DEFINING alpha-HELIX GEOMETRY BY C-alpha ATOM TRACE vs (phi-psi) TORSION ANGLES: A COMPARATIVE ANALYSIS

A regular secondary structure is described by a well defined set of values for the backbone dihedral angles (phi,psi and omega) in a polypeptide chain. However in real protein structures small local variations give rise to distortions from the ideal structures, which can lead to considerable variation in higher order organization. Protein structure analysis and accurate assignment of various structural elements, especially their terminii, are important first step in protein structure prediction and design. Various algorithms are available for assigning secondary structure elements in proteins but some lacunae still exist. In this study, results of a recently developed in-house program ASSP have been compared with those from STRIDE, in identification of alpha-helical regions in both globular and membrane proteins. It is found that, while a combination of hydrogen bond patterns and backbone torsional angles (phi-psi) are generally used to define secondary structure elements, the geometry of the C-alpha atom trace by itself is sufficient to define the parameters of helical structures in proteins. It is also possible to differentiate the various helical structures by their C-alpha trace and identify the deviations occurring both at mid-positions as well as at the terminii of alpha-helices, which often lead to occurrence of 3(10) and pi-helical fragments in both globular and membrane proteins.

Trace Formulae for Curvature of Jet Bundles over Planar Domains

For a domain Omega in C and an operator T in B-n(Omega), Cowen and Douglas construct a Hermitian holomorphic vector bundle E-T over Omega corresponding to T. The Hermitian holomorphic vector bundle E-T is obtained as a pull-back of the tautological bundle S(n, H) defined over by Gr(n, H) a nondegenerate holomorphic map z bar right arrow ker(T - z), z is an element of Omega. To find the answer to the converse, Cowen and Douglas studied the jet bundle in their foundational paper. The computations in this paper for the curvature of the jet bundle are rather intricate. They have given a set of invariants to determine if two rank n Hermitian holomorphic vector bundle are equivalent. These invariants are complicated and not easy to compute. It is natural to expect that the equivalence of Hermitian holomorphic jet bundles should be easier to characterize. In fact, in the case of the Hermitian holomorphic jet bundle J(k)(L-f), we have shown that the curvature of the line bundle L-f completely determines the class of J(k)(L-f). In case of rank Hermitian holomorphic vector bundle E-f, We have calculated the curvature of jet bundle J(k)(E-f) and also obtained a trace formula for jet bundle J(k)(E-f).

Retrieving clay minerals from stabilised soil compacts

Stabilised soil products such as stabilised soil blocks, rammed earth and stabilised adobe are being used for building construction since the last 6-7 decades. Major advantages of stabilised soil products include low embodied carbon, use of local materials, decentralized production, and easy to adjust the strength, texture, size and shape. Portland cement and lime represent the most commonly used stabilisers for stabilised soil products. The mechanism of strength development in cement and lime stabilised soils is distinctly different. The paper presents results of scientific investigations pertaining to the status of clay minerals in the 28 day cured cement and lime stabilised soil compacts. XRD, SEM imaging, grain size distribution and Atterberg's limits of the ground stabilised soil products and the natural soil were determined. Results reveal that clay minerals can be retrieved from cement stabilised soil products, whereas in lime stabilised soil products clay minerals get consumed in the lime-clay reactions and negligible percentage of clay minerals are left in the stabilised soil compacts. The results of the present investigation clearly demonstrate that cement stabilisation is superior to lime stabilisation in retrieving the clay minerals from the stabilised soil compacts. (C) 2014 Elsevier B.V. All rights reserved.

Trace Driven Dynamic Deadlock Detection and Reproduction

Dynamic analysis techniques have been proposed to detect potential deadlocks. Analyzing and comprehending each potential deadlock to determine whether the deadlock is feasible in a real execution requires significant programmer effort. Moreover, empirical evidence shows that existing analyses are quite imprecise. This imprecision of the analyses further void the manual effort invested in reasoning about non-existent defects. In this paper, we address the problems of imprecision of existing analyses and the subsequent manual effort necessary to reason about deadlocks. We propose a novel approach for deadlock detection by designing a dynamic analysis that intelligently leverages execution traces. To reduce the manual effort, we replay the program by making the execution follow a schedule derived based on the observed trace. For a real deadlock, its feasibility is automatically verified if the replay causes the execution to deadlock. We have implemented our approach as part of WOLF and have analyzed many large (upto 160KLoC) Java programs. Our experimental results show that we are able to identify 74% of the reported defects as true (or false) positives automatically leaving very few defects for manual analysis. The overhead of our approach is negligible making it a compelling tool for practical adoption.

Trace Formulae in Operator Theory

In this article, we survey several kinds of trace formulas that one encounters in the theory of single and multi-variable operators. We give some sketches of the proofs, often based on the principle of finite-dimensional approximations to the objects at hand in the formulas.

Isotopes in cosmochemistry: recipe for a Solar System

Extreme isotopic variations among extraterrestrial materials provide great insights into the origin and evolution of the Solar System. In this tutorial review, we summarize how the measurement of isotope ratios can expand our knowledge of the processes that took place before and during the formation of our Solar System and its subsequent early evolution. The continuous improvement of mass spectrometers with high precision and increased spatial resolution, including secondary ion mass spectrometry (SIMS), thermal ionization mass spectrometry (TIMS) and multi collector-inductively coupled plasma-mass spectrometry (MC-ICP-MS), along with the ever growing amounts of available extraterrestrial samples have significantly increased the temporal and spatial constraints on the sequence of events that took place since and before the formation of the first Solar System condensates (i.e., Ca-Al-rich inclusions). Grains sampling distinct stellar environments with a wide range of isotopic compositions were admixed to, but possibly not fully homogenized in, the Sun's parent molecular cloud or the nascent Solar System. Before, during and after accretion of the nebula, as well as the formation and subsequent evolution of planetesimals and planets, chemical and physical fractionation processes irrevocably changed the chemical and isotopic compositions of all Solar System bodies. Since the formation of the first Solar System minerals and rocks 4.568 Gyr ago, short-and long-lived radioactive decay and cosmic ray interaction also contributed to the modification of the isotopic framework of the Solar System, and permit to trace the formation and evolution of directly accessible and inferred planetary and stellar isotopic reservoirs.

Diez años de investigación sobre teatro traducido en España: el proyecto TRACE y los archivos de censura

[EN] This contribution offers a brief overview of research undertaken for the last few years under the TRACE (translation and censorship, or censored translations) project with respect to theatre. The AGA (General Administration Archive in Alcala de Henares, Madrid), a unique source for information for translation scholars, has become the focus of TRACE-theatre investigations on Francoist Spain in the last few years. In Spain, these censorship archives have proved to be an essential source of information, and a rich reservoir of data that, when explored in depth, help draw a history of Spanish theatre in translation. Contrary to what one may think at first, the purpose of using censorship archives in TRACE is not only to check what got censored (banned, crossed out or modified) but rather to trace back all written evidence left by plays that underwent the bureaucratic censoring process which was applied to all cultural manifestations, national or foreign, theatrical as well as non-dramatic. And it is precisely when tracing back censorship records that one finds a way to uncover a history of Spanish theatre in translation that is yet to be written but can now be outlined.

Presentación de la Base de Datos TRACE. (Traducciones censuradas Inglés-Español)

Eterio Pajares, Raquel Merino y José Miguel Santamaría (eds.)

La labor del equipo TRACE: metodología descriptiva de la censura en traducción

Raquel Merino Álvarez, José Miguel Santamaría, Eterio Pajares (eds.)

Traducciones (censuradas) de teatro inglés en la España de Franco. TRACE: Una perspectiva histórica

[ES] La historia del teatro traducido en la España del siglo XX está aún por escribirse. Este segmento de nuestra cultura traducida ha sido tradicionalmente ignorado en las historias del teatro español. Por suerte, lo que hace sólo veinte años se describía como un páramo investigador es hoy un terreno mucho mejor abonado y roturado. Las investigaciones sobre teatro traducido que han visto la luz progresivamente en estos años nos permitirán en breve escribir y documentar la historia del teatro traducido. Se ofrece en este artículo una visión del modo en que podría acometerse esa tarea,partiendo de lo ya investigado en el proyecto TRACE desde la perspectiva de lo archivado por la censura (de teatro) en la época de Franco.

Trace element concentrations in muscle tissue of the benthopelagic grenadier (Coryphaenoides armatus) from the Iberian deep-sea

11 specimens of Coryphaenoides armatus were collected at former dumping sites for radioactive material in the Iberian deep sea at a depth of 4700 m and their muscle tissue was analysed for four trace elements (copper, zinc, cadmium and lead) by differential pulse anodic stripping voltammetry (DPSAV). Concentrations of zinc were typical for fish muscle in general; copper content was somewhat higher than generally found in fish. The cadmium and lead contents were at a level found in fish from the open sea but the lead content of 2 specimens taken in area East-B was found to be higher.

Trace Metal Sensors for Coastal Monitoring, Seaside, California, April 11-13, 2005: workshop proceedings

The Alliance for Coastal Technologies (ACT) Workshop on Trace Metal Sensors for Coastal Monitoring was convened April 11-13, 2005 at the Embassy Suites in Seaside, California with partnership from Moss Landing Marine Laboratories (MLML) and the Monterey Bay Aquarium Research Institute (MBARI). Trace metals play many important roles in marine ecosystems. Due to their extreme toxicity, the effects of copper, cadmium and certain organo-metallinc compounds (such as tributyltin and methylmercury) have received much attention. Lately, the sublethal effects of metals on phytoplankton biochemistry, and in some cases the expression of neurotoxins (Domoic acid), have been shown to be important environmental forcing functions determining the composition and gene expression in some groups. More recently the role of iron in controlling phytoplankton growth has led to an understanding of trace metal limitation in coastal systems. Although metals play an important role at many different levels, few technologies exist to provide rapid assessment of metal concentrations or metal speciation in the coastal zone where metal-induced toxicity or potential stimulation of harmful algal blooms, can have major economic impacts. This workshop focused on the state of on-site and in situ trace element detection technologies, in terms of what is currently working well and what is needed to effectively inform coastal zone managers, as well as guide adaptive scientific sampling of the coastal zone. Specifically the goals of this workshop were to: 1) summarize current regional requirements and future targets for metal monitoring in freshwater, estuarine and coastal environments; 2) evaluate the current status of metal sensors and possibilities for leveraging emerging technologies for expanding detection limits and target elements; and 3) help identify critical steps needed for and limits to operational deployment of metal sensors as part of routine water quality monitoring efforts. Following a series of breakout group discussions and overview talks on metal monitoring regulatory issues, analytical techniques and market requirements, workshop participants made several recommendations for steps needed to foster development of in situ metal monitoring capacities: 1. Increase scientific and public awareness of metals of environmental and biological concern and their impacts in aquatic environments. Inform scientific and public communities regarding actual levels of trace metals in natural and perturbed systems. 2. Identify multiple use applications (e.g., industrial waste steam and drinking water quality monitoring) to support investments in metal sensor development. (pdf contains 27 pages)

Trace metals -- a potential threat to our fishing industry

Trace metals constitute a major form of water pollutant that can adversely affect fish production. The potentially toxic metals have been identified as lead, zinc, copper, arsenic, antimony, mercury beryllium, barium, cadmium, chromium, nickel, selenium among others. Preliminary laboratory studies have been directed to the determination of traces of lead in the aquatic biota and its toxicity. There are indications that the levels reported in effluents from some of the industries may be above the tolerant limits of local fish species and organisms that make up their food. Metal pollution could become a serious problem to freshwater fisheries in the future as a result of increasing urbanization and industrialization, unless efforts are made to prevent it

Studies of the equation of state and elasticity of mantle minerals

Because the Earth’s upper mantle is inaccessible to us, in order to understand the chemical and physical processes that occur in the Earth’s interior we must rely on both experimental work and computational modeling. This thesis addresses both of these geochemical methods. In the first chapter, I develop an internally consistent comprehensive molar volume model for spinels in the oxide system FeO-MgO-Fe₂O₃-Cr₂O₃-Al₂O₃-TiO₂. The model is compared to the current MELTS spinel model with a demonstration of the impact of the model difference on the estimated spinel-garnet lherzolite transition pressure. In the second chapter, I calibrate a molar volume model for cubic garnets in the system SiO₂-Al₂O₃-TiO₂-Fe₂O₃-Cr₂O₃-FeO-MnO-MgO-CaO-Na₂O. I use the method of singular value analysis to calibrate excess volume of mixing parameters for the garnet model. The implications the model has for the density of the lithospheric mantle are explored. In the third chapter, I discuss the nuclear inelastic X-ray scattering (NRIXS) method, and present analysis of three orthopyroxene samples with different Fe contents. Longitudinal and shear wave velocities, elastic parameters, and other thermodynamic information are extracted from the raw NRIXS data.