Self-assembly of a luminescent zinc(II) complex: a supramolecular host-guest fluorescence signaling system for selective nitrobenzene inclusion

A luminescent Zn(II) complex, [Zn(bpy)(aba)2] (1) {bpy = 2,2'-bipyridyl and aba = 4-dimethylaminobenzoate} has been synthesized as a white solid. Complex 1 shows unusually high selectivity toward nitrobenzene in the presence of other organic guests in solution, as well as in the vapor phase, resulting in both a dramatic color change and a concomitant quenching of luminescence. When crystallized from nitrobenzene, 1 affords deep red crystals with the composition [Zn(bpy)(aba)2] x C6H5NO2 (2) as a hydrogen-bonded channel structure via unusual intermolecular C-H...C(sp3) and H...H interactions. Inside the channels, nitrobenzene molecules form infinite polar linear tapes through strong C-H...O interactions in a head-to-tail fashion. The desorption and resorption of nitrobenzene can be achieved in a thermally reversible manner that can be monitored by X-ray powder diffraction patterns.     

Simultaneous Determination of Acetylsalicylic Acid and Caffeine in Pharmaceutical Formulation by First Derivative Synchronous Fluorimetric Method

A sensitive, rapid, and specific assay has been developed for the simultaneous determination of acetylsalicylic acid and caffeine in commercial tablets based on their natural fluorescence. The mixture of these drugs was resolved by first derivative synchronous fluorimetric technique using two scans. At Δλ=106 nm, using first derivative synchronous scanning, only acetylsalicylic acid yields a detectable signal at 316 nm (peak to zero method) which is unaffected by caffeine. At Δλ=30 nm, the signal of caffeine at 288 nm (peak to zero method) is not affected by acetylsalicylic acid. The range of application is between 0.021 and 41.62 μg ml⁻¹ (correlation coefficient, R=0.9995) for acetylsalicylic acid and between 0.4486 and 44.86 μg ml⁻¹ (correlation coefficient, R=0.99786) for caffeine. The recovery range of 98.40–102% for acetylsalicylic acid and 90–100.5% for caffeine from their synthetic mixture was reported. Overall recovery of both compounds about 97–99% for acetylsalicylic acid and 97–98% for caffeine was obtained from real sample analysis. The detection limits are 0.0013 μg ml⁻¹ and 0.0306 μg ml⁻¹ for acetylsalicylic acid and caffeine, respectively. The relative standard deviation (n=10) for 20 μg ml⁻¹ of acetylsalicylic acid is 2.75% and for 2.2 μg ml⁻¹of caffeine is 1.7%.     

Field-induced phase transitions and reversible field-induced inversion of chirality in tilted smectic phases of bent-core mesogens

Three homologous achiral five-ring bent-core mesogens are presented where 4-chlororesorcinol is the central core and the aromatic rings are linked by ester groups. These compounds form smectic phases with a tilted arrangement of the molecules (tilt angle ≈ 45^°). On cooling the isotropic liquid this phase adopts a fan-like texture which shows for two homologues at relatively high electric fields ( 25-35V μm^-1) an antiferroelectric electro-optical response based on the collective rotation of the molecules around their long axes. At lower temperature the application of a sufficiently high electric field leads to a continuous transition into a non-birefringent texture which exhibits randomly distributed domains of opposite handedness. These domains can be reversibly switched into a state of opposite chirality by reversal of the field polarity. This switching is bistable and shows a current response typical for a ferroelectric ground state. The possible mechanism of the field-induced phase transition, of the ferroelectric switching and of the field-induced inversion of the chirality is discussed on the base of XRD, ¹³C- and ¹H-NMR investigations, dielectric and electro-optical measurements.     

Hall effect on MHD free convection boundary layer flow past a vertical flat plate

Effects of Hall current on MHD free convection boundary layer flow of a viscous incompressible electrically conducting fluid past a heated vertical flat plate of finite dimension in the presence of a uniform transverse magnetic field have been studied. An exact solution of the governing equations describing the flow has been obtained. The velocity field, induced magnetic field and bulk temperature distributions in the boundary layer flow have been discussed. It is found that the velocity components increase with an increase in Hall parameter. It is noticed that the induced magnetic field components are radically influenced by the Hall parameter. It is also found that the magnitude of bulk temperature in the x-direction decreases with an increase in either Hall parameter or magnetic parameter. On the other hand, the magnitude of the bulk temperature in the z-direction increases with an increase in Hall parameter whereas it decreases with an increase in magnetic parameter.     

Hybrid phase synchronization between identical and nonidentical three-dimensional chaotic systems using the active control method

In this article, the active control method is used to investigate the hybrid phase synchronization between two identical Rikitake and Windmi systems, and also between two nonidentical systems taking Rikitake as the driving system and Windmi system as the response system. Based on the Lyapunov stability theory, the sufficient conditions for achieving the hybrid phase synchronization of two chaotic systems are derived. The active control method is found to be very effective and convenient to achieve hybrid phase chaos synchronization of the identical and nonidentical chaotic systems. Numerical simulation results which are carried out using the Runge–Kutta method show its feasibility and effectiveness for the synchronization of dynamical chaotic systems.     

Numerical simulation and PIV study of compressible vortex ring evolution

Formation and evolution of a compressible vortex ring generated at the open end of a short driver section shock tube has been simulated numerically for pressure ratios (PR) of 3 and 7 in the present study. Numerical study of compressible vortex rings is essential to understand the complicated flow structure and acoustic characteristics of many high Mach number impulsive jets where simultaneously velocity, density and pressure fields are needed. The flow development, incident shock formation, shock diffraction, vortex ring formation and its evolution are simulated using the AUSM+ scheme. The main focus of the present study is to evaluate the time resolved vorticity field of the vortex ring and the shock/expansion waves in the starting jet for short driver section shock tubes—a scenario where little data are available in existing literature. An embedded shock and a vortex induced shock are observed for PR =  7. However the vortex ring remains shock free, compact and unaffected by the trailing jet for PR =  3. Numerical shadowgraph shows the evolution of embedded shock and shock/expansion waves along with their interactions. The velocity and vorticity fields obtained from simulation are validated with the particle image velocimetry results and these data match closely. The translational velocity of the vortex ring, velocity across the vortex and the centre line velocity of the jet obtained from simulation also agree well with the experimental results.     

Scattered waves and motions of marine vessels advancing in a seaway

The steady forward motion of a marine vessel modifies the incident and scattered waves as well as its dynamic characteristics in a seaway. Small amplitude assumptions of the surface waves and vessel dynamic responses lead to linearization of the potential flow problem and its solution in the frequency domain. The mathematical formulation adopts a translating coordinate system at the vessel forward speed. The free surface boundary condition accounts for the modification of the uniform current around the vessel and a new radiation condition takes into account the Doppler shift of the scattered waves. A boundary element model, based on the Rankine source distribution, describes the steady and oscillatory flows around the vessel. Stokes’ theorem allows evaluation of the surface integrals involving the so-called m-terms due to oscillation of the vessel in a current. Through a numerical experiment with a Wigley hull form, we establish the convergence of the numerical model, verify the radiation condition, and examine the scattered wave patterns for a full range of forward speeds. Previous laboratory data provides validation of the computed hydrodynamic coefficients and dynamic response as well as the potential flow model for general seakeeping applications.     

Evaluating the effect of different test parameters on the tensile mechanical properties of single crystal silver nanowires using molecular dynamics simulation

Nanowires show amazing mechanical properties with respect to their bulk counterpart owing to their very high specific surface and/or interface area and, thus, are widely studied among several researchers. But it is difficult to study the mechanical properties of nanowires at atomistic level, and computational tools provide the required solution. Molecular dynamics simulation studies were carried out in this work to evaluate the mechanical properties of single crystal silver nanowire subjected to tensile deformation under varying wire diameter (4–14 nm), test temperature (100–500 K), and strain velocity (1–6 Å/ps). The simulation were carried out in analogous to real experiment, and the engineering stress and strain were calculated from the simulation result of load and displacement data. The mechanical properties like yield strength and Young’s modulus were calculated from the engineering stress-strain curve. The effect of different test parameters like wire diameter, equilibration temperature, and strain velocity on the mechanical properties were also thoroughly investigated. The result shows that single crystal silver nanowire shows excellent mechanical properties and, thus, can be used as a reinforcing agent to develop ultra-high strength advanced materials for defense and aerospace applications.     

Charmed hadrons from coalescence plus fragmentation in relativistic nucleus-nucleus collisions at RHIC and LHC

In a coalescence plus fragmentation approach we calculate the heavy baryon/meson ratio and the \(p_T\) spectra of charmed hadrons \(D^{0}\), \(D_{s}\) and \(\varLambda _{c}^{+}\) in a wide range of transverse momentum from low \(p_T\) up to about 10 GeV and discuss their ratios from RHIC to LHC energies without any change of the coalescence parameters. We have included the contribution from decays of heavy hadron resonances and also the one due to fragmentation of heavy quarks which do not undergo the coalescence process. The coalescence process is tuned to have all charm quarks hadronizing in the \(p_T\rightarrow 0\) limit and at finite \(p_T\) charm quarks not undergoing coalescence are hadronized by independent fragmentation. The \(p_T\) dependence of the baryon/meson ratios are found to be sensitive to the masses of coalescing quarks, in particular the \(\varLambda _{c}/D^{0}\) can reach values of about \(\mathrm 1\div 1.5 \) at \(p_T \approx \, 3\) GeV, or larger, similarly to the light baryon/meson ratio like \(p/\pi \) and \(\varLambda /K\), however a marked difference is a quite weak \(p_T\) dependence with respect to the light case, such that a larger value at intermediate \(p_T\) implies a relatively large value also for the integrated yields. A comparison with other coalescence model and with the prediction of thermal model is discussed.     

xF3(x,Q2) Structure Function and Gross-Llewellyn Smith Sum Rule with Nuclear Effect and Higher Twist Correction

We present an analysis of the xF₃(x,Q²) structure function and Gross-Llewellyn Smith(GLS) sum rule taking into account the nuclear effects and higher twist correction. This analysis is based on the results presented in[N.M. Nath, et al., Indian J. Phys. 90 (2016) 117]. The corrections due to nuclear effects predicted in several earlier analysis are incorporated to our results of xF₃(x,Q²) structure function and GLS sum rule for free nucleon, corrected upto next-next-to-leading order (NNLO) perturbative order and calculate the nuclear structure function as well as sum rule for nuclei. In addition, by means of a simple model we have extracted the higher twist contributions to the non-singlet structure function xF₃(x,Q²) and GLS sum rule in NNLO perturbative orders and then incorporated them to our results. Our NNLO results along with nuclear effect and higher twist corrections are observed to be compatible with corresponding experimental data and other phenomenological analysis.