Common recognition principles across diverse sequence and structural families of sialic acid binding proteins

Sialic acids form a large family of 9-carbon monosaccharides and are integral components of glycoconjugates. They are known to bind to a wide range of receptors belonging to diverse sequence families and fold classes and are key mediators in a plethora of cellular processes. Thus, it is of great interest to understand the features that give rise to such a recognition capability. Structural analyses using a non-redundant data set of known sialic acid binding proteins was carried out, which included exhaustive binding site comparisons and site alignments using in-house algorithms, followed by clustering and tree computation, which has led to derivation of sialic acid recognition principles. Although the proteins in the data set belong to several sequence and structure families, their binding sites could be grouped into only six types. Structural comparison of the binding sites indicates that all sites contain one or more different combinations of key structural features over a common scaffold. The six binding site types thus serve as structural motifs for recognizing sialic acid. Scanning the motifs against a non-redundant set of binding sites from PDB indicated the motifs to be specific for sialic acid recognition. Knowledge of determinants obtained from this study will be useful for detecting function in unknown proteins. As an example analysis, a genome-wide scan for the motifs in structures of Mycobacterium tuberculosis proteome identified 17 hits that contain combinations of the features, suggesting a possible function of sialic acid binding by these proteins.

Spatial variation of seismicity parameters across India and adjoining areas

An attempt has been made to quantify the variability in the seismic activity rate across the whole of India and adjoining areas (0–45°N and 60–105°E) using earthquake database compiled from various sources. Both historical and instrumental data were compiled and the complete catalog of Indian earthquakes till 2010 has been prepared. Region-specific earthquake magnitude scaling relations correlating different magnitude scales were achieved to develop a homogenous earthquake catalog for the region in unified moment magnitude scale. The dependent events (75.3%) in the raw catalog have been removed and the effect of aftershocks on the variation of b value has been quantified. The study area was divided into 2,025 grid points (1°91°) and the spatial variation of the seismicity across the region have been analyzed considering all the events within 300 km radius from each grid point. A significant decrease in seismic b value was seen when declustered catalog was used which illustrates that a larger proportion of dependent events in the earthquake catalog are related to lower magnitude events. A list of 203,448 earth- quakes (including aftershocks and foreshocks) occurred in the region covering the period from 250 B.C. to 2010 A.D. with all available details is uploaded in the website http://www.civil.iisc.ernet.in/*sreevals/resource.htm.

Memory-induced anomalous dynamics in a minimal random walk model

A discrete-time dynamics of a non-Markovian random walker is analyzed using a minimal model where memory of the past drives the present dynamics. In recent work N. Kumar et al., Phys. Rev. E 82, 021101 (2010)] we proposed a model that exhibits asymptotic superdiffusion, normal diffusion, and subdiffusion with the sweep of a single parameter. Here we propose an even simpler model, with minimal options for the walker: either move forward or stay at rest. We show that this model can also give rise to diffusive, subdiffusive, and superdiffusive dynamics at long times as a single parameter is varied. We show that in order to have subdiffusive dynamics, the memory of the rest states must be perfectly correlated with the present dynamics. We show explicitly that if this condition is not satisfied in a unidirectional walk, the dynamics is only either diffusive or superdiffusive (but not subdiffusive) at long times.

A phylogeny of the only ground-dwelling radiation of Cyrtodactylus (Squamata, Gekkonidae): diversification of Geckoella across peninsular India and Sri Lanka

The subgenus Geckoella, the only ground-dwelling radiation within Cyrtodactylus, closely overlaps in distribution with brookii group Hemidactylus in peninsular India and Sri Lanka. Both groups have Oligocene origins, the latter with over thrice as many described species. The striking difference in species richness led us to believe that Geckoella diversity is underestimated, and we sampled for Geckoella across peninsular India. A multi-locus phylogeny reveals Geckoella diversity is hugely underestimated, with at least seven undescribed species, doubling previously known richness. Strikingly, the new species correspond to cryptic lineages within described Indian species (complexes); a number of these endemic lineages from the hills of peninsular India outside the Western Ghats, highlighting the undocumented diversity of the Indian dry zone. The Geckoella phylogeny demonstrates deep splits between the Indian species and Sri Lankan G. triedrus, and between Indian dry and wet zone clades, dating back to the late Oligocene. Geckoella and brookii group Hemidactylus show contrasting diversification patterns. Geckoella shows signals of niche conservatism and appears to have retained its ancestral forest habitat. The late Miocene burst in speciation in Geckoella may be linked to the expansion of rain forests during the mid-Miocene climatic optimum and subsequent fragmentation with increasing late Miocene aridification. (C) 2014 Elsevier Inc. All rights reserved.

From Workstations to Workbenches: Towards Predicting Physicochemically Viable Protein-Protein Interactions Across a Host and a Pathogen

The understanding of protein-protein interactions is indispensable in comprehending most of the biological processes in a cell. Small-scale experiments as well as large-scale high-throughput techniques over the past few decades have facilitated identification and analysis of protein-protein interactions which form the basis of much of our knowledge on functional and regulatory aspects of proteins. However, such rich catalog of interaction data should be used with caution when establishing protein-protein interactions in silico, as the high-throughput datasets are prone to false positives. Numerous computational means developed to pursue genome-wide studies on protein-protein interactions at times overlook the mechanistic and molecular details, thus questioning the reliability of predicted protein-protein interactions. We review the development, advantages, and shortcomings of varied approaches and demonstrate that by providing a structural viewpoint in terms of shape complementarity and interaction energies at protein-protein interfaces coupled with information on expression and localization of proteins homologous to an interacting pair, it is possible to assess the credibility of predicted interactions in biological context. With a focus on human pathogen Mycobacterium tuberculosis H37Rv, we show that such scrupulous use of details at the molecular level can predict physicochemically viable protein-protein interactions across host and pathogen. Such predicted interactions have the potential to provide molecular basis of probable mechanisms of pathogenesis and hence open up ways to explore their usefulness as targets in the light of drug discovery. (c) 2014 IUBMB Life, 66(11):759-774, 2014

Sun skink diversification across the Indian-Southeast Asian biogeographical interface

Aim Widespread, transcontinental vertebrate groups represent ideal systems for biogeographical studies, because they can shed light on a wide range of questions relating to species diversification across the geographical template. We combined extensive geographical and genetic sampling from across multiple biogeographical realms to examine the timing and location of diversification in Asian sun skinks, a clade characterized by problematic species boundaries and a particularly enigmatic evolutionary history. Location Indian subcontinent, the Philippines, Southeast Asia and Sundaland. Methods We sequenced one mitochondrial and nine nuclear genes for most species in the genus Eutropis, and estimated phylogenetic relationships and divergence times using coalescent methods. To investigate the location of diversification events, we also estimated ancestral geographical ranges using several methods. Finally, we explored patterns of genetic diversity within several poorly understood, but widely distributed species. Results Divergence-time estimates indicate that Eutropis began to diversify during the Eocene. Biogeographical reconstructions show that species diversification was associated with dispersal into three biogeographical realms: India, Sundaland and the Philippines. Main conclusions The results of this study clarify several questions related to the evolutionary history of Eutropis, and place them in the context of classic Southeast Asian biogeography. Our study represents one of the first to compile a heavily sampled multilocus dataset ranging across international boundaries in southern Asia that have historically prevented a unified understanding of biogeographical and evolutionary processes involving the Indian subcontinent, mainland southern Asia and the island archipelagos of Southeast Asia.

An island called India: phylogenetic patterns across multiple taxonomic groups reveal endemic radiations

Island systems from around the world have provided fascinating opportunities for studies pertaining to various evolutionary processes. One recurring feature of isolated islands is the presence of endemic radiations. In this regard, the Indian subcontinent is an interesting entity given it has been an island during much of its history following separation from Madagascar and currently is isolated from much of Eurasia by the Himalayas in the north and the Indian Ocean in the south. Not surprisingly, recent molecular studies on a number of endemic taxa from India have reported endemic radiations. These studies suggest that the uniqueness of Indian biota is not just due to its diverse origin, but also due to evolution in isolation. The isolation of India has generated some peculiarities typically seen on oceanic islands. However, these patterns might be confined to, groups with low dispersal ability.

Majorana modes and transport across junctions of superconductors and normal metals

We study Majorana modes and transport in one-dimensional systems with a p-wave superconductor (SC) and normal metal leads. For a system with an SC lying between two leads, it is known that there is a Majorana mode at the junction between the SC and each lead. If the p-wave pairing Delta changes sign or if a strong impurity is present at some point inside the SC, two additional Majorana modes appear near that point. We study the effect of all these modes on the sub-gap conductance between the leads and the SC. We derive an analytical expression as a function of Delta and the length L of the SC for the energy shifts of the Majorana modes at the junctions due to hybridization between them; the shifts oscillate and decay exponentially as L is increased. The energy shifts exactly match the location of the peaks in the conductance. Using bosonization and the renormalization group method, we study the effect of interactions between the electrons on Delta and the strengths of an impurity inside the SC or the barriers between the SC and the leads; this in turn affects the Majorana modes and the conductance. Finally, we propose a novel experimental realization of these systems, in particular of a system where Delta changes sign at one point inside the SC.

Electronic Structure Evolution across the Peierls Metal-Insulator Transition in a Correlated Ferromagnet

Transition metal compounds often undergo spin-charge-orbital ordering due to strong electron-electron correlations. In contrast, low-dimensional materials can exhibit a Peierls transition arising from low-energy electron-phonon-coupling-induced structural instabilities. We study the electronic structure of the tunnel framework compound K2Cr8O16, which exhibits a temperature-dependent (T-dependent) paramagnetic-to-ferromagnetic- metal transition at T-C = 180 K and transforms into a ferromagnetic insulator below T-MI = 95 K. We observe clear T-dependent dynamic valence (charge) fluctuations from above T-C to T-MI, which effectively get pinned to an average nominal valence of Cr+3.75 (Cr4+:Cr3+ states in a 3:1 ratio) in the ferromagnetic-insulating phase. High-resolution laser photoemission shows a T-dependent BCS-type energy gap, with 2G(0) similar to 3.5(k(B)T(MI)) similar to 35 meV. First-principles band-structure calculations, using the experimentally estimated on-site Coulomb energy of U similar to 4 eV, establish the necessity of strong correlations and finite structural distortions for driving the metal-insulator transition. In spite of the strong correlations, the nonintegral occupancy (2.25 d-electrons/Cr) and the half-metallic ferromagnetism in the t(2g) up-spin band favor a low-energy Peierls metal-insulator transition.

Low Resolution Face Recognition Across Variations in Pose and Illumination

We propose a completely automatic approach for recognizing low resolution face images captured in uncontrolled environment. The approach uses multidimensional scaling to learn a common transformation matrix for the entire face which simultaneously transforms the facial features of the low resolution and the high resolution training images such that the distance between them approximates the distance had both the images been captured under the same controlled imaging conditions. Stereo matching cost is used to obtain the similarity of two images in the transformed space. Though this gives very good recognition performance, the time taken for computing the stereo matching cost is significant. To overcome this limitation, we propose a reference-based approach in which each face image is represented by its stereo matching cost from a few reference images. Experimental evaluation on the real world challenging databases and comparison with the state-of-the-art super-resolution, classifier based and cross modal synthesis techniques show the effectiveness of the proposed algorithm.