. The most recent and sparingly used local field correlation functions are employed to investigate the influence of the screening effects on the vibrational dynamics of non-crystalline Al83Cu17 binary alloy. The results for the elastic constants like bulk modulus BT, rigidity modulus C, Poisson＇s ratio ξ, Young＇s modulus Y, Debye temperature 8D, propagation velocity of elastic waves and dispersion curves are reported based on the collective modes of this binary alloys. The present results are consistent and confirm the applicability of model potential and self-consistent phonon theory for such studies.     

Thermodynamic properties of 3C-SiC

In the present paper, we report on the results of various thermodynamic properties of 3C-SiC at high pressure and temperature using first principles calculations. We use the plane-wave pseudopotential density functional theory as im- plemented in Quantum ESPRESSO code for calculating various cohesive properties in ambient condition. Further, ionic motion at a finite temperature is taken into account using the quasiharmonic Debye model. The calculated thermody- namic properties, phonon dispersion curves, and phonon densities of states at different temperatures and structural phase transitions at high pressures are found to be in good agreement with experimental and other theoretical results.     

A convenient one-pot synthesis of N-fused 1,2,4-triazoles via oxidative cyclization using chromium (VI) oxide

A facile one-pot synthesis of N-fused 1,2,4-triazoles from heterocyclic hydrazines and aldehydes is reported. The reaction is efficiently promoted by chromium (VI) oxide to afford the desired products mostly in high yields and in relatively short time. The high yield of the products and short reaction time are notable advantages of the developed protocol. This protocol is effective toward various substrates having different functionalities.     

A convenient one-pot synthesis of 3,5-diarylisoxazoles via oxidative cyclisation using catalytic CuBr2 and oxone

A facile one-pot synthesis of 3,5-diarylisoxazoles from α,β-unsaturated ketones and hydroxylamine hydrochloride is reported. The reaction is efficiently promoted by catalytic CuBr₂ and Oxone to afford the desired products mostly in high yields and in relatively short time. The mild nature of the synthesis and short reaction time are notable advantages of the developed protocol. This protocol is effective toward various substrates having different functionalities.     

Torsion completions are bounded

Given a commutative ring A and a finitely generated ideal I, we prove that $I^{\infty }$-torsion A-modules that are also I-adically complete (or merely derived I-complete) must have bounded $I^{\infty }$-torsion, i.e., they are killed by $I^n$ for some $n\ge 0$.     

Electrical transport in liquid Sn1-xPbx metallic alloys: a self-consistent approach

The calculations of electrical resistivity of Sn–Pb liquid metallic alloys/solutions are investigated by self-consistent approach. We employ modified empty-core pseudopotential to represent electron–ion interaction, while partial structure factors are calculated using Aschroft–Langreth scheme with hard sphere reference system. The potential parameters for elemental metals were optimised to structural data in our previous paper. Computed results for resistivity as a function of temperature and concentration are discussed with other such results. Overall good agreement confirms the applicability of the present model potential for computing the electrical properties, including thermal conductivity and thermoelectric power for liquid metallic alloys.     

A note on the Gelfand-Mazur Theorem

Three Gelfand-Mazur type theorems are proved. One of these provides a -property analogue of Zalar's recent generalizations of the Froelich-Ingelstam-Smiley Theorems concerning unital multiplication in Hilbert spaces; the second illustrates that the assumption in Kaplansky's version of the Gelfand-Mazur Theorem can be weakened in the presence of a -norm; whereas the third provides a real analogue of a result due to Srinivasan.

     

Fluorine-Boosted Kinetic and Selective Molecular Sieving of C6 Derivatives

Porous molecular sorbents have excellent selectivity towards hydrocarbon separation with energy saving techniques. However, to realize commercialization, molecular sieving processes should be faster and more efficient compared to extended frameworks. In this work, we show that utilizing fluorine to improve the hydrophobic profile of leaning pillararenes affords a substantial kinetic selective adsorption of benzene over cyclohexane (20 : 1 for benzene). The crystal structure shows a porous macrocycle that acts as a perfect match for benzene in both the intrinsic and extrinsic cavities with strong interactions in the solid state. The fluorinated leaning pillararene surpasses all reported organic molecular sieves and is comparable to the extended metal–organic frameworks that were previously employed for this separation such as UIO-66. Most importantly, this sieving system outperformed the well-known zeolitic imidazolate frameworks under low pressure, which opens the door to new generations of molecular sieves that can compete with extended frameworks for more sustainable hydrocarbon separation.     

Thermoluminescence and optically stimulated luminescence in various phases of doped Na2SO4

The dependence of optically stimulated luminescence (OSL) and thermoluminescence (TL) response due to crystal phase in Cu and Cu,Mg-doped Na₂SO₄ was studied. Study shows that the slowly cooled samples which crystallize in phase V show good OSL sensitivity whereas the quenched samples of Na₂SO₄ which crystallize in phase III irrespective of doping show no OSL sensitivity. However, during storage when phase III samples get converted to phase V, samples show OSL sensitivity comparable to freshly prepared samples in phase V. Hence, it is observed that TL–OSL properties of doped Na₂SO₄ are phase dependent .This study will be helpful in developing OSL phosphors in which phase plays an important role in deciding the desired properties.     

Immobilization of the Gas Signaling Molecule H2S by Radioisotopes: Detection,Quantification, and In Vivo Imaging

Hydrogen sulfide (H₂S) has multifunctional roles as a gas signaling molecule in living systems. However, the efficient detection and imaging of H₂S in live animals is very challenging. Herein, we report the first radioisotope‐based immobilization technique for the detection, quantification, and in vivo imaging of endogenous H₂S. Macrocyclic ⁶⁴Cu complexes that instantly reacted with gaseous H₂S to form insoluble ⁶⁴CuS in a highly sensitive and selective manner were prepared. The H₂S concentration in biological samples was measured by a thin‐layer radiochromatography method. When ⁶⁴Cu–cyclen was injected into mice, an elevated H₂S concentration in the inflamed paw was clearly visualized and quantified by Cerenkov luminescence and positron emission tomography (PET) imaging. PET imaging was also able to pinpoint increased H₂S levels in a millimeter‐sized infarcted lesion of the rat heart.