Precise frequency measurements of atomic transitions by use of a Rb-stabilized resonator

We demonstrate a technique for frequency measurements of atomic transitions with a precision of 30 kHz. The frequency is measured with a ring-cavity resonator whose length is calibrated against a reference laser locked to the D2 line of 87Rb, the frequency of which is known with 10-kHz accuracy. We have used this method to measure the hyperfine structure in the 5P(3/2) state of 85Rb. We obtain precise values for the hyperfine constants, A = 25.041(6) MHz and B = 26.013(25) MHz, and a value of 77.992(20) MHz for the isotope shift in the D2 line.     

Wormhole supported by dark energy admitting conformal motion

In this article, we study the possibility of sustaining static and spherically symmetric traversable wormhole geometries admitting conformal motion in Einstein gravity, which presents a more systematic approach to search a relation between matter and geometry. In wormhole physics, the presence of exotic matter is a fundamental ingredient and we show that this exotic source can be dark energy type which support the existence of wormhole spacetimes. In this work we model a wormhole supported by dark energy which admits conformal motion. We also discuss the possibility of the detection of wormholes in the outer regions of galactic halos by means of gravitational lensing. Studies of the total gravitational energy for the exotic matter inside a static wormhole configuration are also performed.     

Rational Design of Biaxial Tensile Strain for Boosting Electronic and Ionic Conductivities of Na2MnSiO4 for Rechargeable Sodium-Ion Batteries

Using first-principles calculations, biaxial tensile (ϵ=2 and 4 %) and compressive (ϵ=−2 and −4 %) straining of Na₂MnSiO₄ lattices resulted into radial distance cut offs of 1.65 and 2 Å, respectively, in the first and second nearest neighbors shell from the center. The Si−O and Mn−O bonds with prominent probability density peaks validated structural stability. Wide-band gap of 2.35 (ϵ=0 %) and 2.54 eV (ϵ=−4 %), and narrow bandgap of 2.24 eV (ϵ=+4 %) estimated with stronger coupling of p–d σ bond than that of the p–d π bond, mainly contributed from the oxygen p-state and manganese d-state. Na⁺-ion diffusivity was found to be enhanced by three orders of magnitude as the applied biaxial strain changed from compressive to tensile. According to the findings, the rational design of biaxial strain would improve the ionic and electronic conductivity of Na₂MnSiO₄ cathode materials for advanced rechargeable sodium-ion batteries.     

Cooperative interactions in supramolecular aggregates: linear and nonlinear responses in calix[4]arenes.

The linear and nonlinear optical polarizabilities of donor-acceptor (D-pi-A) chromophores in confined geometries of calix[4]arenes are investigated through a model for interacting polar-polarizable molecules. Both the linear polarizability (alpha) and the first hyperpolarizability (beta) decrease with increasing the interdipolar angle, as expected in the oriented-gas picture. However, within the polar-polarizable model we predict deviations from the additive result, irrespective of the interdipolar angle. Depending on the nature of the chromophore, electrostatic intermolecular interactions between polar and polarizable chromophores lead to cooperative damping or enhancement of the optical responses. Specifically, for chromophores whose ground state is dominated by the neutral D-pi-A structure both alpha and beta are suppressed with respect to the prediction of the oriented-gas model, whereas the opposite holds true for chromophores whose ground state is dominated by the zwitterionic D(+)-pi-A(-). These results explain recent experimental data on a calix[4]arene functionalized with a donor-acceptor dye for nonlinear optical applications. Density functional theory calculations on the relevant crystal structure further support our interpretation.     

Stable transition metal complexes of an all-metal antiaromatic molecule (Al4Li4): role of complexations

We propose for the first time a few examples of stable transition metal complexes of an all-metal antiaromatic molecule Al4Li4. We demonstrate that these all-metal species can be stabilized by complexation with 3d transition metals very similar to their organic counterpart, C4H4. Complexation to transition metal ions reduces the frontier orbital energies and introduces aromatic charactersitics. We consider a series of such complexes: [eta4-(Al4Li4)-Fe(CO)3, eta2,sigma2-(Al4Li4)-Ni, and (Al4Li4)2Ni] and compare and contrast their energetics with their organometallic counterparts. Fragmentation energy, orbital correlation energy analysis, and the nucleus-independent chemical shift (NICS) values support the complexation-induced stabilities in these systems.     

On the eigenvalues of a 3 by 3 non-Hermitian Hamiltonian

In this paper, we are concerned with a 3 × 3 complex matrix Jacobi (tri-diagonal matrix) arised from a non-Hermitian discrete quantum system. Necessary and sufficient conditions for reality of the eigenvalues of the matrix in question are established.     

Electroanalysis of Caffeic Acid in Red Wine and Investigation of Thermodynamic Parameters Using an Ag Nanoparticles Modified Poly(Thiophene) Film Glassy Carbon Electrode

A silver nanoparticle decorated poly(thiophene) modified glassy carbon electrode (GCE) was prepared for determination of caffeic acid. The Ag/PTh/GCE surface was characterized by scanning electron microscopy (SEM) and energy‐dispersive X‐ray (EDX) spectroscopy. The modified electrode has shown higher electrocatalytic activity towards the oxidation of caffeic acid. The peak current of was found linear in the concentration range from 1.00×10^?8 to 4.83×10^?6 M with a detection limit of 5.3×10^?9 M (S/N=3). The modified electrode was used for determination of CA concentration in red wine samples. The thermodynamic constants, entropy change (ΔS), enthalpy change (ΔH) and Gibbs free energy change (ΔG) were calculated as ?166.34 J/(mol K), ?154.24 kJ/mol and ?104.75 kJ/mol at 25 °C, respectively.     

Molecular Switching Behavior in Isosteric DNA Base Pairs

The structures and proton‐coupled behavior of adenine–thymine (A‐T) and a modified base pair containing a thymine isostere, adenine–difluorotoluene (A‐F), are studied in different solvents by dispersion‐corrected density functional theory. The stability of the canonical Watson–Crick base pair and the mismatched pair in various solvents with low and high dielectric constants is analyzed. It is demonstrated that A‐F base pairing is favored in solvents with low dielectric constant. The stabilization and conformational changes induced by protonation are also analyzed for the natural as well as the mismatched base pair. DNA sequences capable of changing their sequence conformation on protonation are used in the construction of pH‐based molecular switches. An acidic medium has a profound influence in stabilizing the isostere base pair. Such a large gain in stability on protonation leads to an interesting pH‐controlled molecular switch, which can be incorporated in a natural DNA tract.     

A New and Convenient Synthesis of Amino‐phthalimide (1H‐Isoindole‐1,3(2H)‐dione) Derivatives and Their Photoluminescent Properties

A new and convenient synthesis for amino‐phthalimide (1H‐isoindole‐1,3(2H)‐dione) derivatives has been developed starting from an α,β‐unsaturated ketone. The ketones were reacted with amines to give aromatic amine products. This is the first time that substituted amine groups have been incorporated in aromatic rings. The mechanism of the product formation is rationalized by the 1,2‐addition of amines to ketones. All aromatic compounds exhibited high fluorescence properties at the blue‐green region.     

Feasibility of tetracycline,a common antibiotic,as chelating agent for spectrophotometric determination of UO2 2+ after cloud point extraction

A cloud point extraction (CPE) procedure was presented for the preconcentration of UO₂ ²⁺ ion in different water samples. Tetracycline (TC) is the second most widely used antibiotics in the world and is used as chelating agent. To the best of our knowledge, this is the first work that an antibiotic is used as a chelating agent for CPE of UO₂ ²⁺. Besides, the use of TC as complexing agent provides excellent chelating features. TC molecule has large numbers of functional groups (adjacent hydroxyl oxygen atoms and cyclohexanone oxygen atoms, amide groups) which can form stable complex with UO₂ ²⁺. After complexation with TC, UO₂ ²⁺ ions were quantitatively recovered in Triton X-100 after cooling in the ice bath. 3.0 mL of acetate buffer was added to the surfactant-rich phase prior to its analysis by UV–Vis spectrophotometer. The influence of analytical parameters including pH, buffer volume, TC, Triton X-100 concentrations, bath temperature, incubation time were optimized. The effect of the matrix ions on the recovery of UO₂ ²⁺ ions was investigated. The limit of detection was 0.0746 μg mL^?1 along with enrichment factor of 14.3 with a R.S.D. of 3.6 %. The proposed procedure was applied to the analysis of various environmental water samples. On the other hand, the electronic distribution of TC molecule is investigated with their frontier molecular orbital density distributions.