Pronounced variation in the collective dynamics of highly correlated lightest liquid alkali metal: Lithium

Recently measured inelastic X-ray spectra (IXS) of detailed coherent dynamical structure factor S(κ, ω) and hence the equilibrium collective dynamics, of the lightest liquid alkali metal, lithium at 475 K, have been successfully explained using the modified microscopic theory of the collective dynamics of a simple liquid, in a huge wave-vector, κ, range: 1.4 nm^?1 ≤ κ ≤ 110.0 nm^?1, ?κ is the linear momentum transfer. The role of single particle motion in the collective dynamics of the liquid changes from diffusive for smaller values of wave-vector, κ < 21 nm^?1 to that of a free particle for higher κ-values, 21 nm^?1 ≤ κ ≤ 110 nm^?1. The quantum correction due to detailed balance condition in S(κ, ω) for liquid Li, whose dynamics, unlike that of quantum liquid ⁴He, is essentially classical, yields results in better agreement with the corresponding experimental S(κ, ω) and the quantum correction becomes significant for higher values of κ and ω. The wave-vector dependent variation of longitudinal viscosity, η_l, is in good agreement with the corresponding results obtained from memory function approach. The wave-vector dependent variation of single characteristic relaxation time lies in between the variation of two relaxation times of memory function approach.     

Synthesis and biological activities of 2-methyl-4-N-2′-cyanoethyl-N-substituted benzaldehydes and their derivatives

Synthesis and antiAIDS, anticancer, antitubercular, fungicidal and antibacterial activities of 2-methyl-4-N-2′-cyanoethyl-N-methane/benzenesulphonylaminobenzaldehyde and their hydrazones are reported.     

A homology/ab initio hybrid algorithm for sampling near‐native protein conformations

One of the major challenges for protein tertiary structure prediction strategies is the quality of conformational sampling algorithms, which can effectively and readily search the protein fold space to generate near‐native conformations. In an effort to advance the field by making the best use of available homology as well as fold recognition approaches along with ab initio folding methods, we have developed Bhageerath‐H Strgen, a homology/ab initio hybrid algorithm for protein conformational sampling. The methodology is tested on the benchmark CASP9 dataset of 116 targets. In 93% of the cases, a structure with TM‐score ≥ 0.5 is generated in the pool of decoys. Further, the performance of Bhageerath‐H Strgen was seen to be efficient in comparison with different decoy generation methods. The algorithm is web enabled as Bhageerath‐H Strgen web tool which is made freely accessible for protein decoy generation ( http://www.scfbio‐iitd.res.in/software/Bhageerath‐HStrgen1.jsp ). © 2013 Wiley Periodicals, Inc.     

An example of hydrate-keto equilibrium

The hydrate of 1,1,1,5,5,5-hexafluoro-2-hydroxy-2-methylpentan-4-one has been shown to exist in a hydrate-keto equilibrium in acetone and ether solutions using ¹H and ¹⁹F magnetic resonance. The equilibrium percentages of the keto and hydrate forms as determined from ¹⁹F resonance are 30 and 70, respectively.     

Polymerization of 1,1,1-trifluoroacetone with aliphatic secondary amines. A proton and fluorine magnetic resonance investigation

The polymerization of 1,1,1-trifluoroacetone with aliphatic secondary amines is reported. The polymerization product is found to be a mixture of four diastereoisomers of the cyclic trimer, the structure of which has been determined using proton and fluorine magnetic resonance spectroscopy. The proportions of the isomers have been estimated to be 70:19:8:3 from the ¹⁹F resonance spectrum. A comparative study of the reaction products of trifluoroacetone with metallic sodium and diethylamine is also discussed.     

Estimation risk and stability of optimal portfolio composition

The mean-variance portfolio models indicate that for optimal investment decisions, the ‘true’ ex-ante values of the model parameters should be used. Instead, in practice, ex-post parameter estimates are used. If in the estimation process, the probability distribution of estimators is not known, there is a problem of estimation risk. This paper investigates the impact of estimation risk on the composition of optimal portfolios. As the multivariance distribution of the vector of optimal portfolio weights allocated to risky assets is analytically intractable, a use of the Monte Carlo simulation experimental is made. This study suggests that the composition of optimal portfolio is relatively more stable when the estimates of model parameters are obtained from longer series of historical observations or the expected portfolio return is low.     

A review on quantum well structures in photonic devices for enhanced speed and span of the transmission network

Quantum well devices feature heterostructures of very thin epitaxial layers of group III-V and II-VI semiconductor materials. Quantum well devices are integrated monolithically with various optoelectronics devices to provide photonic integrated circuits. The representative structure could be realized with GaAs wells with GaAlAs barriers for wavelengths around 0.9 μm and InGaAsP are used for longer wavelengths. Together with quantum well, superlattice structure is another popular design for InGaAs Avalanche Photo Diode (APD). Quantum well structures find their applications in improved lasers, superlattice for photodiodes, modulators and switches. Consequences of quantum well theory are available today in terms of quantum wires and quantum dots. Upon the application of the normal electric field to quantum well structures, exciton pairs becomes more and more confined and the sharp exciton absorption peaks are observed. The effect is termed as “Quantum Confined Stark Effect”. The electro-absorption effect is approximately 50 times larger in multiple quantum well structures than it is in bulk semiconductors. Another electro-absorption effect known as “Franz Keldysh Effect” has been employed in monolithic waveguide detector. These effects lead to electro-absorption lasers (EAL) as well as electro-absorption laser modulators (EML).     

Higher order differential-integral microphone arrays

This paper develops theory to design higher order directional microphone arrays. The proposed higher order designs have similar inter sensor spacings as traditional first and second order differential arrays. The Jacobi-Anger expansion is used to exploit the underlying structure of microphone signals from pairs of closely spaced sensors. Specifically, the difference and sum of these microphone signals are processed to design the novel directional array.     

Theory of collective motion of interacting gas of polyvalent Hg atoms at 3.0, 6.3 and 9.0 particles per nm

Collective dynamics of interacting gaseous mercury at high temperatures and pressures having densities of 3.0, 2.1 and 1.0 g cm⁻³, as determined very recently by the measurement of dynamical structure factor using the inelastic X-ray scattering, have been successfully explained, making use of the recently modified microscopic theory of a simple fluid. It also turns out that in determining the collective dynamics of all the three systems of the mercury vapor, the two body interactions, as prevalent in a weakly interacting system, play a dominant role.