Protein Structure and Function: Looking through the Network of Side-Chain Interactions

Network theory has become an excellent method of choice through which biological data are smoothly integrated to gain insights into complex biological problems. Understanding protein structure, folding, and function has been an important problem, which is being extensively investigated by the network approach. Since the sequence uniquely determines the structure, this review focuses on the networks of non-covalently connected amino acid side chains in proteins. Questions in structural biology are addressed within the framework of such a formalism. While general applications are mentioned in this review, challenging problems which have demanded the attention of scientific community for a long time, such as allostery and protein folding, are considered in greater detail. Our aim has been to explore these important problems through the eyes of networks. Various methods of constructing protein structure networks (PSN) are consolidated. They include the methods based on geometry, edges weighted by different schemes, and also bipartite network of protein-nucleic acid complexes. A number of network metrics that elegantly capture the general features as well as specific features related to phenomena, such as allostery and protein model validation, are described. Additionally, an integration of network theory with ensembles of equilibrium structures of a single protein or that of a large number of structures from the data bank has been presented to perceive complex phenomena from network perspective. Finally, we discuss briefly the capabilities, limitations, and the scope for further explorations of protein structure networks.

Probabilistic Models for Forecasting Earthquakes in the Northeast Region of India

Northeast India and its adjoining areas are characterized by very high seismic activity. According to the Indian seismic code, the region falls under seismic zone V, which represents the highest seismic-hazard level in the country. This region has experienced a number of great earthquakes, such as the Assam (1950) and Shillong (1897) earthquakes, that caused huge devastation in the entire northeast and adjacent areas by flooding, landslides, liquefaction, and damage to roads and buildings. In this study, an attempt has been made to find the probability of occurrence of a major earthquake (M-w > 6) in this region using an updated earthquake catalog collected from different sources. Thereafter, dividing the catalog into six different seismic regions based on different tectonic features and seismogenic factors, the probability of occurrences was estimated using three models: the lognormal, Weibull, and gamma distributions. We calculated the logarithmic probability of the likelihood function (ln L) for all six regions and the entire northeast for all three stochastic models. A higher value of ln L suggests a better model, and a lower value shows a worse model. The results show different model suits for different seismic zones, but the majority follows lognormal, which is better for forecasting magnitude size. According to the results, Weibull shows the highest conditional probabilities among the three models for small as well as large elapsed time T and time intervals t, whereas the lognormal model shows the lowest and the gamma model shows intermediate probabilities. Only for elapsed time T = 0, the lognormal model shows the highest conditional probabilities among the three models at a smaller time interval (t = 3-15 yrs). The opposite result is observed at larger time intervals (t = 15-25 yrs), which show the highest probabilities for the Weibull model. However, based on this study, the IndoBurma Range and Eastern Himalaya show a high probability of occurrence in the 5 yr period 2012-2017 with >90% probability.

Magnetic properties of nanocrystalline Mn1-xZnxFe2O4

Nanocrystalline Mn1-xZnxFe2O4 (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0) were prepared via solution combustion method. Structural and morphology of Mn-Zn ferrites were characterized by X-ray diffraction (XRD) and Transmission Electron Microscopy (TEM). Magnetic properties were carried out using vibrating sample magnetometer (VSM) at room temperature (RT) up to maximum field of 1.5 T. The room temperature real and imaginary part of permeability(mu' and mu'') has been measured in the frequency range of 1MHz to 1GHz. The room temperature XRD patterns exhibits the spinel cubic (Fm-3m) structure and broad XRD patterns shows the presence of nanoparticles. The imaginary part of the permeability (mu'') gradually increased with the frequency and took a broad maximum at a certain frequency, where the real permeability (mu') rapidly decreases, which is known as natural resonance. The coercive filed values are low, hence probability of domain rotation is also lower and the magnetization decreased with zinc substitution. The values of mu' and mu'' increases sharply, attained a maximum and then decreases with zinc content.

Edge states, spin transport, and impurity-induced local density of states in spin-orbit coupled graphene

We study graphene, which has both spin-orbit coupling (SOC), taken to be of the Kane-Mele form, and a Zeeman field induced due to proximity to a ferromagnetic material. We show that a zigzag interface of graphene having SOC with its pristine counterpart hosts robust chiral edge modes in spite of the gapless nature of the pristine graphene; such modes do not occur for armchair interfaces. Next we study the change in the local density of states (LDOS) due to the presence of an impurity in graphene with SOC and Zeeman field, and demonstrate that the Fourier transform of the LDOS close to the Dirac points can act as a measure of the strength of the spin-orbit coupling; in addition, for a specific distribution of impurity atoms, the LDOS is controlled by a destructive interference effect of graphene electrons which is a direct consequence of their Dirac nature. Finally, we study transport across junctions, which separates spin-orbit coupled graphene with Kane-Mele and Rashba terms from pristine graphene both in the presence and absence of a Zeeman field. We demonstrate that such junctions are generally spin active, namely, they can rotate the spin so that an incident electron that is spin polarized along some direction has a finite probability of being transmitted with the opposite spin. This leads to a finite, electrically controllable, spin current in such graphene junctions. We discuss possible experiments that can probe our theoretical predictions.

Waxing and waning of observed extreme annual tropical rainfall

We begin by providing observational evidence that the probability of encountering very high and very low annual tropical rainfall has increased significantly in the most recent decade (1998-present) compared with the preceding warming era (1979-1997). These changes over land and ocean are spatially coherent and comprise a rearrangement of very wet regions and a systematic expansion of dry zones. While the increased likelihood of extremes is consistent with a higher average temperature during the pause (compared with 1979-1997), it is important to note that the periods considered are also characterized by a transition from a relatively warm to a cold phase of the El Nino Southern Oscillation (ENSO). To probe the relation between contrasting phases of ENSO and extremes in accumulation further, a similar comparison is performed between 1960 and 1978 (another extended cold phase of ENSO) and the aforementioned warming era. Though limited by land-only observations, in this cold-to-warm transition, remarkably, a near-exact reversal of extremes is noted both statistically and geographically. This is despite the average temperature being higher in 1979-1997 compared with 1960-1978. Taking this evidence together, we propose that there is a fundamental mode of natural variability, involving the waxing and waning of extremes in accumulation of global tropical rainfall with different phases of ENSO.

Image-based localization and pose recovery using scale invariant features

In this paper, we propose a vision based mobile robot localization strategy. Local scale-invariant features are used as natural landmarks in unstructured and unmodified environment. The local characteristics of the features we use prove to be robust to occlusion and outliers. In addition, the invariance of the features to viewpoint change makes them suitable landmarks for mobile robot localization. Scale-invariant features detected in the first exploration are indexed into a location database. Indexing and voting allow efficient recognition of global localization. The localization result is verified by epipolar geometry between the representative view in database and the view to be localized, thus the probability of false localization will be decreased. The localization system can recover the pose of the camera mounted on the robot by essential matrix decomposition. Then the position of the robot can be computed easily. Both calibrated and un-calibrated cases are discussed and relative position estimation based on calibrated camera turns out to be the better choice. Experimental results show that our approach is effective and reliable in the case of illumination changes, similarity transformations and extraneous features. © 2004 IEEE.

Effects of stochastic extension in ideal microcrack system

The effects of stochastic extension on the statistical evolution of the ideal microcrack system are discussed. First, a general theoretical formulation and an expression for the transition probability of extension process are presented, then the features of evolution in stochastic model are demonstrated by several numerical results and compared with that in deterministic model.

Determination of drugs used in combined cardiovascular therapy

Cardiovascular diseases are nowadays the first cause of mortality worldwide, causing around the 30% of global deaths each year. The risk of suffering from cardiovascular illnesses is strongly related to some factors such as hypertension, high cholesterol levels, diabetes, obesity The combination of these different risk factors is known as metabolic syndrome and it is considered a pandemic due to the high prevalence worldwide. The pathology of the disorders implies a combined cardiovascular therapy with drugs which have different targets and mechanisms of action, to regulate each factor separately. The simultaneous analysis of these drugs turns interesting but it is a complex task since the determination of multiple substances with different physicochemical properties and physiological behavior is always a challenge for the analytical chemist. The complexity of the biological matrices and the difference in the expected concentrations of some analytes require the development of extremely sensitive and selective determination methods. The aim of this work is to fill the gap existing in this field of the drug analysis, developing analytical methods capable of quantifying the different drugs prescribed in combined cardiovascular therapy simultaneously. Liquid chromatography andem mass spectrometry (LCMS/MS) has been the technique of choice throughout the main part of this work, due to the high sensitivity and selectivity requirements.

Flood of September 20-23, 1969 in the Gadsden County area, Florida

The center of low pressure of a tropical disturbance which moved northward in the Gulf of Mexico, reached land between Panama City and Port St. Joe, Florida, on September 20, 1969. This system was nearly stationary for 48 hours producing heavy rainfall in the Quincy-Havana area, 70-80 miles northeast of the center. Rainfall associated with the tropical disturbance exceeded 20 inches over a part of Gadsden County, Florida, during September 20 through 23, 1969, and the maximum rainfall of record occurred at Quincy with 10.87 inches during a 6-hour period on September 21. The 48-hour maximum of 17.71 inches exceeded the 1 in 100-year probability of 16 inches for a 7-day period. The previous maximum rainfall of record at Quincy (more than 12 inches) was on September 14-15, 1924. The characteristics of this historical storm were similar in path and effect to the September 1969 tropical disturbance. Peak runoff from a 1.4-square mile area near Midway, Florida, was 1,540 cfs (cubic feet per second) per square mile. A peak discharge of 45,600 cfs on September 22 at the gaging station on the Little River near Quincy exceeded the previous peak of 25,400 cfs which occurred on December 4, 1964. The peak discharge of 89,400 cfs at Ochlockonee River near Bloxham exceeded the April 1948 peak of 50,200 cfs, which was the previous maximum of record, by 1.8 times. Many flood-measurement sites had peak discharges in excess of that of a 50-year flood. Nearly $200,000 was spent on emergency repairs to roads. An additional $520,000 in contractual work was required to replace four bridges that were destroyed. Agricultural losses were estimated at $1,000,000. (44 page document)

Conceptual model of salt marsh management on Merritt Island National Wildlife Refuge, Florida: final report

Diking and holding water on salt marshes ("impounding" the marsh) is a management technique used on Merritt Island National Wildlife Refuge (MINWR) and elsewhere in the Southeast to: a) prevent the reproduction of saltmarsh mosquitos, and b) attract wintertering waterfowl and other marsh, shore, and wading birds. Because of concern that diking and holding water may interfere with the production of estuarine fish and shellfish, impoundment managers are being asked to consider altering management protocol to reduce or eliminate any such negative influence. How to change protocol and preserve effective mosquito control and wildlife management is a decision of great complexity because: a) the relationships between estuarine organisms and the fringing salt marshes at the land-water interface are complex, and b) impounded marshes are currently good habitat for a variety of species of fish and wildlife. Most data collection by scientists and managers in the area has not been focused on this particular problem. Furthermore, collection of needed data may not be possible before changes in protocol are demanded. Therefore, the purpose of this document is two-fold: 1) to suggest management alternatives, given existing information, and 2) to help identify research needs that have a high probability of leading to improved simultaneous management of mosquitos, waterfowl, other wildlife, freshwater fish, and estuarine fish and shellfish on the marshland of the Merritt Island National Wildlife Refuge. (92 page document)

Efecto de la formación en el trabajo sobre la movilidad laboral

[ES] En este trabajo se analiza empíricamente la relación existente entre la formación dada por la empresa a sus trabajadores y la posterior salida de la empresa de dichos trabajadores. La principal aportación a la literatura existente en este campo se encuentra en la metodología empírica que se utiliza. En concreto, se propone un modelo de estimación que específicamente tiene en cuenta la posible endogeneidad existente entre la variable de formación y la de movilidad laboral.

Potential use of remote sensing to assess effects of wave action on plant re-establishment

Evaluation of the potential for remote sensing to detect a relationship between wave action factors and plant re-establishment after a habitat enhancement at Lake Kissimmee, Florida. Using Geographic Information Systems (GIS) and remote sensing, wave action factors were found to be inversely related to the probability of plant re-establishment. However, correlation of wave action factors with areal coverage of aquatic plants based on field measurements, were unable to detect a significant relationship. Other factors aside from wave action, including littoral slope and the presence of offshore vegetation, may have influenced plant re-establishment in these sites. Remote sensing techniques may be useful to detect large changes in plants communities, however small changes in plant coverages may not be detectable using this technique.

A probability-based approach to setting annual catch levels.

The requirement of setting annual catch limits to prevent overfishing has been added to the Magnuson-Stevens Fishery Conservation and Management Reauthorization Act of 2006 (MSRA). Because this requirement is new, a body of applied scientific practice for deriving annual catch limits and accompanying targets does not yet exist. This article demonstrates an approach to setting levels of catch that is intended to keep the probability of future overfishing at a preset low level. The proposed framework is based on stochastic projection with uncertainty in population dynamics. The framework extends common projection methodology by including uncertainty in the limit reference point and in management implementation, and by making explicit the risk of overfishing that managers consider acceptable. The approach is illustrated with application to gag (Mycteroperca microlepis), a grouper that inhabits the waters off the southeastern United States. Although devised to satisfy new legislation of the MSRA, the framework has potential application to any fishery where the management goal is to limit the risk of overfishing by controlling catch.

Characterization of the benthos, marine debris and bottom fish at Gray’s Reef National Marine Sanctuary

Executive Summary: Baseline characterization of resources is an essential part of marine protected area (MPA) management and is critical to inform adaptive management. Gray’s Reef National Marine Sanctuary (GRNMS) currently lacks adequate characterization of several key resources as identified in the 2006 Final Management Plan. The objectives of this characterization were to fulfill this need by characterizing the bottom fish, benthic features, marine debris, and the relationships among them for the different bottom types within the sanctuary: ledges, sparse live bottom, rippled sand, and flat sand. Particular attention was given to characterizing the different ledge types, their fish communities, and the marine debris associated with them given the importance of this bottom type to the sanctuary. The characterization has been divided into four sections. Section 1 provides a brief overview of the project, its relevance to sanctuary needs, methods of site selection, and general field procedures. Section 2 provides the survey methods, results, discussion, and recommendations for monitoring specific to the benthic characterization. Section 3 describes the characterization of marine debris. Section 4 is specific to the characterization of bottom fish. Field surveys were conducted during August 2004, May 2005, and August 2005. A total of 179 surveys were completed over ledge bottom (n=92), sparse live bottom (n=51), flat sand (n=20), and rippled sand (n=16). There were three components to each field survey: fish counting, benthic assessment, and quantification of marine debris. All components occurred within a 25 x 4 m belt transect. Two divers performed the transect at each survey site. One diver was responsible for identification of fish species, size, and abundance using a visual survey. The second diver was responsible for characterization of benthic features using five randomly placed 1 m2 quadrats, measuring ledge height and other benthic structures, and quantifying marine debris within the entire transect. GRNMS is composed of four main bottom types: flat sand, rippled sand, sparsely colonized live bottom, and densely colonized live bottom (ledges). Independent evaluation of the thematic accuracy of the GRNMS benthic map produced by Kendall et al. (2005) revealed high overall accuracy (93%). Most discrepancies between map and diver classification occurred during August 2004 and likely can be attributed to several factors, including actual map or diver errors, and changes in the bottom type due to physical forces. The four bottom types have distinct physical and biological characteristics. Flat and rippled sand bottom types were composed primarily of sand substrate and secondarily shell rubble. Flat sand and rippled sand bottom types were characterized by low percent cover (0-2%) of benthic organisms at all sites. Although the sand bottom types were largely devoid of epifauna, numerous burrows indicate the presence of infaunal organisms. Sparse live bottom and ledges were colonized by macroalgae and numerous invertebrates, including coral, gorgonians, sponges, and “other” benthic species (such as tunicates, anemones, and bryozoans). Ledges and sparse live bottom were similar in terms of diversity (H’) given the level of classification used here. However, percent cover of benthic species, with the exception of gorgonians, was significantly greater on ledge than on sparse live bottom. Percent biotic cover at sparse live bottom ranged from 0.7-26.3%, but was greater than 10% at only 7 out of 51 sites. Colonization on sparse live bottom is likely inhibited by shifting sands, as most sites were covered in a layer of sediment up to several centimeters thick. On ledge bottom type, percent cover ranged from 0.42-100%, with the highest percent cover at ledges in the central and south-central region of GRNMS. Biotic cover on ledges is influenced by local ledge characteristics. Cluster analysis of ledge dimensions (total height, undercut height, undercut width) resulted in three main categories of ledges, which were classified as short, medium, and tall. Median total percent cover was 97.6%, 75.1%, and 17.7% on tall, medium, and short ledges, respectively. Total percent cover and cover of macroalgae, sponges, and other organisms was significantly lower on short ledges compared to medium and tall ledges, but did not vary significantly between medium and tall ledges. Like sparse live bottom, short ledges may be susceptible to burial by sand, however the results indicate that ledge height may only be important to a certain threshold. There are likely other factors not considered here that also influence spatial distribution and community structure (e.g., small scale complexity, ocean currents, differential settlement patterns, and biological interactions). GRNMS is a popular site for recreational fishing and boating, and there has been increased concern about the accumulation of debris in the sanctuary and potential effects on sanctuary resources. Understanding the types, abundance, and distribution of debris is essential to improving debris removal and education efforts. Approximately two-thirds of all observed debris items found during the field surveys were fishing gear, and about half of the fishing related debris was monofilament fishing line. Other fishing related debris included leaders and spear gun parts, and non-gear debris included cans, bottles, and rope. The spatial distribution of debris was concentrated in the center of the sanctuary and was most frequently associated with ledges rather than at other bottom types. Several factors may contribute to this observation. Ledges are often targeted by fishermen due to the association of recreationally important fish species with this bottom type. In addition, ledges are structurally complex and are often densely colonized by biota, providing numerous places for debris to become stuck or entangled. Analysis of observed boat locations indicated that higher boat activity, which is an indication of fishing, occurs in the center of the sanctuary. On ledges, the presence and abundance of debris was significantly related to observed boat density and physiographic features including ledge height, ledge area, and percent cover. While it is likely that most fishing related debris originates from boats inside the sanctuary, preliminary investigation of ocean current data indicate that currents may influence the distribution and local retention of more mobile items. Fish communities at GRNMS are closely linked to benthic habitats. A list of species encountered, probability of occurrence, abundance, and biomass by habitat is provided. Species richness, diversity, composition, abundance, and biomass of fish all showed striking differences depending on bottom type with ledges showing the highest values of nearly all metrics. Species membership was distinctly separated by bottom type as well, although very short, sparsely colonized ledges often had a similar community composition to that of sparse live bottom. Analysis of fish communities at ledges alone indicated that species richness and total abundance of fish were positively related to total percent cover of sessile invertebrates and ledge height. Either ledge attribute was sufficient to result in high abundance or species richness of fish. Fish diversity (H`) was negatively correlated with undercut height due to schools of fish species that utilize ledge undercuts such as Pareques species. Concurrent analysis of ledge types and fish communities indicated that there are five distinct combinations of ledge type and species assemblage. These include, 1) short ledges with little or no undercut that lacked many of the undercut associated species except Urophycis earlii ; 2) tall, heavily colonized, deeply undercut ledges typically with Archosargus probatocephalus, Mycteroperca sp., and Pareques sp.; 3) tall, heavily colonized but less undercut with high occurrence of Lagodon rhomboides and Balistes capriscus; 4) short, heavily colonized ledges typically with Centropristis ocyurus, Halichoeres caudalis, and Stenotomus sp.; and 5) tall, heavily colonized, less undercut typically with Archosargus probatocephalus, Caranx crysos and Seriola sp.. Higher levels of boating activity and presumably fishing pressure did not appear to influence species composition or abundance at the community level although individual species appeared affected. These results indicate that merely knowing the basic characteristics of a ledge such as total height, undercut width, and percent cover of sessile invertebrates would allow good prediction of not only species richness and abundance of fish but also which particular fish species assemblages are likely to occur there. Comparisons with prior studies indicate some major changes in the fish community at GRNMS over the last two decades although the causes of the changes are unknown. Species of interest to recreational fishermen including Centropristis striata, Mycteroperca microlepis, and Mycteroperca phenax were examined in relation to bottom features, areas of assumed high versus low fishing pressure, and spatial dispersion. Both Mycteroperca species were found more frequently when undercut height of ledges was taller. They often were found together in small mixed species groups at ledges in the north central and southwest central regions of the sanctuary. Both had lower mode size and proportion of fish above the fishery size limit in heavily fished areas of the sanctuary (i.e. high boat density) despite the presence of better habitat in that region. Black sea bass, C. striata, occurred at 98% of the ledges surveyed and appeared to be evenly distributed throughout the sanctuary. Abundance was best explained by a positive relationship with percent cover of sessile biota but was also negatively related to presence of either Mycteroperca species. This may be due to predation by the Mycteroperca species or avoidance of sites where they are present by C. striata. Suggestions for monitoring bottom features, marine debris, and bottom fish at GRNMS are provided at the end of each chapter. The present assessment has established quantitative baseline characteristics of many of the key resources and use issues at GRNMS. The methods can be used as a model for future assessments to track the trajectory of GRNMS resources. Belt transects are ideally suited to providing efficient and quantitative assessment of bottom features, debris, and fish at GRNMS. The limited visibility, sensitivity of sessile biota, and linear nature of ledge habitats greatly diminish the utility of other sampling techniques. Ledges should receive the bulk of future characterization effort due to their importance to the sanctuary and high variability in physical structure, benthic composition, and fish assemblages. (PDF contains 107 pages.)

Olympic Coast National Marine Sanctuary Habitat Mapping: Survey report and classification of side scan sonar data from surveys HMPR-114-2004-02 and HMPR-116-2005-01.

The Olympic Coast National Marine Sanctuary (OCNMS) continues to invest significant resources into seafloor mapping activities along Washington’s outer coast (Intelmann and Cochrane 2006; Intelmann et al. 2006; Intelmann 2006). Results from these annual mapping efforts offer a snapshot of current ground conditions, help to guide research and management activities, and provide a baseline for assessing the impacts of various threats to important habitat. During the months of August 2004 and May and July 2005, we used side scan sonar to image several regions of the sea floor in the northern OCNMS, and the data were mosaicked at 1-meter pixel resolution. Video from a towed camera sled, bathymetry data, sedimentary samples and side scan sonar mapping were integrated to describe geological and biological aspects of habitat. Polygon features were created and attributed with a hierarchical deep-water marine benthic classification scheme (Greene et al. 1999). For three small areas that were mapped with both side scan sonar and multibeam echosounder, we made a comparison of output from the classified images indicating little difference in results between the two methods. With these considerations, backscatter derived from multibeam bathymetry is currently a costefficient and safe method for seabed imaging in the shallow (<30 meters) rocky waters of OCNMS. The image quality is sufficient for classification purposes, the associated depths provide further descriptive value and risks to gear are minimized. In shallow waters (<30 meters) which do not have a high incidence of dangerous rock pinnacles, a towed multi-beam side scan sonar could provide a better option for obtaining seafloor imagery due to the high rate of acquisition speed and high image quality, however the high probability of losing or damaging such a costly system when deployed as a towed configuration in the extremely rugose nearshore zones within OCNMS is a financially risky proposition. The development of newer technologies such as intereferometric multibeam systems and bathymetric side scan systems could also provide great potential for mapping these nearshore rocky areas as they allow for high speed data acquisition, produce precisely geo-referenced side scan imagery to bathymetry, and do not experience the angular depth dependency associated with multibeam echosounders allowing larger range scales to be used in shallower water. As such, further investigation of these systems is needed to assess their efficiency and utility in these environments compared to traditional side scan sonar and multibeam bathymetry. (PDF contains 43 pages.)