Electric quadrupole moments of the D states of alkaline-earth-metal ions

The electric quadrupole moment for the 4d(2)D(5/2) state of (88)Sr(+); one of the most important candidates for an optical clock, has been calculated using the relativistic coupled-cluster theory. This is the first application of this theory to determine atomic electric quadrupole moments. The result of the calculation is presented and the important many-body contributions are highlighted. The calculated electric quadrupole moment is (2.94 +/- 0.07)ea(2)(0), where a(o) is the Bohr radius and the electronic charge while the measured value is (2.6 +/- 0.3) ea(2)(0). This is so far the most accurate determination of the electric quadrupole moment for the above mentioned state. We have also calculated the electric quadrupole moments for the metastable 4d(2)D(3/2) state of 88(Sr(+) and for the 3d(2)D(3/2.5/2) and 5d(2)D(3/2.5/2) states of (43)Ca(+) and (138)Ba(+), respectively.     

Nanohybridization of Low-Dimensional Nanomaterials: Synthesis,Classification, and Application

Nanomaterials have attracted much attention from academic to industrial research. General methodologies are needed to impose architectural order in low-dimensional nanomaterials composed of nanoobjects of various shapes and sizes, such as spherical particles, rods, wires, combs, horns, and other non specified geometrical architectures. These nanomaterials are the building blocks for nanohybrid materials, whose applications have improved and will continuously enhance the quality of the daily life of mankind. In this article, we present a comprehensive review on the synthesis, dimension, properties, and present and potential future applications of nanomaterials and nanohybrids. Due to the large number of review articles on specific dimension, morphology, or application of nanomaterials, we will focus on different forms of nanomaterials, such as, linear, particulate, and miscellaneous forms. We believe that almost all the nanomaterials and nanohybrids will come under these three categories. Every form or dimension or morphology has its own significant properties and advantages. These low-dimensional nanomaterials can be integrated to create novel nano-composite material applications for next-generation devices needed to address the current energy crisis, environmental sustainability, and better performance requirements. We discuss the synthesis, properties, and morphology of different forms of nanomaterials (building blocks). Moreover, we elaborate on the synthesis, modification, and application of nanohybrids. The applications of these nanomaterials and nanohybrids in sensors, solar cells, lithium batteries, electronic, catalysis, photocatalysis, electrocatalysis, and bio-based applications will be detailed. The time is now ripe to explore new nanohybrids that use individual nanomaterial components as basic building blocks, potentially affording additionally novel behavior and leading to new, useful applications. In this regard, the combination or integration of linear nanorods/nanowires and spherical nanoparticles to produce mixed-dimensionality, higher-level nanocomposites of greater complexity is an interesting theme, which we explore in this review article.     

Azoester-based H-shaped symmetrical mesogenic dimers containing – CH3/–OCH3 terminal substituent

Two extensive homologous series of H-shaped symmetrical dimers were synthesized and their thermotropic properties studied by differential scanning calorimetry and on a hot-stage of a polarizing microscope. These compounds consist of two mesogenic units of azoester interconnected through flexible spacers (n?=?4) resulting in the structure of ‘H-shaped’ dimeric compounds. The difference between the two series is in the structure of terminal substituents (–CH₃ for series I and –OCH₃ for series II) attached on the azoester mesogens at one terminus. All these compounds were found to be smectogenic. The effect of different terminal substituents on mesomorphism is discussed. The trans-azobenzene groups of the H-shaped dimeric compounds display a high-intensity π–π* transition at about 365?nm and a low-intensity π–π* transition at around 460?nm, therefore, photochromism can be achieved by the introduction of the azo linkage to the H-shaped dimeric compounds.     

Fabrication and evaluation of self-nanoemulsifying oil formulations (SNEOFs) of Efavirenz

The current work designed to fabricate and evaluate self-nanoemulsfying oil formulations (SNEOFs) of Efavirenz (Efz) a BCS class II drug with the objective of increasing its solubility as well as in vitro dissolution rate for improvisation of bioavailability. Preliminary screening of drug which includes solubility, emulsifying ability and ternary phase diagrams was carried out to fabricate SNEOFs. Various thermodynamic stability studies were exercised to find out the stable SNEOFs. Robustness to dilution, % transmittance and turbidity, droplet size analysis, TEM study, cloud point measurement, viscosity and refractive index were executed on the stable SNEOFs to characterize the delivery system. FTIR study was adopted for the compatibility of the additives with the drug. In vitro release profiles of SNEOFs compared with Efz, percent dissolution efficiency (DE) and dissolution half-life (t₅₀) were evaluated. A low percent DE (30.12%) and high t₅₀ was obtained for Efz whereas all SNEOFs showed a DE of greater than 78.48% and less than 9?min t₅₀. The optimized SNEOFs (F8) demonstrated a significant (p?<?0.05) increase in bioavailability over Efz. Thus the designed optimized delivery system could be instrumental in increasing aqueous solubility of Efz, improving its release performance and enhancement of oral absorption.     

Antibacterial cotton fabrics with in situ generated silver and copper bimetallic nanoparticles using red sanders powder extract as reducing agent

Using aqueous extraction of red sanders powder as a reducing agent, silver and copper bimetallic nanoparticles were in situ generated in cotton fabrics. Silver and copper nanoparticles were also generated separately for comparison. The resulted nanocomposite cotton fabrics (NCFs) were characterized by Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), and antibacterial tests. SEM analysis indicated the generation of more number of nanoparticles when bimetallic source solutions were used. Further, the size range of the generated bimetallic nanoparticles was found to be lower than when individual metal nanoparticles were generated in NCFs. XRD analysis confirmed the in situ generation of silver and copper nanoparticles when equimolar bimetallic salt source solutions were utilized. The NCFs with bimetallic nanoparticles exhibited higher antibacterial activity against both Gram-negative and Gram-positive bacteria and hence can be considered for applications as antibacterial bed and dressing materials.     

Molecular conformation and structural correlations of liquid D-1-propanol through neutron diffraction

An analysis of neutron diffraction data of liquid deuterated 1-propanol at room temperature to extract its molecular conformation is presented. Being a big molecule with twelve atomic sites, the analysis is tricky and needs careful consideration. The resulting molecular parameters are compared with electron diffraction (gas phase), X-ray diffraction (liquid phase) and MD simulation results. Information about the hydrogen-bonded intermolecular structure in liquid is extracted and nature of the probable molecular association suggested.      

Solutions with concentration for conservation laws with discontinuous flux and its applications to numerical schemes for hyperbolic systems

Measure-valued weak solutions for conservation laws with discontinuous flux are proposed and explicit formulae have been derived. We propose convergent discontinuous flux-based numerical schemes for the class of hyperbolic systems that admit nonclassical -shocks, by extending the theory of discontinuous flux for nonlinear conservation laws to scalar transport equation with a discontinuous coefficient. The article also discusses the concentration phenomenon of solutions along the line of discontinuity, for scalar transport equations with a discontinuous coefficient. The existence of the solutions for transport equation is shown using the vanishing viscosity approach and the asymptotic behavior of the solutions is also established. The performance of the numerical schemes for both scalar conservation laws and systems to capture the -shocks effectively is displayed through various numerical experiments.     

Further results on the Drazin inverse of even‐order tensors

The notion of the Drazin inverse of an even‐order tensors with the Einstein product was introduced, very recently [J. Ji and Y. Wei. Comput. Math. Appl., 75(9), (2018), pp. 3402‐3413]. In this article, we further elaborate this theory by establishing a few characterizations of the Drazin inverse and $\mathrm{??}$‐weighted Drazin inverse of tensors. In addition to these, we compute the Drazin inverse of tensors using different types of generalized inverses and full rank decomposition of tensors. We also address the solution of multilinear systems by using the Drazin inverse and iterative (higher order Gauss‐Seidel) method of tensors. Besides these, the convergence analysis of the iterative technique is also investigated within the framework of the Einstein product.     

Spectroscopic, potentiometric and theoretical studies on the binding properties of a novel tripodal polycatechol-imine ligand towards iron(III)

A novel multidentate tripodal ligand, cis,cis-1,3,5-tris[(2,3-dihydroxybenzylidene)aminomethyl]cyclohexane (TDBAC, L) containing one catechol unit in each arms of a tripodal amine, cis,cis-1,3,5-tris(aminomethyl)cyclohexane was investigated as a chelator for iron(III) through potentiometric and spectrophotometric methods in an aqueous medium of 0.1N ionic strength and 25+/-1 degrees C as well as in ethanol by continuous variation method. From pH metric in water, three protonation constants characterized for the three-hydroxyl groups of the catechol units at ortho were used as input data to evaluate the stability constants of the complexes. Formation of monomeric complexes FeLH3, FeLH2, FeLH and FeL were depicted. In ethanol, formation of complexes FeL, Fe2L and Fe3L were characterized. Structures of the complexes were explained by using the experimental evidences and predicted through molecular modeling calculations. The ligand showed potential to coordinate iron(III) through three imine nitrogens and three catecholic oxygens at ortho to form a tris(iminocatecholate) type complex.     

Lifetime measurements of SO2 below the Clement's A-band

High resolution laser induced fluorescence spectrum of jet-cooled SO(2) is recorded toward the blue side of the Clement's A-Band in the region of 314-319 nm. Time resolved fluorescence measurements have been carried out for all the prominent peaks in this region. Most of the peaks exhibited double exponential decay profiles. Some of the rovibronic bands exhibited quantum beats with strong quantum beats observed at 315.261 and 315.271 nm. This is the first observation of quantum beats in SO(2) in the absence of any external magnetic or electric fields. The decay profiles of the beating rovibronic bands were fitted using a four-level model by least-squares fitting method. The fitting shows that all the measured bands were double exponential with a similar first lifetime of approximately 3 mus and a varying second lifetime of the order of 1 micros-100 ns with a beating frequency of approximately 1 MHz. These quantum beats, in the absence of any external field, indicate rotational level mixing between the A (1)A(2) and the B (1)B(1) vibronic states which are near resonant due to the high density of states of these two states.