Structural,spectral, experimental,and theoretical investigations of (E)-4-fluoro-N′-(pyridin-2-ylmethylene)benzohydrazide monohydrate

The structural and nonlinear optical properties of the Schiff base material, (E)-4-fluoro-N′-(pyridin-2-ylmethylene)benzohydrazide monohydrate (FPMBH) were studied. The experimental investigations were performed using Fourier transform infrared (FTIR), ultraviolet (UV) and nuclear magnetic resonance (NMR) spectral techniques. The computational analyses were made by DFT method. A comparison between experimental and theoretical predictions was made and interpreted. The maximum absorption wavelength was found by both experimental and theoretical analyses. The Hirshfeld surface analysis was performed to understand the various molecular interactions. Highest occupied and lowest unoccupied molecular orbitals (HOMO–LUMO) analysis was performed for the title molecule to know about the possible charge transfer taking place within the molecule. Reactivity features were also determined by molecular electrostatic potential (MEP) analysis. The third-order nonlinear optical studies were done by z-scan experiment, and the results were discussed.

     

Antioxidant and antibacterial activities of bark extracts from Commiphora berryi and Commiphora caudata

This study investigates the in vitro antioxidant and antimicrobial activities of eight extracts obtained from the dried barks of Commiphora berryi and Commiphora caudata (Burseraceae). The radical scavenging activity was assessed by 1,1-diphenyl-2-picryl hydrazyl (DPPH) and nitric oxide assays. The methanolic extracts of C. berryi and C. caudata showed significant DPPH radical scavenging activity, with IC?? values of 26.92 and 21.16?μg?mL?1, respectively, and low radical scavenging activity against the nitric oxide assay. The antimicrobial activity of the plants was tested against the Gram-positive and Gram-negative bacteria. The ethyl acetate, chloroform and petroleum ether extracts of C. berryi showed good antibacterial activity against Pseudomonas aeruginosa, with a minimum inhibitory concentration (MIC) of 0.26?mg?mL?1, whereas the ethyl acetate and methanol extracts of C. caudata showed moderate antimicrobial activity with an MIC of more than 2.0?mg?mL?1 against P. aeruginosa compared to the petroleum ether and chloroform extracts, which showed an MIC of 1.1?mg?mL?1. The methanolic extracts of C. berryi and C. caudata also showed moderate cytotoxic activity against a human mammary carcinoma cell line (MCF-7), with values IC?? of 82.6 and 88.4?μg?mL?1, respectively.     

Influence of substrate and film thickness on structural,optical and electrical properties of ZnO thin films

Transparent Zinc Oxide (ZnO) thin films have been grown on Si (100) and Sapphire (0001) substrates by RF magnetron sputtering for different growth time intervals (10, 30 and 60 min) to study the substrate and thickness effects. All the films have been grown at a substrate temperature of 450 °C. It has been found that the average growth rate on Si (100) substrate (8.6 nm/min) is higher than that on Sapphire (0001) substrate (2.6 nm/min) in an identical growth condition which clearly shows the virtual role of substrates. The lower growth rate on Sapphire (0001) suggests that the increasingly ordered and uniform growth due to less lattice mismatch. The grown films have been characterized by X‐ray diffraction (XRD), Reflectance, Photoluminescence (PL) and Hall measurements. The XRD result (FWHM) reveals that for lower growth time, the films grown on Si (100) is better than on Sapphire (0001). Conversely, for higher growth time, the films grown on Sapphire (0001) is better than on Si (100). The variation of strain behavior due to thickness on both substrates has been justified by UV‐Vis reflectance, photoluminescence and Hall effect measurements. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Crossover temperature (TCO) and temperature gradient of refractive indices and length to breadth ratio of 4O.m mesomorphic compounds – an optical study

Refractive indices as a function of temperature are measured in a number of liquid crystals which belong to the N-(p-n-butoxy benzylidene)-p-n alkyl anilines, 4O.m compounds of the famous Schiff’s base nO.m liquid crystal compounds with m = 4 to 10 and 12. The temperature gradient of refractive indices, dn_e/dT and dn_o/dT, of these compounds are estimated. It is well known that in the case of dn_o/dT, there exists a crossover temperature, T_CO, which exhibits an odd–even effect with the alkyl chain length as expected. Further, using the birefringence data, the length to breadth ratio, k, for these compounds is estimated, which shows not exactly even–odd effect but irregular change with the chain number. The results are discussed with the body of the data.     

Linker dependent bond rupture force measurements in single-molecule junctions

We use a modified conducting atomic force microscope to simultaneously probe the conductance of a single-molecule junction and the force required to rupture the junction formed by alkanes terminated with four different chemical link groups which vary in binding strength and mechanism to the gold electrodes. Molecular junctions with amine, methylsulfide, and diphenylphosphine terminated molecules show clear conductance signatures and rupture at a force that is significantly smaller than the measured 1.4 nN force required to rupture the single-atomic gold contact. In contrast, measurements with a thiol terminated alkane which can bind covalently to the gold electrode show conductance and force features unlike those of the other molecules studied. Specifically, the strong Au-S bond can cause structural rearrangements in the electrodes, which are accompanied by substantial conductance changes. Despite the strong Au-S bond and the evidence for disruption of the Au structure, the experiments show that on average these junctions also rupture at a smaller force than that measured for pristine single-atom gold contacts.     

Estimation and interpolation of underwater low frequency ambient noise spectrum using artificial neural networks

In this work, estimation of ambient noise spectrum influenced by wind speed and wave height carried out for the frequency range of 500 Hz to 5 kHz using Feed forward Neural Network (FNN) is presented. Ocean ambient noise measurements were made in the shallow waters of Bay of Bengal using a portable data acquisition system with a high sensitivity hydrophone at a depth of 5 m from the surface.100 sets of data covering a rage of wind speeds from 2.5 m/s to 8.5 m/s with approximately 15 sets of data falling within 1 m/s over the range of wind speed were used for training the FNN. The parameter wave height which contributes to the noise producing mechanism is also used for training along with wind speed. The results revealed that the proposed method is useful in the estimation and interpolation of underwater noise spectrum level and hence in simulation for the considered frequency range. These were confirmed by calculating the Mean Squared Error (MSE) between the experimental data and the simulation. As the measurements of the underwater ambient noise level are very difficult in remote oceanic regions, where conditions are often inhospitable, these studies seem to be relevant.     

Influence of quadrupole–quadrupole-type interaction on the chaotic dynamics of $$\alpha $$-helical proteins

We calculate the electronic band dispersion of graphene monolayer on a two-dimensional transition metal dichalcogenide substrate (GrTMD) around K and \(\mathbf{K}^{\prime }\) points by taking into account the interplay of the ferromagnetic impurities and the substrate-induced interactions. The latter are (strongly enhanced) intrinsic spin–orbit interaction (SOI), the extrinsic Rashba spin–orbit interaction (RSOI) and the one related to the transfer of the electronic charge from graphene to substrate. We introduce exchange field (M) in the Hamiltonian to take into account the deposition of magnetic impurities on the graphene surface. The cavalcade of the perturbations yield particle–hole symmetric band dispersion with an effective Zeeman field due to the interplay of the substrate-induced interactions with RSOI as the prime player. Our graphical analysis with extremely low-lying states strongly suggests the following: The GrTMDs, such as graphene on \(\hbox {WY}_{2}\), exhibit (direct) band-gap narrowing / widening (Moss–Burstein (MB) gap shift) including the increase in spin polarisation (P) at low temperature due to the increase in the exchange field (M) at the Dirac points. The polarisation is found to be electric field tunable as well. Finally, there is anticrossing of non-parabolic bands with opposite spins, the gap closing with same spins, etc. around the Dirac points. A direct electric field control of magnetism at the nanoscale is needed here. The magnetic multiferroics, like \(\hbox {BiFeO}_{3}\) (BFO), are useful for this purpose due to the coupling between the magnetic and electric order parameters.     

Cubic Quintic Septic Duffing oscillator: An analytical study

This paper deals with a particular arrangement of a statically balanced system using 3 springs of prescribed material stiffness and critical geometrical parameter. The dynamics is described by a nonlinear differential equation upto septic power following odd nonlinearity for small disturbance from static equilibrium position. The governing differential equation is solved analytically by the combination of the linearisation of the equation with the method of Harmonic Balancing to observe the low natural frequency at fixed point and a finite displacement range in the neighbourhood of the equilibrium point where the dynamic stiffness is low. By this approximation method, the behaviour of the displacement with increase in time as well as the phase-plot of Cubic Quintic Septic Duffing equation for a set of parameter values is studied at the equilibrium position and its neighbourhood.     

Wind dependence of ambient noise in shallow water of Bay of Bengal

This work reports on investigations into the wind dependence of ambient noise in the Bay of Bengal. Ambient noise measurements were made in the shallow water of Bay of Bengal using a portable broadband, high frequency data acquisition system together with a sensitive hydrophone suspended from the measuring platform at a depth of 5 m from the surface where the ocean depth was 25 m. Periodic measurements were carried out for one year corresponding to a wind speed range between 2 m/s and 9 m/s during summer, monsoon and winter seasons. The proportionality of the noise level with wind speed for frequencies ranging from 500 Hz to 6 kHz for each season was studied. The analysis reveals that the correlation between the wind speed and the ambient noise spectrum level was higher at lower frequencies. The results of empirical fitting based on analysis were used for noise level prediction and the model predictions compare well with the measured noise level. Further it was observed that the wind generated noise level measured during summer was approximately 8 dB less than that in other seasons. On the other hand the proportionality between the noise level and the wind speed was less during winter.