Steric and Electronic Interactions Controlling the cis/trans Isomer Equilibrium at X-Pro Tertiary Amide Motifs in Solution

A systematic understanding of the noncovalent interactions that influence the structures of the cis conformers and the equilibrium between the cis and the trans conformers, of the X-Pro tertiary amide motifs, is presented based on analyses of H-1-, C-13-NMR and FTIR absorption spectra of two sets of homologous peptides, X-Pro-Aib-OMe and X-Pro-NH-Me (where X is acetyl, propionyl, isobutyryl and pivaloyl), in solvents of varying polarities. First, this work shows that the cis conformers of any X-Pro tertiary amide motif, including Piv-Pro, are accessible in the new motifs X-Pro-Aib-OMe, in solution. These conformers are uniquely observable by FTIR spectroscopy at ambient temperatures and by NMR spectroscopy from temperatures as high as 273 K. This is made possible by the persistent presence of n(i-1i)* interactions at Aib, which also influence the disappearance of steric effects at these cis X-Pro rotamers. Second, contrary to conventional understanding, the energy contribution of steric effects to the cis/trans equilibrium at the X-Pro motifs is found to be nonvariant (0.54 +/- 0.02 kcal/mol) with increase in steric bulk on the X group. Third, the current studies provide direct evidence for the weak intramolecular interactions namely the n(i-1i)*, the N-Pro center dot center dot center dot Hi+1 (C(5)a), and the C-7 hydrogen bond that operate and influence the structures, stabilities, and dynamics between different conformational states of X-Pro tertiary amide motifs. NMR and IR spectral data suggest that the cis conformers of X-Pro motifs are ensembles of short-lived rotamers about the C-X-N-Pro bond. (c) 2013 Wiley Periodicals, Inc. Biopolymers 101: 66-77, 2014.

Controlling Light Absorption in Charge-Separating Core/Shell Semiconductor Nanocrystals

Semiconductor nanocrystals of different formulations have been extensively studied for use in thin-film photovoltaics. Materials used in such devices need to satisfy the stringent requirement of having large absorption cross sections. Hence, type-II semiconductor nanocrystals that are generally considered to be poor light absorbers have largely been ignored. In this article, we show that type-II semiconductor nanocrystals can be tailored to match the light-absorption abilities of other types of nanostructures as well as bulk semiconductors. We synthesize type-II ZnTe/CdS core/shell nanocrystals. This material is found to exhibit a tunable band gap as well as absorption cross sections that are comparable to (die. This result has significant implications for thin-film photovoltaics, where the use of type-II nanocrystals instead of pure semiconductors can improve charge separation while also providing a much needed handle to regulate device composition.

NEW MASS LIMIT OF WHITE DWARFS

Is the Chandrasekhar mass limit for white dwarfs (WDs) set in stone? Not anymore, recent observations of over-luminous, peculiar type Ia supernovae can be explained if significantly super-Chandrasekhar WDs exist as their progenitors, thus barring them to be used as cosmic distance indicators. However, there is no estimate of a mass limit for these super-Chandrasekhar WD candidates yet. Can they be arbitrarily large? In fact, the answer is no! We arrive at this revelation by exploiting the flux freezing theorem in observed, accreting, magnetized WDs, which brings in Landau quantization of the underlying electron degenerate gas. This essay presents the calculations which pave the way for the ultimate (significantly super-Chandrasekhar) mass limit of WDs, heralding a paradigm shift 80 years after Chandrasekhar's discovery.

FUZZY CONIFOLD Y-F(6) AND MONOPOLES ON S-F(2) x S-F(2)

In this paper, we construct the fuzzy (finite-dimensional) analogs of the conifold Y-6 and its base X-5. We show that fuzzy X-5 is (the analog of) a principal U(1) bundle over fuzzy spheres S-F(2) x S-F(2) and explicitly construct the associated monopole bundles. In particular, our construction provides an explicit discretization of the spaces T-k,T-k and T-k,T-0.

Effect of Inlet Jet injection angle on a calandria based reactor-An investigation with numerical analysis of heat and mass transfer for an optimum reactor design

Heat and mass transfer studies in a calandria based reactor is quite complex both due to geometry and due to the complex mixing flow. It is challenging to devise optimum operating conditions with efficient but safe working range for such a complex configuration. Numerical study known to be very effective is taken up for investigation. In the present study a 3D RANS code with turbulence model has been used to compute the flow fields and to get the heat transfer characteristics to understand certain design parameters of engineering importance. The angle of injection and of the coolant liquid has a large effect on the heat transfer within the reactor.

Active yaw control of a vehicle using a Fuzzy logic algorithm

Yaw rate of a vehicle is highly influenced by the lateral forces generated at the tire contact patch to attain the desired lateral acceleration, and/or by external disturbances resulting from factors such as crosswinds, flat tire or, split-μ braking. The presence of the latter and the insufficiency of the former may lead to undesired yaw motion of a vehicle. This paper proposes a steer-by-wire system based on fuzzy logic as yaw-stability controller for a four-wheeled road vehicle with active front steering. The dynamics governing the yaw behavior of the vehicle has been modeled in MATLAB/Simulink. The fuzzy controller receives the yaw rate error of the vehicle and the steering signal given by the driver as inputs and generates an additional steering angle as output which provides the corrective yaw moment. The results of simulations with various drive input signals show that the yaw stability controller using fuzzy logic proposed in the current study has a good performance in situations involving unexpected yaw motion. The yaw rate errors of a vehicle having the proposed controller are notably smaller than an uncontrolled vehicle's, and the vehicle having the yaw stability controller recovers lateral distance and desired yaw rate more quickly than the uncontrolled vehicle.

Glacial mass balance changes in the Karakoram and Himalaya based on CMIP5 multi-model climate projections

The impact of future climate change on the glaciers in the Karakoram and Himalaya (KH) is investigated using CMIP5 multi-model temperature and precipitation projections, and a relationship between glacial accumulation-area ratio and mass balance developed for the region based on the last 30 to 40 years of observational data. We estimate that the current glacial mass balance (year 2000) for the entire KH region is -6.6 +/- 1 Gta(-1), which decreases about sixfold to -35 +/- 2 Gta(-1) by the 2080s under the high emission scenario of RCP8.5. However, under the low emission scenario of RCP2.6 the glacial mass loss only doubles to -12 +/- 2 Gta(-1) by the 2080s. We also find that 10.6 and 27 % of the glaciers could face `eventual disappearance' by the end of the century under RCP2.6 and RCP8.5 respectively, underscoring the threat to water resources under high emission scenarios.

Revisiting some physics issues related to the new mass limit for magnetized white dwarfs

We clarify important physics issues related to the recently established new mass limit for magnetized white dwarfs which is significantly super-Chandrasekhar. The issues include, justification of high magnetic field and the corresponding formation of stable white dwarfs, contribution of the magnetic field to the total density and pressure, flux freezing, variation of magnetic field and related currents therein. We also attempt to address the observational connection of such highly magnetized white dwarfs.

Skeletal Muscle Degeneration and Regeneration in Mice and Flies

Many aspects of skeletal muscle biology are remarkably similar between mammals and tiny insects, and experimental models of mice and flies (Drosophila) provide powerful tools to understand factors controlling the growth, maintenance, degeneration (atrophy and necrosis), and regeneration of normal and diseased muscles, with potential applications to the human condition. This review compares the limb muscles of mice and the indirect flight muscles of flies, with respect to the mechanisms of adult myofiber formation, homeostasis, atrophy, hypertrophy, and the response to muscle degeneration, with some comment on myogenic precursor cells and common gene regulatory pathways. There is a striking similarity between the species for events related to muscle atrophy and hypertrophy, without contribution of any myoblast fusion. Since the flight muscles of adult flies lack a population of reserve myogenic cells (equivalent to satellite cells), this indicates that such cells are not required for maintenance of normal muscle function. However, since satellite cells are essential in postnatal mammals for myogenesis and regeneration in response to myofiber necrosis, the extent to which such regeneration might be possible in flight muscles of adult flies remains unclear. Common cellular and molecular pathways for both species are outlined related to neuromuscular disorders and to age-related loss of skeletal muscle mass and function (sarcopenia). The commonality of events related to skeletal muscles in these disparate species (with vast differences in size, growth duration, longevity, and muscle activities) emphasizes the combined value and power of these experimental animal models.

A little more gauge mediation and the light Higgs mass

We consider minimal models of gauge mediated supersymmetry breaking with an extra U(1) factor in addition to the Standard Model gauge group. A U(1) charged, Standard Model singlet is assumed to be present which allows for an additional NMSSM like coupling, lambda HuHdS. The U(1) is assumed to be flavour universal. Anomaly cancellation in the MSSM sector requires additional coloured degrees of freedom. The S field can get a large vacuum expectation value along with consistent electroweak symmetry breaking. It is shown that the lightest CP even Higgs boson can attain mass of the order of 125 GeV. (C) 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/3.0/).

Fuzzy Classification of Time Series Data

The problem of classification of time series data is an interesting problem in the field of data mining. Even though several algorithms have been proposed for the problem of time series classification we have developed an innovative algorithm which is computationally fast and accurate in several cases when compared with 1NN classifier. In our method we are calculating the fuzzy membership of each test pattern to be classified to each class. We have experimented with 6 benchmark datasets and compared our method with 1NN classifier.

Regional flood frequency analysis using kernel- based fuzzy clustering approach

Regionalization approaches are widely used in water resources engineering to identify hydrologically homogeneous groups of watersheds that are referred to as regions. Pooled information from sites (depicting watersheds) in a region forms the basis to estimate quantiles associated with hydrological extreme events at ungauged/sparsely gauged sites in the region. Conventional regionalization approaches can be effective when watersheds (data points) corresponding to different regions can be separated using straight lines or linear planes in the space of watershed related attributes. In this paper, a kernel-based Fuzzy c-means (KFCM) clustering approach is presented for use in situations where such linear separation of regions cannot be accomplished. The approach uses kernel-based functions to map the data points from the attribute space to a higher-dimensional space where they can be separated into regions by linear planes. A procedure to determine optimal number of regions with the KFCM approach is suggested. Further, formulations to estimate flood quantiles at ungauged sites with the approach are developed. Effectiveness of the approach is demonstrated through Monte-Carlo simulation experiments and a case study on watersheds in United States. Comparison of results with those based on conventional Fuzzy c-means clustering, Region-of-influence approach and a prior study indicate that KFCM approach outperforms the other approaches in forming regions that are closer to being statistically homogeneous and in estimating flood quantiles at ungauged sites. Key Points Kernel-based regionalization approach is presented for flood frequency analysis Kernel procedure to estimate flood quantiles at ungauged sites is developed A set of fuzzy regions is delineated in Ohio, USA

Controlling Conformations of Diketopyrrolopyrrole-Based Conjugated Polymers: Role of Torsional Angle

Transport of charge carriers through conjugated polymers is strongly influenced by the presence and distribution of structural disorders. In the present work, structural defects caused by the presence of torsional.. angle were investigated in a diketopyrrolopyrrole (DPP)-based conjugated polymer. Two new copolymers of DPP were synthesized with varying torsional angles to trace the role of structural disorder. The optical properties of these copolymers in solution and thin film reveal the strong influence of torsional angle on their photophysical properties. A strong influence was observed on carrier transport properties of polymers in organic field-effect transistors (OFET) device geometry. The polymers based on phenyl DPP with higher torsional angle (PPTDPP-OD-TEG) resulted in high threshold voltage with less charge carrier mobility as compared to the polymer based on thiophene DPP (2DPP-OD-TEG) bearing a lower torsional angle. Carrier mobility and the molecular orientation of the conjugated polymers were correlated on the basis of grazing incidence X-ray scattering measurements showing the strong role of torsional angle introduced in the form of structural disorder. The results presented in this Article provide a deep insight into the sensitivity of structural disorder and its impact on the device performance of DPP-based conjugated polymers.

Germanane: a Low Effective Mass and High Bandgap 2-D Channel Material for Future FETs

We investigate the electronic properties of Germanane and analyze its importance as 2-D channel material in switching devices. Considering two types of morphologies, namely, chair and boat, we study the real band structure, the effective mass variation, and the complex band structure of unstrained Germanane by density-functional theory. The chair morphology turns out to be a more effective channel material for switching devices than the boat morphology. Furthermore, we study the effect of elastic strain, van der Waals force, and vertical electric field on these band structure properties. Due to its very low effective mass with relatively high-energy bandgap, in comparison with the other 2-D materials, Germanane appears to provide superior performance in switching device applications.

Maximum mass of stable magnetized highly super-Chandrasekhar white dwarfs: stable solutions with varying magnetic fields

We address the issue of stability of recently proposed significantly super-Chandrasekhar white dwarfs. We present stable solutions of magnetostatic equilibrium models for super-Chandrasekhar white dwarfs pertaining to various magnetic field profiles. This has been obtained by self-consistently including the effects of the magnetic pressure gradient and total magnetic density in a general relativistic framework. We estimate that the maximum stable mass of magnetized white dwarfs could be more than 3 solar mass. This is very useful to explain peculiar, overluminous type Ia supernovae which do not conform to the traditional Chandrasekhar mass-limit.