Atomistic insights into solvation dynamics and conformational transformation in thermo-sensitive and non-thermo-sensitive oligomers

Solvation dynamics and conformational transformation in oligomers with varying degree of temperature sensitivity is studied using molecular dynamics (MD) simulations. Conformational transformation in three model systems namely poly(N-isopropylacrylamide) (PNIPAM), poly(acrylamide) (PAA), and poly(ethylene glycol) (PEG) are compared and contrasted to understand the origin of a coil-to-globule transformations across the lower critical solution temperature (LCST) in thermo-sensitive oligomers. PNIPAM, PAA, and PEG are water-soluble oligomers. However, for the temperature range used in these simulations, PNIPAM shows an LCST whereas PAA and PEG are non-thermo-sensitive. Oligomers of PNIPAM, PAA, and PEG consisting of 30 monomer units (30-mer) each were simulated at 5 °C (278 K) and 37 °C (310 K). Conformational transformations in the oligomers are evaluated using structural and dynamical correlation functions such as radius of gyration, radial distribution function, residence time probabilities and hydrogen-bonding life-times. Our simulations suggest that the solubility, solvation dynamics, and conformation of the oligomers are dictated by two factors: (a) the local structure of proximal water and (b) the diffusion and exchange kinetics of proximal water with bulk water. In thermo-sensitive oligomer such as PNIPAM, we find that the coil-to-globule transition is closely related to the local ordering and solvation dynamics of PNIPAM. We have identified stable configurations of proximal water molecules for an oligomer undergoing conformational transition. The slow diffusional properties of proximal water molecules near PNIPAM oligomers suggests that water forms a stable network near hydrophilic groups of PNIPAM as compared to the hydrophilic groups of PAA and PEG. Thermal perturbation of this solvated structure results in significant reduction in local ordering of water, which contributes to the globular collapse and the reduced solubility of PNIPAM above its LCST. On the other hand, non-thermo-sensitive oligomers such as PAA and PEG are characterized by much faster diffusion and exchange kinetics of proximal water at the two simulated temperatures compared to PNIPAM. This faster exchange kinetics helps in maintaining higher hydration level of the oligomers and is responsible for the apparent hydrophilic character and thereby the observed solubility at the two simulated temperatures.     

Machinability study of high speed steel for focused ion beam (FIB) milling process – An experimental investigation at micron/nano scale

Nowadays the attention is focused on machining of non-silicon materials for miniaturized devices. High speed steel (HSS) is a non-silicon tool material, which is used in metal cutting applications as well as in micro-medical applications. Focused ion beam (FIB) milling process is highly suited for the fabrication of micro tools and other micro devices manufactured from HSS material. This study investigates the machinability aspects of HSS for FIB milling process. Beam current, extraction voltage, angle of incidence, dwell time and percentage overlap between beam diameters are the FIB process parameters, which have been analyzed experimentally to optimize FIB milling process for maximum material removal rate and minimum surface roughness. Beam current is found as the most significant parameter for controlling the material removal rate and surface roughness.     

Sense understanding of text conversation using temporal convolution neural network

Multimedia Tools and Applications - This paper proposes a model which uses Spatio Temporal features for real-time sense understanding of a text conversation. The proposed model uses CNN along with...     

Transmit Antenna Selection with Optimum Combining for Aggregate Interference in Cognitive Underlay Radio Network

Transmit antenna selection (TAS) is most popular technique in underlay cognitive radio (CR) networks as they increase the capacity of secondary users with less hardware requirements. In this paper, a new scenario of CR ad-hoc network topology is proposed in which apart from primary users, there are multiple number of secondary users which are assumed to be distributed as homogeneous spatial Poisson point process (PPP) and are trying to use the primary spectrum in underlay mode. These multiple secondary transmitters generate the aggregate interference and can degrade the performance of secondary receiver. Here this aggregate interference is estimated and its impact on performance of secondary receiver under unconstrained mode of operation is presented. Further, to enhance the performance of secondary receivers in this scenario, single TAS technique based on maximizing the received signal to interference noise ratio by using optimum combining (OC) method is proposed. Furthermore, in this work the design of end to end Simulink based environment for secondary trans–receiver system with advancements in channel design and estimation is proposed. The bit error rate (BER) analysis is presented and verified for image data for single TAS-OC technique for unconstrained mode in underlay CR network in Rician fading channel. The BER performance is also presented for different number of secondary interference sources which are located at fixed distance in one case and they are assumed to be distributed as PPP in another case.     

Application of functionalized coir fibre as eco-friendly oil sorbent

Synthetic polymers are based on the use of crude oil as their raw material. Oil spillage takes place during production, storage, transportation and usage at the water bodies and land surfaces. This may be due to tanker disasters, wars, operation failures, equipment breaking down, accidents and natural disasters. The spilled oil into land, river or ocean imposes a major threat to the environment and endangers the aquatic life. To overcome this problem, oil sorbents are commonly used for cleaning the oil spills. In this paper, coir fibre which was obtained as a waste from coconut fruit was functionalized to increase its hydrophobicity and oil sorption capacity. The product so formed was characterized by FT-IR, TGA and SEM which confirmed grafting of butyl acrylate monomer onto the coir fibres. The effects of time, temperature and monomer concentration on the grafting of coir fibre and oil absorption capacity have also been investigated. Results demonstrated that the modified coir fibre absorbed fair amount of crude oil and studies also indicate that a simple squeezing was sufficient to remove most of the oil sorbed by the fibres so that the sorbents can be reused several times for oil spill clean-up.     

Analysing consequence of solar irradiance on amorphous silicon solar cell in variable underwater environments

Harvesting underwater Solar energy using photovoltaic (PV) technology leads to an innovative approach to utilize it in monitoring various underwater sensors, devices, or other autonomous systems using modern-day power electronics. Another huge advantage of placing PV cells underwater comes from the fact that the water itself can provide cooling and cleaning for the cells. Such advantages come with many challenges and constraints due to the underwater spectral change and decrease in Solar radiation with an increase in water depth. In this work, an experimental set-up has been realized to create an underwater environment and further characterized in the indoor environment using the Solar simulator. Moreover, the transfer of Solar radiation through water and the performance of amorphous silicon Solar cell underwater up to 0.2 m has been analysed in changing underwater environments. This investigation shows a better understanding of solar radiation underwater and the amorphous silicon solar cell underwater at shallow depths with considering the water depth up to 0.2 m, salinity 3.5%, total dissolved salts, and other impurities affecting the solar radiation and the performance of amorphous silicon Solar cell in underwater conditions. In addition to that, the maximum power output P_max of amorphous silicon Solar cell is 0.0367 W at 0.2 m in the case of DI water. In contrast, in real seawater and artificial seawater with 3.5% salinity, it shows 0.0337 W and 0.0327 W, respectively.     

Performance optimization of microfluidic paper fuel-cell with varying cellulose fiber papers as absorbent pad

Miniaturization of devices, combined with other features such as portability, proneness to automation, rapid performance, amenability to integration, multiplexing, and cost-effectiveness, is rapidly increasing for various sensing and energy harvesting applications. One such emerging area is the development of microfluidic fuel cell on cellulose papers, which has enormous scope to optimize its performance. This is primarily because such devices eliminate the need for membranes as well as external pumps since they have built-in colaminar flow embedded capillaries. Such peripherals are usually used in conventional microfluidic fuel cells, which are fabricated using methods like photolithography, PDMS lithography, and 3D printing. This paper presents investigations on microfluidic paper–based fuel cells (MPFCs) with different cellulose absorbent pads for their performance optimization. Herein, the MPFC utilizes formic acid as fuel, oxygen from quiescent air as oxidant, and sulfuric acid as electrolyte for conducting ionic exchange under colaminar flow. The electrodes are realized through simple pencil strokes depositing a thin layer of graphite. The porous graphite electrodes act as diffusion agents breathing oxygen directly from the atmospheric air. Such an MPFC configuration, costing less than US $1, was optimized to achieve maximum energy density by examining various combinations of absorbent pads with different grades of cellulose papers. It is seen that the maximum open circuit potential is 0.46 V, while the maximum current and power densities are 1505.66 μAcm⁻² and 173.97 μWcm⁻², respectively, with a grade 6 absorbent pad. Such performance can be further enhanced by investigating MPFCs with various graphite pencils with a diverse number of strokes at different concentration levels.     

Highly flame‐retardant bio‐based polyurethanes using novel reactive polyols

Poor flame retardancy of polyurethanes (PU) is a global issue as it limits their applications particularly in construction, automobile, and household appliances industries. The global challenge of high flammability of PU can be addressed by incorporating flame‐retardant materials. However, additive flame‐retardants are non‐compatible and depreciate the properties of PU. Hence, reactive flame‐retardants (RFR) based on aliphatic (Ali‐1 and Ali‐2) and aromatic (Ar‐1 and Ar‐2) structured bromine compounds were synthesized and used to prepare bio‐based PU using limonene dimercaptan. The aromatic bromine containing foams showed higher close cell content (average 97 and 100%) and compressive strength (230 and 325 kPa) to that of aliphatic bromine containing foams. Similar behavior was observed for a horizontal burning test where with a low concentration of bromine (5 wt %) in the foams for Ar‐1 and Ar‐2 displayed a burning time of 12.5 and 11.8 s while, Ali‐1 and Ali‐2 displayed burning time of 25.7 and 37 s, respectively. Neat foam showed a burning time of 74 s. The percentage weight loss for neat PU foam was 26.5%, while foams containing 5 wt % bromine in Ali‐1, Ali‐2, Ar‐1, and Ar‐2 foams displayed weight loss of 11.3, 14, 7.9, and 14%, respectively. Our results suggest that flame retardant PU foams could be prepared effectively by using RFR materials. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46027.     

Extraordinary Macroscale Wear Resistance of One Atom Thick Graphene Layer

During the last few years, graphene's unusual friction and wear properties have been demonstrated at nano to micro scales but its industrial tribological potential has not been fully realized. The macroscopic wear resistance of one atom thick graphene coating is reported by subjecting it to pin‐on‐disc type wear testing against most commonly used steel against steel tribo‐pair. It is shown that when tested in hydrogen, a single layer of graphene on steel can last for 6400 sliding cycles, while few‐layer graphene (3–4 layers) lasts for 47 000 cycles. Furthermore, these graphene layers are shown to completely cease wear despite the severe sliding conditions including high contact pressures (≈0.5 GPa) observed typically in macroscale wear tests. The computational simulations show that the extraordinary wear performance originates from hydrogen passivation of the dangling bonds in a ruptured graphene, leading to significant stability and longer lifetime of the graphene protection layer. Also, the electronic properties of these graphene sheets are theoretically evaluated and the improved wear resistance is demonstrated to preserve the electronic properties of graphene and to have significant potential for flexible electronics. The findings demonstrate that tuning the atomistic scale chemical interactions holds the promise of realizing extraordinary tribological properties of monolayer graphene coatings.