Stereochemical control in the structures of linear δ,α‐hybrid tripeptides containing tetrahydrofuran amino acids

Structural and electronic properties of diastereomers of tetrahydrofuran amino acids (TAA) derived tripeptide, Boc‐TAA‐Leu‐Val‐OMe, are studied using density functional theory. Predicted secondary folding patterns with hydrogen bonded pseudocycles of different sizes in peptides containing (2R,5S)‐cis‐TAA and (2S,5R)‐cis‐TAA are confirmed by detailed NMR studies of both, and single crystal X‐ray analysis of the former. A novel unusual folding pattern emanating from three‐centered hydrogen bond is found in peptide with (2R,5S)‐cis relationship. Stereochemical control on the orientation of interacting sites is substantiated by structural analysis of the peptides. Using natural bonding orbital and atoms in molecules analyses, charge transfer interactions are analyzed. Copyright © 2010 John Wiley & Sons, Ltd.     

A $$p$$ -arton model for modular cusp forms

Theoretical and Mathematical Physics - To a modular form, we propose to associate $$($$ an infinite number of $$)$$ complex-valued functions on $$p$$ -adic numbers $$\mathbb{Q}_p$$ for each prime...     

MXenes in aqueous electrochemical energy systems

Journal of Solid State Electrochemistry - Since their discovery in 2011, MXenes are extensively studied as materials for electrochemical energy storage systems. The high electric conductivity, 2D...     

Hybrid Algorithm to Detect DDoS Attacks in VANETs

Wireless Personal Communications - Security and safety are fundamental issues in any wireless network. The problem becomes serious when the specified network is Vehicular Adhoc Network (VANET)....     

On the refinement of carbide precipitates by cryotreatment in AISI D2 steel

Refinement of carbide particles by cryotreatment is often proposed as a major factor for the improvement of wear resistance in tool steels. However, this proposition is not substantiated by experimental evidence. This has been examined in this report by (i) detailed micro-structural analyses of the nature, volume fraction, size, population density and distribution of carbide particles, (ii) XRD and EDX micro-analysis on the bulk samples and electrochemically extracted carbides, and (iii) measurement of hardness and wear rate of a series of differently cryotreated AISI D2 steel. The results conclusively establish that (i) cryotreatment, in comparison to conventional treatment, induces precipitation of finer carbides with higher volume fraction and more uniform distribution, and (ii) population density and the size of secondary carbide particles significantly increases with holding time up to a critical duration at 77 K in cryotreatment. The latter observation indicates the pioneering direction towards optimization of cryotreatment design for techno-economic benefit.     

Comparison of Different Multi-hop Algorithms to Improve the Efficiency of LEACH Protocol

Wireless Personal Communications - In the wireless sensor network, several sensor devices are distributed in an environment with a goal to collect data and then forward it to a base station which...     

Evaluating the impact of service quality on the dynamics of customer satisfaction in the telecommunication industry of Jorhat,Assam

Telecommunication Systems - Service quality acts as an antecedent to customer satisfaction (CS). Evaluation of service quality in an enterprise is vital to improve productivity and increase CS....     

Microstructural characterisation of proton irradiated niobium using X-ray diffraction technique

The microstructural parameters in pure Nb, irradiated with 5 MeV proton beam have been evaluated as a function of dose using X-ray diffraction line profile analysis. In order to assess the microstructural changes in the homogeneous region and in the peak damage region of the damage energy deposition profile, X-ray diffraction patterns have been collected using two different geometries (Bragg-Brentano and parallel beam geometries). Different X-ray line profile analysis like Williamson–Hall (W–H) analysis, modified W–H analysis, double-Voigt analysis, modified Rietveld technique and convolutional multiple whole profile fitting have been employed to extract the microstructural parameters like coherent domain size, microstrain within the domain, dislocation density and arrangement of dislocations. The coherent domain size decreases drastically along with increase in microstrain and dislocation density in the first dose for both the geometries. With increasing dose, a decreasing trend in microstrain associated with decrease in dislocation density is observed for both the geometries. This is attributed to the formation of defect clusters due to irradiation which with increasing dose collapse to dislocation loops to minimise the strain in the matrix. This is corroborated with the observation of black dots and loops in the TEM images. No significant difference is observed in the trend of microstructural parameters between the homogeneous and peak damage region of the damage profile.     

Solvation effect on the vertical ionization energy of adenine-thymine base pair: From microhydration to bulk

In the present work, we investigate the effect of aqueous environment on the vertical ionization potential (VIP) of adenine-thymine (AT) base pair using a multilayer equation of the motion-coupled cluster method. The microsolvation can cause both blue-shift and red-shit of the IP values. However, the bulk water environment always results in the red-shift of the vertical ionization potential. Our study shows that the correct treatment of the short-range interaction plays an essential role in determining the magnitude of the red-shift. We have developed a biased sampling scheme based on Koopmans' energy, which can significantly speed up the convergence with respect to the number of solvent-solute configurations.     

On robust classification using projection depth

This article uses projection depth (PD) for robust classification of multivariate data. Here we consider two types of classifiers, namely, the maximum depth classifier and the modified depth-based classifier. The latter involves kernel density estimation, where one needs to choose the associated scale of smoothing. We consider both the single scale and the multi-scale versions of kernel density estimation, and investigate the large sample properties of the resulting classifiers under appropriate regularity conditions. Some simulated and real data sets are analyzed to evaluate the finite sample performance of these classification tools.