Ligand 5,10,15,20-Tetra(N-methyl-4-pyridyl)porphine (TMPyP4) Prefers the Parallel Propeller-Type Human Telomeric G-Quadruplex DNA over Its Other Polymorphs

The binding of ligand 5,10,15,20-tetra(N-methyl-4-pyridyl)porphine (TMPyP4) with telomeric and genomic G-quadruplex DNA has been extensively studied. However, a comparative study of interactions of TMPyP4 with different conformations of human telomeric G-quadruplex DNA, namely, parallel propeller-type (PP), antiparallel basket-type (AB), and mixed hybrid-type (MH) G-quadruplex DNA, has not been done. We considered all the possible binding sites in each of the G-quadruplex DNA structures and docked TMPyP4 to each one of them. The resultant most potent sites for binding were analyzed from the mean binding free energy of the complexes. Molecular dynamics simulations were then carried out, and analysis of the binding free energy of the TMPyP4-G-quadruplex complex showed that the binding of TMPyP4 with parallel propeller-type G-quadruplex DNA is preferred over the other two G-quadruplex DNA conformations. The results obtained from the change in solvent excluded surface area (SESA) and solvent accessible surface area (SASA) also support the more pronounced binding of the ligand with the parallel propeller-type G-quadruplex DNA.

An approximation to the QoS aware throughput region of a tree network under IEEE 802.15.4 CSMA/CA with application to wireless sensor network design

In the context of wireless sensor networks, we are motivated by the design of a tree network spanning a set of source nodes that generate packets, a set of additional relay nodes that only forward packets from the sources, and a data sink. We assume that the paths from the sources to the sink have bounded hop count, that the nodes use the IEEE 802.15.4 CSMA/CA for medium access control, and that there are no hidden terminals. In this setting, starting with a set of simple fixed point equations, we derive explicit conditions on the packet generation rates at the sources, so that the tree network approximately provides certain quality of service (QoS) such as end-to-end delivery probability and mean delay. The structures of our conditions provide insight on the dependence of the network performance on the arrival rate vector, and the topological properties of the tree network. Our numerical experiments suggest that our approximations are able to capture a significant part of the QoS aware throughput region (of a tree network), that is adequate for many sensor network applications. Furthermore, for the special case of equal arrival rates, default backoff parameters, and for a range of values of target QoS, we show that among all path-length-bounded trees (spanning a given set of sources and the data sink) that meet the conditions derived in the paper, a shortest path tree achieves the maximum throughput. (C) 2015 Elsevier B.V. All rights reserved.

A fast and accurate performance analysis of beaconless IEEE 802.15.4 multi-hop networks

We develop an approximate analytical technique for evaluating the performance of multi-hop networks based on beaconless IEEE 802.15.4 ( the ``ZigBee'' PHY and MAC), a popular standard for wireless sensor networks. The network comprises sensor nodes, which generate measurement packets, relay nodes which only forward packets, and a data sink (base station). We consider a detailed stochastic process at each node, and analyse this process taking into account the interaction with neighbouring nodes via certain time averaged unknown variables (e.g., channel sensing rates, collision probabilities, etc.). By coupling the analyses at various nodes, we obtain fixed point equations that can be solved numerically to obtain the unknown variables, thereby yielding approximations of time average performance measures, such as packet discard probabilities and average queueing delays. The model incorporates packet generation at the sensor nodes and queues at the sensor nodes and relay nodes. We demonstrate the accuracy of our model by an extensive comparison with simulations. As an additional assessment of the accuracy of the model, we utilize it in an algorithm for sensor network design with quality-of-service (QoS) objectives, and show that designs obtained using our model actually satisfy the QoS constraints (as validated by simulating the networks), and the predictions are accurate to well within 10% as compared to the simulation results in a regime where the packet discard probability is low. (C) 2015 Elsevier B.V. All rights reserved.

Low temperature solution processed high-kappa ZrO2 gate dielectrics for nanoelectonics

The high-kappa gate dielectrics, specifically amorphous films offer salient features such as exceptional mechanical flexibility, smooth surfaces and better uniformity associated with low leakage current density. In this work, similar to 35 nm thick amorphous ZrO2 films were deposited on silicon substrate at low temperature (300 degrees C, 1 h) from facile spin-coating method and characterized by various analytical techniques. The X-ray diffraction and X-ray photoelectron spectroscopy reveal the formation of amorphous phase ZrO2, while ellipsometry analysis together with the Atomic Force Microscope suggest the formation of dense film with surface roughness of 1.5 angstrom, respectively. The fabricated films were integrated in metal-oxide-semiconductor (MOS) structures to check the electrical capabilities. The oxide capacitance (C-ox), flat band capacitance (C-FB), flat band voltage (V-FB), dielectric constant (kappa) and oxide trapped charges (Q(ot)) extracted from high frequency (1 MHz) C-V curve are 186 pF, 104 pF, 0.37V, 15 and 2 x 10(-11) C, respectively. The small flat band voltage 0.37V, narrow hysteresis and very little frequency dispersion between 10 kHz-1 MHz suggest an excellent a-ZrO2/Si interface with very less trapped charges in the oxide. The films exhibit a low leakage current density 4.7 x 10(-9)A/cm(2) at 1V. In addition, the charge transport mechanism across the MOSC is analyzed and found to have a strong bias dependence. The space charge limited conduction mechanism is dominant in the high electric field region (1.3-5 V) due to the presence of traps, while the trap-supported tunneling is prevailed in the intermediate region (0.35-1.3 V). Low temperature solution processed ZrO2 thin films obtained are of high quality and find their importance as a potential dielectric layer on Si and polymer based flexible electronics. (C) 2016 Published by Elsevier B.V.