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Pyridine derivatives have wide applications because of their activity, It also exhibits biological active properties such as antibacterial, antiviral, antifungal and antitumor. In the present investigation, 2-chloro-4-pyridinecarbonitrile was investigated in terms of structural, vibrational spectroscopic and theoretical analysis. All the theoretical calculations were done in B3LYP/6-311++G(d, p) level. The NBO analysis has been carried out to understand the probable charge transfer interaction present in the molecule. Additionally, the HOMO and the LUMO energies are calculated using B3LYP/6-31G(d, p) to determine the intra molecular charge transfers (ICT) within the molecule and the kinetic stabilities for eachphase. The molecular electrostatic potential surface (MESP) has been plotted and estimate the reactive sites of electrophilic and nucleophilic attacks of the molecule. The potential energy distribution (PED) has been calculated using VEDA4program and vibrational assignments of the experimental spectra (IR & Raman) have been elucidated using the calculated vibrational spectra. [ABSTRACT FROM AUTHOR]

The mesoscopic approach of MRT-LBM for solving various transient incompressible viscous fluid flow problems is studied. The multi-relaxation-time lattice Boltzmann method (MRT-LBM) is an alternative method and application to unsteady fluid flow problems is scarce. The MRT-LBM is used to solve three flow problems, namely, single lid-driven cavity flow, double lid-driven cavity with parallel wall motion and the double lid-driven cavity with antiparallel wall motion. The present MRT-LBM efficiently captures both steady and transient-state solutions of two-dimensional viscous fluid flow problems. Detailed results produced by the MRT-LBM scheme for all the three test cases are provided and compared with established numerical results. The close agreement of the results bears testimony to the validity of this approach. It is concluded that, the MRT-LBM scheme is likely to be very useful for the computation of transient viscous flows involving free shear layers. [ABSTRACT FROM AUTHOR]

In Wireless sensor networks (WSN) tiny sensor nodes are deployed in remote locations to collect information like temperature, moisture level, water level etc in the selected area. Information collected by sensor nodes is highly sensitive and vulnerable to different security attacks including Denial of Service (DoS) attack. Due to resource constraints providing security to the WSN is a difficult task. Successful authentication schemes used in wired networks are not suitable for WSN. Most of the available authentication schemes use more computations for encryption and decryption. This paper proposes a novel token-based authentication algorithm to provide security against Denial of Service attacks. The proposed algorithm has three different phases namely Registration phase, Authentication phase and New token creation phase to preserve user anonymity and provide secure authentication against DoS attacks. A simple private key based cryptography algorithm with minimal computation has been used for encryption and decryption which makes this algorithm more suitable for WSN. [ABSTRACT FROM AUTHOR]