Frustrated Lewis pairs: Design and reactivity

The interaction of a Lewis acid with a Lewis base results in the formation of a Lewis acid base adduct. Understanding Lewis acids and bases is central to conceptualizing chemical interactions and constitutes a major portion of metal ligand chemistry. Sterically encumbered/constrained Lewis pairs cannot form acid-base adducts, but such `Frustrated Lewis Pairs' (FLPs), with their unquenched electronic demands can be elegantly used to simultaneously react with a third species, resulting in unusual reactivity of small molecules. Such unusual reactions, explored only in the last few years, have found several applications, e.g., heterolytic splitting of H-2, activation of small molecules (CO2, N2O, etc.). FLPs have opened new opportunities in synthetic chemistry, covering organic, main group as well as transition metal chemistry. The design strategies adopted for FLP systems and their unique reactivity are discussed here.

Design and Testing of a Control System for Supply Side Electrical Load Management

India's energy demand is increasing rapidly with the intensive growth of economy. The electricity demand in India exceeded the availability, both in terms of base load energy and peak availability. The efficient use of energy source and its conversion and utilizations are the viable alternatives available to the utilities or industry. There are essentially two approaches to electrical energy management. First at the supply / utility end (Supply Side Management or SSM) and the other at the consumer end (Demand Side Management or DSM). This work is based on Supply Side Management (SSM) protocol and consists of design, fabrication and testing of a control device that will be able to automatically regulate the power flow to an individual consumer's premise. This control device can monitor the overuse of electricity (above the connected load or contracted demand) by the individual consumers. The present project work specially emphasizes on contract demand of every consumer and tries to reduce the use beyond the contract demand. This control unit design includes both software and hardware work and designed for 0.5 kW contract demand. The device is tested in laboratory and reveals its potential use in the field.

Design of symmetric TIM barrel proteins from first principles

Background: Computational protein design is a rapidly maturing field within structural biology, with the goal of designing proteins with custom structures and functions. Such proteins could find widespread medical and industrial applications. Here, we have adapted algorithms from the Rosetta software suite to design much larger proteins, based on ideal geometric and topological criteria. Furthermore, we have developed techniques to incorporate symmetry into designed structures. For our first design attempt, we targeted the (alpha/beta)(8) TIM barrel scaffold. We gained novel insights into TIM barrel folding mechanisms from studying natural TIM barrel structures, and from analyzing previous TIM barrel design attempts. Methods: Computational protein design and analysis was performed using the Rosetta software suite and custom scripts. Genes encoding all designed proteins were synthesized and cloned on the pET20-b vector. Standard circular dichroism and gel chromatographic experiments were performed to determine protein biophysical characteristics. 1D NMR and 2D HSQC experiments were performed to determine protein structural characteristics. Results: Extensive protein design simulations coupled with ab initio modeling yielded several all-atom models of ideal, 4-fold symmetric TIM barrels. Four such models were experimentally characterized. The best designed structure (Symmetrin-1) contained a polar, histidine-rich pore, forming an extensive hydrogen bonding network. Symmetrin-1 was easily expressed and readily soluble. It showed circular dichroism spectra characteristic of well-folded alpha/beta proteins. Temperature melting experiments revealed cooperative and reversible unfolding, with a T-m of 44 degrees C and a Gibbs free energy of unfolding (Delta G degrees) of 8.0 kJ/mol. Urea denaturing experiments confirmed these observations, revealing a C-m of 1.6 M and a Delta G degrees of 8.3 kJ/mol. Symmetrin-1 adopted a monomeric conformation, with an apparent molecular weight of 32.12 kDa, and displayed well resolved 1D-NMR spectra. However, the HSQC spectrum revealed somewhat molten characteristics. Conclusions: Despite the detection of molten characteristics, the creation of a soluble, cooperatively folding protein represents an advancement over previous attempts at TIM barrel design. Strategies to further improve Symmetrin-1 are elaborated. Our techniques may be used to create other large, internally symmetric proteins.

Design and Evaluation of Torsional Probes for Multifrequency Atomic Force Microscopy

Multifrequency atomic force microscopy is a powerful nanoscale imaging and characterization technique that involves excitation of the atomic force microscope (AFM) probe and measurement of its response at multiple frequencies. This paper reports the design, fabrication, and evaluation of AFM probes with a specified set of torsional eigen-frequencies that facilitate enhancement of sensitivity in multifrequency AFM. A general approach is proposed to design the probes, which includes the design of their generic geometry, adoption of a simple lumped-parameter model, guidelines for determination of the initial dimensions, and an iterative scheme to obtain a probe with the specified eigen-frequencies. The proposed approach is employed to design a harmonic probe wherein the second and the third eigen-frequencies are the corresponding harmonics of the first eigen-frequency. The probe is subsequently fabricated and evaluated. The experimentally evaluated eigen-frequencies and associated mode shapes are shown to closely match the theoretical results. Finally, a simulation study is performed to demonstrate significant improvements in sensitivity to the second-and the third-harmonic spectral components of the tip-sample interaction force with the harmonic probe compared to that of a conventional probe.

Design and administration of activity-travel diaries: a case study from Bengaluru city in India

Studies on travel survey instrument design and administration in the context of Indian cities are limited despite the fact that these aspects of travel survey face unique challenges here when compared to the cities in the developed world. Here we report results of a pilot survey conducted for evaluating the performances, alternative diary formats and survey administration techniques in Bengaluru city, India. The study proposes two diary formats. `Diary-1' is in day-planner format and is a variant of the one reported earlier in the literature. `Diary-2' is derived as a combination of `Diary-1' and the trip-based diaries widely applied in Indian cities. `Face-to-face', and `drop-off and pick-up' methods of survey administration are considered for retrieving the activity-travel information of individuals. Evidence appears to be strong that diary-2 is preferable to diary-1 for collecting the travel details of individuals. The comparison of the retrieval methods suggests that the face-to-face method of instrument administration is superior to the drop-off and pick-up method in terms of higher response rates and minimum recording errors.

On the Equivalence of Acoustic Impedance and Squeeze Film Impedance in Micromechanical Resonators

In this work, we address the issue of modeling squeeze film damping in nontrivial geometries that are not amenable to analytical solutions. The design and analysis of microelectromechanical systems (MEMS) resonators, especially those that use platelike two-dimensional structures, require structural dynamic response over the entire range of frequencies of interest. This response calculation typically involves the analysis of squeeze film effects and acoustic radiation losses. The acoustic analysis of vibrating plates is a very well understood problem that is routinely carried out using the equivalent electrical circuits that employ lumped parameters (LP) for acoustic impedance. Here, we present a method to use the same circuit with the same elements to account for the squeeze film effects as well by establishing an equivalence between the parameters of the two domains through a rescaled equivalent relationship between the acoustic impedance and the squeeze film impedance. Our analysis is based on a simple observation that the squeeze film impedance rescaled by a factor of jx, where x is the frequency of oscillation, qualitatively mimics the acoustic impedance over a large frequency range. We present a method to curvefit the numerically simulated stiffness and damping coefficients which are obtained using finite element analysis (FEA) analysis. A significant advantage of the proposed method is that it is applicable to any trivial/nontrivial geometry. It requires very limited finite element method (FEM) runs within the frequency range of interest, hence reducing the computational cost, yet modeling the behavior in the entire range accurately. We demonstrate the method using one trivial and one nontrivial geometry.

Design and implementation of spectrum sensing for cognitive radios with a frequency-hopping primary system

In this work, spectrum sensing for cognitive radios is considered in the presence of multiple Primary Users (PU) using frequency-hopping communication over a set of frequency bands. The detection performance of the Fast Fourier Transform (FFT) Average Ratio (FAR) algorithm is obtained in closed-form, for a given FFT size and number of PUs. The effective throughput of the Secondary Users (SU) is formulated as an optimization problem with a constraint on the maximum allowable interference on the primary network. Given the hopping period of the PUs, the sensing duration that maximizes the SU throughput is derived. The results are validated using Monte Carlo simulations. Further, an implementation of the FAR algorithm on the Lyrtech (now, Nutaq) small form factor software defined radio development platform is presented, and the performance recorded through the hardware is observed to corroborate well with that obtained through simulations, allowing for implementation losses. (C) 2015 Elsevier B.V. All rights reserved.

Design and Validation of On-chip Planar Mixer Based on Advection and Viscoelastic Effects

Mixing at low Reynolds number is usually due to diffusion and requires longer channel lengths for complete mixing. In order to reduce the mixing lengths, advective flow can be induced by varying the channel geometry. Additionally, in non-newtonian fluids, appropriate modifications to channel geometry can be used to aid the mixing process by capitalizing on their viscoelastic nature. Here we have exploited the advection and viscoelastic effects to implement a planar passive micro-mixer. Microfluidic devices incorporating different blend of mixing geometries were conceived. The optimum design was chosen based on the results of the numerical simulations performed in COMSOL. The chosen design had sudden expansion and contraction along with teeth patterns along the channel walls to improve mixing. Mixing of two different dyes was performed to validate the mixing efficiency. Particle dispersion experiments were also carried out. The results indicated effective mixing. In addition, the same design was also found to be compatible with electrical power free pumping mechanism like suction. The proposed design was then used to carry out on-chip chemical cell lysis with human whole blood samples to establish its use with non-newtonian fluids. Complete lysis of the erythrocytes was observed leaving behind the white blood cells at the outlet.

Modelling and analysis of an open-loop induction motor drive incorporating the effect of inverter dead-time

The objective of this paper is to study the influence of inverter dead-time on steady as well as dynamic operation of an open-loop induction motor drive fed from a voltage source inverter (VSI). Towards this goal, this paper presents a systematic derivation of a dynamic model for an inverter-fed induction motor, incorporating the effect of inverter dead-time, in the synchronously revolving dq reference frame. Simulation results based on this dynamic model bring out the impact of inverter dead-time on both the transient response and steady-state operation of the motor drive. For the purpose of steady-state analysis, the dynamic model of the motor drive is used to derive a steady-state model, which is found to be non-linear. The steady-state model shows that the impact of dead-time can be seen as an additional resistance in the stator circuit, whose value depends on the stator current. Towards precise evaluation of this dead-time equivalent resistance, an analytical expression is proposed for the same in terms of inverter dead-time, switching frequency, modulation index and load impedance. The notion of dead-time equivalent resistance is shown to simplify the solution of the non-linear steady-state model. The analytically evaluated steady-state solutions are validated through numerical simulations and experiments.

Design and coupled-effect simulations of CMOS micro gas-sensors built on SOI thin membranes

This paper describes coupled-effect simulations of smart micro gas-sensors based on standard BiCMOS technology. The smart sensor features very low power consumption, high sensitivity and potential low fabrication cost achieved through full CMOS integration. For the first time the micro heaters are made of active CMOS elements (i.e. MOSFET transistors) and embedded in a thin SOI membrane consisting of Si and SiO2 thin layers. Micro gas-sensors such as chemoresistive, microcalorimeteric and Pd/polymer gate FET sensors can be made using this technology. Full numerical analyses including 3D electro-thermo-mechanical simulations, in particular stress and deflection studies on the SOI membranes are presented. The transducer circuit design and the post-CMOS fabrication process, which includes single sided back-etching, are also reported.

Design and simulations of SOI CMOS micro-hotplate gas sensors

This paper describes a new generation of integrated solid-state gas-sensors embedded in SOI micro-hotplates. The micro-hotplates lie on a SOI membrane and consist of MOSFET heaters that elevate the operating temperature, through self-heating, of a gas sensitive material. These sensors are fully compatible with SOI CMOS or BiCMOS technologies, offer ultra-low power consumption (under 100 mW), high sensitivity, low noise, low unit cost, reproducibility and reliability through the use of on-chip integration. In addition, the new integrated sensors offer a nearly uniform temperature distribution over the active area at its operating temperatures at up to about 300-350°C. This makes SOI-based gas-sensing devices particularly attractive for use in handheld battery-operated gas monitors. This paper reports on the design of a chemo-resistive gas sensor and proposes for the first time an intelligent SOI membrane microcalorimeter using active micro-FET heaters and temperature sensors. A comprehensive set of numerical and analogue simulations is also presented including complex 2D and 3D electro-thermal numerical analyses. © 2001 Elsevier Science B.V. All rights reserved.