Hydrophobic hydration driven self-assembly of curcumin in water: Similarities to nucleation and growth under large metastability, and an analysis of water dynamics at heterogeneous surfaces

As the beneficial effects of curcumin have often been reported to be limited to its small concentrations, we have undertaken a study to find the aggregation properties of curcumin in water by varying the number of monomers. Our molecular dynamics simulation results show that the equilibrated structure is always an aggregated state with remarkable structural rearrangements as we vary the number of curcumin monomers from 4 to 16 monomers. We find that the curcumin monomers form clusters in a very definite pattern where they tend to aggregate both in parallel and anti-parallel orientation of the phenyl rings, often seen in the formation of beta-sheet in proteins. A considerable enhancement in the population of parallel alignments is observed with increasing the system size from 12 to 16 curcumin monomers. Due to the prevalence of such parallel alignment for large system size, a more closely packed cluster is formed with maximum number of hydrophobic contacts. We also follow the pathway of cluster growth, in particular the transition from the initial segregated to the final aggregated state. We find the existence of a metastable structural intermediate involving a number of intermediate-sized clusters dispersed in the solution. We have constructed a free energy landscape of aggregation where the metatsable state has been identified. The course of aggregation bears similarity to nucleation and growth in highly metastable state. The final aggregated form remains stable with the total exclusion of water from its sequestered hydrophobic core. We also investigate water structure near the cluster surface along with their orientation. We find that water molecules form a distorted tetrahedral geometry in the 1st solvation layer of the cluster, interacting rather strongly with the hydrophilic groups at the surface of the curcumin. The dynamics of such quasi-bound water molecules near the surface of curcumin cluster is considerably slower than the bulk signifying a restricted motion as often found in protein hydration layer. (C) 2014 AIP Publishing LLC.

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 and morphology control of a thiophene derivative through electrospraying using various solvents

In the present work, electrospraying of an organic molecule is carried out using various solvents, obtaining fibril structures along with a range of distinct morphologies. Solvent characteristics play a major role in determining the morphology of the organic material. A thiophene derivative (7,9-di(thiophen-2-yl)-8H-cyclopentaa]acenaphthylen-8-one) (DTCPA) of donor-acceptor-donor (DAD) architecture is used to study this solvent effect. Seven solvents with decreasing vapour pressure are selected for experiments. Electrospraying is conducted at a solution concentration of 1.5 wt% and a constant applied voltage of 15 kV. Gradual transformation in morphology of the electrospun product from spiked-spheres to only spikes is observed. A mechanism describing this transformation is proposed based on electron micrograph analysis and XRD analysis. These data indicate that the morphological change is due to the synergistic effect of both vapour pressure and dielectric constant of the solvents. Through a reasonable control of the crystallite size and morphology along with the proposal of the transformation mechanism, this study elucidates electrospraying as a prospective method for designing architectures in organic electronics.

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.

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.

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.

An experimental study on the load carrying capacity of cold-formed steel studs and panels

A full-scale experimental study on the structural performance of load-bearing wall panels made of cold-formed steel frames and boards is presented. Six different types of C-channel stud, a total of 20 panels with one middle stud and 10 panels with two middle studs were tested under vertical compression until failure. For panels, the main variables considered are screw spacing (300 mm, 400 mm, or 600 mm) in the middle stud, board type (oriented strand board - OSB, cement particle board - CPB, or calcium silicate board - CSB), board number (no sheathing, one-side sheathing, or two-side sheathing), and loading type (1, 3, or 4-point loading). The measured load capacity of studs and panels agrees well with analytical prediction. Due to the restraint by rivet connections between stud and track, the effective length factor for the middle stud and the side stud in a frame (unsheathed panel) is reduced to 0.90 and 0.84, respectively. The load carrying capacity of a stud increases significantly whenever one- or two-side sheathing is used, although the latter is significantly more effective. It is also dependent upon the type of board used. Whereas panels with either OSB or CPB boards have nearly identical load carrying capacity, panels with CSB boards are considerably weaker. Screw spacing affects the load carrying capacity of a stud. When the screw spacing on the middle stud in panels with one-side sheathing is reduced from 600 mm to 300 mm, its load carrying capacity increases by 14.5 %, 20.6% and 94.2% for OSB, CPB and CSB, respectively.