Spectroscopic Characterization and Modeling of Quadrupolar Charge-Transfer Dyes with Bulky Substituents

Joint experimental and theoretical work is presented on two quadrupolar D-pi-A-pi-D chromophores characterized by the same bulky donor (D) group and two different central cores. The first chromophore, a newly synthesized species with a malononitrile-based acceptor (A) group, has a V-shaped structure that makes its absorption spectrum very broad, covering most of the visible region. The second chromophore has a squaraine-based core and therefore a linear structure, as also evinced from its absorption spectra. Both chromophores show an anomalous red shift of the absorption band upon increasing solvent polarity, a feature that is ascribed to the large, bulky structure of the moleCules. For these molecules, the basic description of polar solvation in terms of a uniform reaction field fails. Indeed, a simple extension of the model to account for two independent reaction fields associated with the two molecular arms quantitatively reproduces the observed linear absorption and fluorescence as well as fluorescence anisotropy spectra, fully rationalizing their nontrivial dependence on solvent polarity. The model derived from the analysis of linear spectra is adopted to predict nonlinear spectra and specifically hyper-Rayleigh scattering and two-photon absorption spectra. In polar solvents, the V-shaped chromophore is predicted to have a large HRS response in a wide spectral region (approximately 600-1300 nm). Anomalously large and largely solvent-dependent HRS responses for the linear chromophores are ascribed to symmetry lowering induced by polar solvation and amplified in this bulky system by the presence of two reaction fields.

Study of dendrite growth in a rotational flow field

A numerical model to study the growth of dendrites in a pure metal solidification process with an imposed rotational flow field is presented. The micro-scale features of the solidification are modeled by the well-known enthalpy technique. The effect of flow changing the position of the dendrite is captured by the Volume of Fluid (VOF) method. An imposed rigid-body rotational flow is found to gradually transform the dendrite into a globular microstructure. A parametric study is carried out for various angular velocities and the time for merger of dendrite arms is compared with the order estimate obtained from scaling.

Angular momentum transport and evolution of lopsided galaxies

The surface brightness distribution in the majority of stellar galactic discs falls off exponentially. Often what lies beyond such a stellar disc is the neutral hydrogen gas whose distribution also follows a nearly exponential profile at least for a number of nearby disc galaxies. Both the stars and gas are commonly known to host lopsided asymmetry especially in the outer parts of a galaxy. The role of such asymmetry in the dynamical evolution of a galaxy has not been explored so far. Following Lindblad's original idea of kinematic density waves, we show that the outer part of an exponential disc is ideally suitable for hosting lopsided asymmetry. Further, we compute the transport of angular momentum in the combined stars and gas disc embedded in a dark matter halo. We show that in a pure star and gas disc, there is a transition point where the free precession frequency of a lopsided mode, Omega - kappa, changes from retrograde to prograde and this in turn reverses the direction of angular momentum flow in the disc leading to an unphysical behaviour. We show that this problem is overcome in the presence of a dark matter halo, which sets the angular momentum flow outwards as required for disc evolution, provided the lopsidedness is leading in nature. This, plus the well-known angular momentum transport in the inner parts due to spiral arms, can facilitate an inflow of gas from outside perhaps through the cosmic filaments.

Rrp1B gene polymorphism (1307T > C) in metastatic progression of breast cancer

Rrp1B (ribosomal RNA processing1 homolog B) is a novel candidate metastasis modifier gene in breast cancer. Functional gene assays demonstrated that a physical and functional interaction existing between Rrp1b and metastasis modifier gene SIPA1 causes reduction in the tumor growth and metastatic potential. Ectopic expression of Rrp1B modulates various metastasis predictive extra cellular matrix (ECM) genes associated with tumor suppression. The aim of this study is to determine the functional significance of single nucleotide polymorphism (SNP) in human Rrp1B gene (1307 T > C; rs9306160) with breast cancer development and progression. The study consists of 493 breast cancer cases recruited from Nizam's Institute of Medical Sciences, Hyderabad, and 558 age-matched healthy female controls from rural and urban areas. Genomic DNA was isolated by non-enzymatic method. Genotyping was done by amplification refractory mutation system (ARMS-PCR) method. Genotypes were reconfirmed by sequencing and results were analyzed statistically. We have performed Insilco analysis to know the RNA secondary structure by using online tool m fold. The TT genotype and T allele frequencies of Rrp1B1307 T > C polymorphism were significantly elevated in breast cancer (chi (2); p = < 0.008) cases compared to controls under different genetic models. The presence of T allele had conferred 1.75-fold risk for breast cancer development (OR = 1.75; 95 % CI = 1.15-2.67). The frequency of TT genotype of Rrp1b 1307T > C polymorphism was significantly elevated in obese patients (chi (2); p = 0.008) and patients with advanced disease (chi (2); p = 0.01) and with increased tumor size (chi (2); p = 0.01). Moreover, elevated frequency of T allele was also associated with positive lymph node status (chi (2); p = 0.04) and Her2 negative receptor status (chi (2); p = 0.006). Presence of Rrp1b1307TT genotype and T allele confer strong risk for breast cancer development and progression.

Characterization of rice small heat shock proteins targeted to different cellular organelles

Small heat shock proteins (sHSPs) are a family of ATP-independent molecular chaperones which prevent cellular protein aggregation by binding to misfolded proteins. sHSPs form large oligomers that undergo drastic rearrangement/dissociation in order to execute their chaperone activity in protecting substrates from stress. Substrate-binding sites on sHSPs have been predominantly mapped on their intrinsically disordered N-terminal arms. This region is highly variable in sequence and length across species, and has been implicated in both oligomer formation and in mediating chaperone activity. Here, we present our results on the functional and structural characterization of five sHSPs in rice, each differing in their subcellular localisation, viz., cytoplasm, nucleus, chloroplast, mitochondria and peroxisome. We performed activity assays and dynamic light scattering studies to highlight differences in the chaperone activity and quaternary assembly of sHSPs targeted to various organelles. By cloning constructs that differ in the length and sequence of the tag in the N-terminal region, we have probed the sensitivity of sHSP oligomer assembly and chaperone activity to the length and amino acid composition of the N-terminus. In particular, we have shown that the incorporation of an N-terminal tag has significant consequences on sHSP quaternary structure.

Structural studies on tobacco streak virus coat protein: Insights into the pleomorphic nature of ilarviruses

Tobacco streak virus (TSV), the type member of Ilarvirus genus, is a major plant pathogen. TSV purified from infected plants consists of a ss-RNA genome encapsidated in spheroidal particles with diameters of 27, 30 and 33 nm constructed from multiple copies of a single species of coat protein (CP) subunits. Apart from protecting the viral genome, CPs of ilarviruses play several key roles in the life cycle of these viruses. Unlike the related bromo and cucumoviruses, ilarvirus particles are labile and pleomorphic, which has posed difficulties in their crystallization and structure determination. In the current study, a truncated TSV-CP was crystallized in two distinct forms and their structures were determined at resolutions of 2.4 angstrom and 2.1 angstrom, respectively. The core of TSV CP was found to possess the canonical beta-barrel jelly roll tertiary structure observed in several other viruses. Dimers of CP with swapped C-terminal arms (C-arm) were observed in both the crystal forms. The C-arm was found to be flexible and is likely to be responsible for the polymorphic and pleomorphic nature of TSV capsids. Consistent with this observation, mutations in the hinge region of the C-arm that reduce the flexibility resulted in the formation of more uniform particles. TSV CP was found to be structurally similar to that of Alfalfa mosaic virus (AMV) accounting for similar mechanism of genome activation in alfamo and ilar viruses. This communication represents the first report on the structure of the CP from an ilarvirus. (C) 2015 Elsevier Inc. All rights reserved.

Some implications of the volcanic theophany of YHWH on his primeval identity

Abstract: YHWH’s theophany and mode of action are frequently evoked in the Bible as a volcanic event. It is shown here that this representation, of central importance in the story of the Sinai Covenant, is probably not anchored in any specific volcanic eruption experienced by the Israelites in the past. In Antiquity, volcanic activity was specifically associated with the gods who patronized metallurgy, given the homology between lava flowing from a volcano and slag released from a furnace at smelting. Evidence towards such a link is also identified in the Bible. Accordingly, rather than being simply a literary artifice imaging the outstanding powers of YHWH, volcanism may reflect the existence of metallurgical roots in Israelite theology. This contention is supported by Biblical evidences associating YHWH with metal production: (i) his primeval dominion in mining areas, (ii) his special worship by metalworkers, (iii) the representation of his celestial universe as a giant furnace. It is concluded that the volcanic representation of YHWH’s theophany and mode of action reveal a surprising level of preservation of the metallurgic religious traditions in the ancient Israelite theology.

Comparative Study Of The Influence Of Natural Convection On Directional Solidification Of Al-3.5 Wt% Ni And Al-7 Wt% Si Alloys

We present numerical simulations of thermosolutal convection for directional solidification of Al-3.5 wt% Ni and Al-7 wt% Si. Numerical results predict that fragmentation of dendrite arms resulting from dissolution could be favored in Al-7 wt% Si, but not in Al-3.5 wt% Ni. Corresponding experiments are in qualitative agreement with the numerical predictions. Distinguishing the two fragmentation mechanisms, namely dissolution and remelting, is critical during experiments on earth, when fluid flow is dominant. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

The influence of disparate levels of submersed aquatic vegetation on largemouth bass population characteristics in a Georgia reservoir

Population characteristics of largemouth bass (Micropterous salmoides L.) including growth, body condition (relative weight), size structure, survival, and fecundity were examined in relation to abundance of submersed aquatic vegetation (SAV) coverage (primarily hydrilla Hydrilla verticillata L.f. Royle) in three major embayments of Lake Seminole, Georgia. Relative weight, fecundity, and growth of large-mouth bass in the Spring Creek embayment (76% areal SAV coverage) was considerably less than measured in the Chattahoochee and Flint river arms that contained lower SAV coverages (26% and 32%). It took fish 1.8 years longer to reach 406 mm in Spring Creek compared to the Chattahoochee-Flint arms. Consequently, fish were smaller in Spring Creek than in the Chattahoochee-Flint arms. In addition, due to slower growth rates and lower fecundity-to-body weight relation, we predicted a 47% reduction in total potential ova production in Spring Creek compared to the other two reservoir embayments. The annual survival rate of 3 to 10 year old largemouth bass was higher in Spring Creek (84%) than in the Chattahoochee-Flint arms (72%) and suggested either lower harvest and/or lower accessibility of particularly larger fish to angling in dense vegetation. Contrary to our expectaions, the fit between number-at-age and age in a catch-curve regression was weaker for fish collected in Spring Creek and suggested greater recruitment variability has occurred over time in this highly vegetated embayment. In Lake Seminole, spatial differences in largemouth bass population characterstics were associated with disparate levels of SAV. Our data suggest that a reduction in hydrilla, but maintenance of an intermediate level of SAV in Spring Creek, should improve largermouth bass population in this arm of the reservoir.

Development and experimental validation of a mathematical model for friction between fabrics and a volar forearm phantom.

An analytical mathematical model for friction between a fabric strip and the volar forearm has been developed and validated experimentally. The model generalizes the common assumption of a cylindrical arm to any convex prism, and makes predictions for pressure and tension based on Amontons' law. This includes a relationship between the coefficient of static friction (mu) and forces on either end of a fabric strip in contact with part of the surface of the arm and perpendicular to its axis. Coefficients of friction were determined from experiments between arm phantoms of circular and elliptical cross-section (made from Plaster of Paris covered in Neoprene) and a nonwoven fabric. As predicted by the model, all values of mu calculated from experimental results agreed within +/- 8 per cent, and showed very little systematic variation with the deadweight, geometry, or arc of contact used. With an appropriate choice of coordinates the relationship predicted by this model for forces on either end of a fabric strip reduces to the prediction from the common model for circular arms. This helps to explain the surprisingly accurate values of mu obtained by applying the cylindrical model to experimental data on real arms.

Context-dependent partitioning of motor learning in bimanual movements.

Human subjects easily adapt to single dynamic or visuomotor perturbations. In contrast, when two opposing dynamic or visuomotor perturbations are presented sequentially, interference is often observed. We examined the effect of bimanual movement context on interference between opposing perturbations using pairs of contexts, in which the relative direction of movement between the two arms was different across the pair. When each perturbation direction was associated with a different bimanual context, such as movement of the arms in the same direction versus movement in the opposite direction, interference was dramatically reduced. This occurred over a short period of training and was seen for both dynamic and visuomotor perturbations, suggesting a partitioning of motor learning for the different bimanual contexts. Further support for this was found in a series of transfer experiments. Having learned a single dynamic or visuomotor perturbation in one bimanual context, subjects showed incomplete transfer of this learning when the context changed, even though the perturbation remained the same. In addition, we examined a bimanual context in which one arm was moved passively and show that the reduction in interference requires active movement. The sensory consequences of movement are thus insufficient to allow opposing perturbations to be co-represented. Our results suggest different bimanual movement contexts engage at least partially separate representations of dynamics and kinematics in the motor system.

Statistics of natural movements are reflected in motor errors.

Humans use their arms to engage in a wide variety of motor tasks during everyday life. However, little is known about the statistics of these natural arm movements. Studies of the sensory system have shown that the statistics of sensory inputs are key to determining sensory processing. We hypothesized that the statistics of natural everyday movements may, in a similar way, influence motor performance as measured in laboratory-based tasks. We developed a portable motion-tracking system that could be worn by subjects as they went about their daily routine outside of a laboratory setting. We found that the well-documented symmetry bias is reflected in the relative incidence of movements made during everyday tasks. Specifically, symmetric and antisymmetric movements are predominant at low frequencies, whereas only symmetric movements are predominant at high frequencies. Moreover, the statistics of natural movements, that is, their relative incidence, correlated with subjects' performance on a laboratory-based phase-tracking task. These results provide a link between natural movement statistics and motor performance and confirm that the symmetry bias documented in laboratory studies is a natural feature of human movement.

Workspace comparisons of setup configurations for human-robot interaction

In virtual assembly verification or remote maintenance tasks, bimanual haptic interfaces play a crucial role in successful task completion. This paper proposes a method for objectively comparing how well a haptic interface covers the reachable workspace of human arms. Two system configurations are analyzed for a recently introduced haptic device that is based on two DLR-KUKA light weight robots: the standard configuration, where the device is opposite the human operator, and the ergonomic configuration, where the haptic device is mounted behind the human operator. The human operator directly controls the robotic arms using handles. The analysis is performed using a representation of the robot arm workspace. The merits of restricting the comparisons to the most significant regions of the human workspace are discussed. Using this method, a greater workspace correspondence for the ergonomic configuration was shown. ©2010 IEEE.

Plerchis heterorchis N. sp. (Digenea: Acanthocolpidae Luhe, 1909) from fishes Lutjanus johnii and Otolithus argenteus of Karachi coast, Pakistan

A new species of trematodes Pleorchis heterorchis is described from the fishes Lutjanus johnii and Otolithus argenteus of Karachi coast. The new species is characterized by having a lanceolate body with a notch at the middle of the posterior end of the body. Body surface is smooth, ventral sucker rounded, situated at the anterior middle region of the body, pre-pharynx is well developed, widened posteriorly, pharynx muscular, oesophagus short, intestine H-shaped with anterior arms much shorter than the posterior, intestinal bifurcation almost in the middle of fore body, anterior caeca wide and short extending as far as anterior limit of pharynx. Posteriorly caeca reach to posterior end of the body with no lateral out pocketing. Testes 44 in number, intercecal arranged in 2 parallel rows, sub-globular, entire to slightly irregular, almost of same sizes extending immediately from posterior of the ovary to anterior of excretory vesicle. Cirrus pouch overlaps the ventral sucker, extends into hind body, terminating above the ovary, containing bipartite seminal vesicle, pars prostatica and ejaculatory duct. Genital pore behind the intestinal bifurcation and pre-acetabular. Ovary pre-testicular, consists of 16 follicles of varying sizes. Vitellaria lateral, follicular, extending from post bifurcal to posterior extremity. Excretory vesicle reaches to the posterior level of last pair of testes.