Method of all-optical frequency-encoded binary adder system using nonlinear waveguide and reflecting semiconductor optical amplifiers

Arithmetic and algebraic operations are the most important part of optical computation and data processing. To implement the optical logic operations, different data encoding/decoding techniques have been reported. Frequency variant encoding/decoding technique is now performing a very faithful role in this regard. Frequency is the fundamental character of any signal and it remains unaltered in reflection, refraction, absorption, etc. during propagation and transmission of the signal. This is the most potential advantage of the frequency encoding technique over any other conventional encoding techniques. Here, in our proposed scheme of addition of binary bits made of two encoded frequencies in C-band (1535-1560 nm), the conjugate beam is generated in LiNbO₃ waveguide using cascaded sum and difference frequency generation by the nonlinear interaction with a third frequency, exploiting the nonlinear response character of periodically poled LiNbO₃ waveguide. The cross-gain modulation property of reflecting semiconductor optical amplifier (RSOA) has also been exploited here for frequency conversion purposes.     

Casson fluid flow and heat transfer over a nonlinearly stretching surface

A boundary layer analysis is presented for non-Newtonian fluid flow and heat transfer over a nonlinearly stretching surface. The Casson fluid model is used to characterize the non-Newtonian fluid behavior. By using suitable transformations, the governing partial differential equations corresponding to the momentum and energy equations are converted into non-linear ordinary differential equations. Numerical solutions of these equations are obtained with the shooting method. The effect of increasing Casson parameter is to suppress the velocity field. However the temperature is enhanced with the increasing Casson parameter.     

Estimation of relative order tensors, and reconstruction of vectors in space using unassigned RDC data and its application

Advances in NMR instrumentation and pulse sequence design have resulted in easier acquisition of Residual Dipolar Coupling (RDC) data. However, computational and theoretical analysis of this type of data has continued to challenge the international community of investigators because of their complexity and rich information content. Contemporary use of RDC data has required a-priori assignment, which significantly increases the overall cost of structural analysis. This article introduces a novel algorithm that utilizes unassigned RDC data acquired from multiple alignment media (nD-RDC, n  3) for simultaneous extraction of the relative order tensor matrices and reconstruction of the interacting vectors in space.Estimation of the relative order tensors and reconstruction of the interacting vectors can be invaluable in a number of endeavors. An example application has been presented where the reconstructed vectors have been used to quantify the fitness of a template protein structure to the unknown protein structure. This work has other important direct applications such as verification of the novelty of an unknown protein and validation of the accuracy of an available protein structure model in drug design. More importantly, the presented work has the potential to bridge the gap between experimental and computational methods of structure determination.     

Conformational Dynamics in the Core of Human Y145Stop Prion Protein Amyloid Probed by Relaxation Dispersion NMR

Microsecond to millisecond timescale backbone dynamics of the amyloid core residues in Y145Stop human prion protein (PrP) fibrils were investigated by using ¹⁵N rotating frame (R_1ρ) relaxation dispersion solid-state nuclear magnetic resonance spectroscopy over a wide range of spin-lock fields. Numerical simulations enabled the experimental relaxation dispersion profiles for most of the fibril core residues to be modelled by using a two-state exchange process with a common exchange rate of 1000 s⁻¹, corresponding to protein backbone motion on the timescale of 1 ms, and an excited-state population of 2 %. We also found that the relaxation dispersion profiles for several amino acids positioned near the edges of the most structured regions of the amyloid core were better modelled by assuming somewhat higher excited-state populations (∼5–15 %) and faster exchange rate constants, corresponding to protein backbone motions on the timescale of ∼100–300 μs. The slow backbone dynamics of the core residues were evaluated in the context of the structural model of human Y145Stop PrP amyloid.     

Thickness induced structural changes in polystyrene films

Changes to the structure of polystyrene melt films as measured through the spectrum of density fluctuations have been observed as a function of film thickness down to the polymer radius of gyration (Rg). Films thicker than 4Rg show bulklike density fluctuations. Thinner films exhibit a peak in S(q) near q=0 which grows with decreasing thickness. This peak is attributed to a decreased interpenetration of chains resulting in an enhanced compressibility. Measurements were made using small angle x-ray scattering in a standing wave geometry designed to enhance scattering from the interior of the film compared to interface scattering.     

Rotational dynamics of propylene inside Na-Y zeolite cages

We report here the quasielastic neutron scattering (QENS) studies on the dynamics of propylene inside Na-Y zeolite using triple axis spectrometer (TAS) at Dhruva reactor, Trombay. Molecular dynamics (MD) simulations performed on the system had shown that the rotational motion involves energy larger than that involved in the translational motion. Therefore, rotational motion was not observed in our earlier QENS studies on propylene adsorbed Na-Y zeolite using a higher resolution spectrometer at Dhruva. Analysis of the TAS spectra revealed that the quasielastic broadening observed in propylene-loaded zeolite spectra is due to the rotational motion of the propylene molecules. This is consistent with our simulation result. Further, the rotational motion is found to be isotropic. The rotational diffusion coefficient has been obtained.      

Ionic Assembly,Anion–π, Magnetic,and Electronic Attributes of Ambient Stable Naphthalenediimide Radical Ions

Organic spin-based molecular materials are considered to be attractive for the generation of functional materials with emergent optoelectronic, magnetic, or magneto-conductive properties. However, the major limitations to the utilization of organic spin-based systems are their high reactivity, instability, and propensity for dimerization. Herein, we report the synthesis, characterization, and magnetic and electronic studies of three ambient stable radical ions ( 1 a^.+ , 1 b^.+ , and 1 c^.+ ). The radical ions 1 b^.+ and 1 c^.+ with BPh₄⁻ and BF₄⁻ counter anions, respectively, were synthesized in excellent yields by means of anion metathesis of 1 a^.+ with Br⁻ as its counter anion. Notably, synthesis of 1 a^.+ was achieved in an ecofriendly, solvent-free protocol. The radical ions were characterized by means of single-crystal X-ray diffraction studies, which revealed the discrete nature of the radical ions and extensive hydrogen-bonding interactions within the radical ions and with the counter anions. Thus, radical ions can be organized to form infinite supramolecular arrays using weak noncovalent interactions. In addition, the Br⁻, BF₄⁻, and BPh₄⁻ anions formed diverse types of anion–π interactions with the naphthalene and imide rings of the radical ions. The radical ions were characterized by means of X-band electron paramagnetic resonance (EPR) spectroscopy in solution and in the solid state. Magnetic studies revealed their paramagnetic nature in the range of 10 to 300 K. The radical ions exhibited high resistivity approaching the gigaohm (GΩ) scale. In addition, the radical ions exhibited panchromism.     

A study on anomalous yield drop behaviour in modified beta titanium alloys

ABSTRACT

The yield drop phenomenon observed in the Ti–15V-3Al–3Sn-3Cr (Ti–15–3) beta-titanium alloy and its anomalous behaviour in the boron and carbon added Ti–15–3 alloys have been studied. While the base and the carbon containing alloys exhibit yield drop, the boron containing alloy with smaller grain size than base alloy does not appear to show this phenomenon. Tensile tests were interrupted at different stress levels followed by analyses of slip lines and sub-structural characteristics using scanning and transmission electron microscopes to understand this anomalous yield point phenomenon. Infrared thermal imaging technique was used to map the strain localisation and the spatiotemporal evolution of deformation along the gauge length of the specimens during the tensile tests. Deformation in these alloys initiates only in a few grains. Pile-up of dislocations in these grains subsequently triggers the formation of dislocations in other grains and their rapid multiplications. The spreading of deformation by the generation of dislocations from pile up dislocations in one grain to neighbouring un-deformed grains and their rapid multiplication to new regions influence the yield drop phenomenon and its characteristics. It is shown in this study that microscopic instability in the grain level is a necessary, but not the sufficient condition for the manifestation of macroscopic instability during tensile deformation in polycrystalline materials. The presence of boride particles at grain boundaries restricts the slip transfer across the grains as well as the spreading of deformation to new regions, which causes the suppression of yield drop in the boron containing alloy.     

Supramolecular Arrangement and DFT analysis of Zinc(II) Schiff Bases: An Insight towards the Influence of Compartmental Ligands on Binding Interaction with Protein

We report, for the first time, a detailed crystallographic study of the supramolecular arrangement for a set of zinc(II) Schiff base complexes containing the ligand 2,6-bis((E)-((2-(dimethylamino)ethyl)imino)methyl)-4-R-phenol], where R=methyl/tert-butyl/chloro. The supramolecular study acts as a pre-screening tool for selecting the compartmental ligand R of the Schiff base for effective binding with a targeted protein, bovine serum albumin (BSA). The most stable hexagonal arrangement of the complex [Zn − Me] (R=Me) stabilises the ligand with the highest FMO energy gap (ΔE=4.22 eV) and lowest number of conformations during binding with BSA. In contrast, formation of unstable 3D columnar vertebra for [Zn − Cl] (R=Cl) tend to activate the system with lowest FMO gap (3.75 eV) with highest spontaneity factor in molecular docking. Molecular docking analyses reported in terms of 2D LigPlot+ identified site A, a cleft of domains IB, IIIA and IIIB, as the most probable protein binding site of BSA. Arg144, Glu424, Ser428, Ile455 and Lys114 form the most probable interactions irrespective of the type of compartmental ligands R of the Schiff base whereas Arg185, Glu519, His145, Ile522 act as the differentiating residues with ΔG=−7.3 kcal mol⁻¹.