A theoretical perspective on the accuracy of rotational resonance (R 2)-based distance measurements in solid-state NMR

The application of solid-state NMR methodology for bio-molecular structure determination requires the measurement of constraints in the form of ¹³C–¹³C and ¹³C–¹⁵N distances, torsion angles and, in some cases, correlation of the anisotropic interactions. Since the availability of structurally important constraints in the solid state is limited due to lack of sufficient spectral resolution, the accuracy of the measured constraints become vital in studies relating the three-dimensional structure of proteins to its biological functions. Consequently, the theoretical methods employed to quantify the experimental data become important. To accentuate this aspect, we re-examine analytical two-spin models currently employed in the estimation of ¹³C–¹³C distances based on the rotational resonance (R ²) phenomenon. Although the error bars for the estimated distances tend to be in the range 0.5–1.0 Å, R ² experiments are routinely employed in a variety of systems ranging from simple peptides to more complex amyloidogenic proteins. In this article we address this aspect by highlighting the systematic errors introduced by analytical models employing phenomenological damping terms to describe multi-spin effects. Specifically, the spin dynamics in R ² experiments is described using Floquet theory employing two different operator formalisms. The systematic errors introduced by the phenomenological damping terms and their limitations are elucidated in two analytical models and analysed by comparing the results with rigorous numerical simulations.     

A Novel and Efficient One Pot Synthesis of 2,4‐Disubstituted Thiazoles and Oxazoles Using Phenyltrimethylammoniumtribromide in Ionic Liquid

A novel and efficient one‐pot procedure has been described for synthesis of 2,4‐disubstituted thiazoles and oxazoles from substituted ketones using phenyltrimethylammoniumtribromide as in situ brominating agent followed by reaction with thioamide/thiourea and amides/ureas, respectively in [bmim][BF₄] ionicliquid. The advantages of the procedure include avoiding the handling of lacrymetric compounds, hazardous and toxic organic solvents along with good to excellent yield of the products.     

Preparation of highly crystalline blue emitting MVO4:Tm (M=Gd, Y) spherical nanoparticles: Effects of activator concentration and annealing temperature on luminescence, lifetime and quantum yield

Highly crystalline spherical nanoparticles of MVO₄:Tm³⁺ (M=Gd, Y) having a size of 20–45 nm were prepared using ethylene glycol as both capping agent and reaction medium. X-ray diffraction study shows linear decrease in the unit cell volume with an increase in Tm³⁺ concentrations in MVO₄ (M=Gd, Y; Tm³⁺=0, 2, 5, 7, 10, 15, 20, 40, 60, 80 and 100 at%), indicative of quantitative substitution of Gd³⁺/Y³⁺ lattice sites by Tm³⁺ ions in MVO₄. Blue light emission at 475 nm is observed after excitation at 310 nm due to energy transfer from VO₄³⁻ absorption band to Tm³⁺. Emission intensity and average decay lifetime increase with an increase in heat treatment from 500 to 900 °C. This has been attributed to an extent of reduction in non-radiative process arising from surface. The emission intensity of Tm³⁺ in GdVO₄ host is higher than that in YVO₄ and thus the former host is better. Quantum yield increases with increase in heat-treatment temperature. This material will be the alternative blue light emitter.     

Stabilization of ferromagnetism in Mn doped ZnO with C co-doping

We present a method for stabilizing ferromagnetism in Mn doped ZnO. We find that Mn doped ZnO show anti-ferromagnetic order in the absence of additional carriers. When Mn doped ZnO is co-doped with C atom at O sites ferromagnetic state gets stabilized. The C doping creates holes which leads to stabilization of ferromagnetic state via hole mediated double exchange mechanism.     

Polymer patterns in evaporating droplets on dissolving substrates

Self-organized polymer patterns resulting from the evaporation of an organic solvent drop on a soluble layer of polymer are investigated. The patterns can be modulated by changing the rate of evaporation and also the rate of substrate dissolution controlled by its solubility. Both of these affect the contact zone motion and its instabilities, leading to spatially variable rates of substrate etching and redeposition that result from a complex interplay of several factors such as Rayleigh-Benard cells, thermocapillary flow, solutal Marangoni flow, flow due to differential evaporation, osmotic-pressure-induced flow, and contact-line pinning-depinning events. The most complex novel pattern, observed at relatively low rates of evaporation, medium solubility, and without macroscopic contact-line stick-slip, consists of a regularly undulating ring made up of a bundle of parallel spaghetti-like threads or striations and radially oriented fingerlike ridges. Increased rate of evaporation obliterates the polymer threads, producing more densely packed fingers and widely separated multiple rings due to a frequent macroscopic pinning-depinning of the contact line. Near-equilibrium conditions such as slow evaporation or increased solubility of the substrate engender a wider and less undulating single ring.     

Lewis acid-promoted annulation of O-quinonediimines by allylstannane: a facile synthesis of quinoxaline derivatives

[reaction: see text] Lewis acid-promoted addition of allyltri-n-butylstannane to o-quinonediimines afforded tetrahydroquinoxaline derivatives or allylated amides depending on the nature of the substituent on imine nitrogen.     

Magnetoelectric characterization of xNi0.75Co0.25Fe2O4-(1−x)BiFeO3 nanocomposites

Magnetoelectric (ME) nanocomposites containing Ni_0.75Co_0.25Fe₂O₄-BiFeO₃ phases were prepared by citrate sol-gel process. X-ray diffraction (XRD) analysis showed phase formation of xNi_0.75Co_0.25Fe₂O₄-(1−x)BiFeO₃ (x=0.1, 0.2, 0.3 and 0.4) composites on heating at 700 °C. Transmission electron microscopy revealed the formation of powders of nano order size and the crystal size was found to vary from 30 to 85 nm. Dispersion in dielectric constant (ε) and dielectric loss (tan δ) in the low-frequency range have been observed. It is seen that nanocomposites exhibit strong magnetic properties and a large ME effect. On increasing Ni_0.75Co_0.25Fe₂O₄ contents in the nanocomposites, the saturation magnetization (M_S) and coercivity (H_C) increased after annealing at 700 °C. The large ME output in the nanocomposites exhibits strong dependence on magnetic bias and magnetic field frequency. The large value of ME output can be attributed to small grain size of ferrite phase of nanocomposite being prepared by citrate precursor process.     

10 Gbps optical soliton transmission link using in-line SOA on standard SMF at 1.3 μm

In this paper, 10 Gbps optical soliton transmission link using in-line semiconductor optical amplifiers (SOAs) for already installed standard single mode fibers (SMF) at 1.3 μm wavelength has been reported. The pattern effect and the impact of chirp on pulse propagation after amplification have been investigated. The observations are based on modeling and simulation optical soliton transmission link. Optical soliton pulse transmission over distances of the order of several hundreds of kilometers has been shown with and without initial chirp.     

Estimation of a parameter of Morgenstern type bivariate exponential distribution by ranked set sampling

Ranked set sampling is applicable whenever ranking of a set of sampling units can be done easily by a judgement method or based on the measurement of an auxiliary variable on the units selected. In this work, we consider ranked set sampling, in which ranking of units are done based on measurements made on an easily and exactly measurable auxiliary variable X which is correlated with the study variable Y. We then estimate the mean of the study variate Y by the BLUE based on the measurements made on the units of the ranked set sampling regarding the study variable Y, when (X ,Y) follows a Morgenstern type bivariate exponential distribution. We then consider unbalanced multistage ranked set sampling and estimate the mean of the study variate Y by the BLUE based on the observations made on the units of multistage ranked set sample regarding the study variable Y. Efficiency comparison is also made on all estimators considered in this work.