Chemical element transport in stellar evolution models.

PubMed

Salaris, Maurizio; Cassisi, Santi

2017-08-01

Stellar evolution computations provide the foundation of several methods applied to study the evolutionary properties of stars and stellar populations, both Galactic and extragalactic. The accuracy of the results obtained with these techniques is linked to the accuracy of the stellar models, and in this context the correct treatment of the transport of chemical elements is crucial. Unfortunately, in many respects calculations of the evolution of the chemical abundance profiles in stars are still affected by sometimes sizable uncertainties. Here, we review the various mechanisms of element transport included in the current generation of stellar evolution calculations, how they are implemented, the free parameters and uncertainties involved, the impact on the models and the observational constraints.

Chemical Differentiation of Osseous, Dental, and Non-skeletal Materials in Forensic Anthropology using Elemental Analysis.

PubMed

Zimmerman, Heather A; Meizel-Lambert, Cayli J; Schultz, John J; Sigman, Michael E

2015-03-01

Forensic anthropologists are generally able to identify skeletal materials (bone and tooth) using gross anatomical features; however, highly fragmented or taphonomically altered materials may be problematic to identify. Several chemical analysis techniques have been shown to be reliable laboratory methods that can be used to determine if questionable fragments are osseous, dental, or non-skeletal in nature. The purpose of this review is to provide a detailed background of chemical analysis techniques focusing on elemental compositions that have been assessed for use in differentiating osseous, dental, and non-skeletal materials. More recently, chemical analysis studies have also focused on using the elemental composition of osseous/dental materials to evaluate species and provide individual discrimination, but have generally been successful only in small, closed groups, limiting their use forensically. Despite significant advances incorporating a variety of instruments, including handheld devices, further research is necessary to address issues in standardization, error rates, and sample size/diversity. Copyright © 2014 Forensic Science Society. Published by Elsevier Ireland Ltd. All rights reserved.

Identifying chemicals that are planetary boundary threats.

PubMed

MacLeod, Matthew; Breitholtz, Magnus; Cousins, Ian T; de Wit, Cynthia A; Persson, Linn M; Rudén, Christina; McLachlan, Michael S

2014-10-07

Rockström et al. proposed a set of planetary boundaries that delimit a "safe operating space for humanity". Many of the planetary boundaries that have so far been identified are determined by chemical agents. Other chemical pollution-related planetary boundaries likely exist, but are currently unknown. A chemical poses an unknown planetary boundary threat if it simultaneously fulfills three conditions: (1) it has an unknown disruptive effect on a vital Earth system process; (2) the disruptive effect is not discovered until it is a problem at the global scale, and (3) the effect is not readily reversible. In this paper, we outline scenarios in which chemicals could fulfill each of the three conditions, then use the scenarios as the basis to define chemical profiles that fit each scenario. The chemical profiles are defined in terms of the nature of the effect of the chemical and the nature of exposure of the environment to the chemical. Prioritization of chemicals in commerce against some of the profiles appears feasible, but there are considerable uncertainties and scientific challenges that must be addressed. Most challenging is prioritizing chemicals for their potential to have a currently unknown effect on a vital Earth system process. We conclude that the most effective strategy currently available to identify chemicals that are planetary boundary threats is prioritization against profiles defined in terms of environmental exposure combined with monitoring and study of the biogeochemical processes that underlie vital Earth system processes to identify currently unknown disruptive effects.

A multi-element screening method to identify metal targets for blood biomonitoring in green sea turtles (Chelonia mydas).

PubMed

Villa, C A; Finlayson, S; Limpus, C; Gaus, C

2015-04-15

Biomonitoring of blood is commonly used to identify and quantify occupational or environmental exposure to chemical contaminants. Increasingly, this technique has been applied to wildlife contaminant monitoring, including for green turtles, allowing for the non-lethal evaluation of chemical exposure in their nearshore environment. The sources, composition, bioavailability and toxicity of metals in the marine environment are, however, often unknown and influenced by numerous biotic and abiotic factors. These factors can vary considerably across time and space making the selection of the most informative elements for biomonitoring challenging. This study aimed to validate an ICP-MS multi-element screening method for green turtle blood in order to identify and facilitate prioritisation of target metals for subsequent fully quantitative analysis. Multi-element screening provided semiquantitative results for 70 elements, 28 of which were also determined through fully quantitative analysis. Of the 28 comparable elements, 23 of the semiquantitative results had an accuracy between 67% and 112% relative to the fully quantified values. In lieu of any available turtle certified reference materials (CRMs), we evaluated the use of human blood CRMs as a matrix surrogate for quality control, and compared two commonly used sample preparation methods for matrix related effects. The results demonstrate that human blood provides an appropriate matrix for use as a quality control material in the fully quantitative analysis of metals in turtle blood. An example for the application of this screening method is provided by comparing screening results from blood of green turtles foraging in an urban and rural region in Queensland, Australia. Potential targets for future metal biomonitoring in these regions were identified by this approach. Copyright © 2014 Elsevier B.V. All rights reserved.

Identifying interactions between chemical entities in biomedical text.

PubMed

Lamurias, Andre; Ferreira, João D; Couto, Francisco M

2014-10-23

Interactions between chemical compounds described in biomedical text can be of great importance to drug discovery and design, as well as pharmacovigilance. We developed a novel system, \\"Identifying Interactions between Chemical Entities\\" (IICE), to identify chemical interactions described in text. Kernel-based Support Vector Machines first identify the interactions and then an ensemble classifier validates and classifies the type of each interaction. This relation extraction module was evaluated with the corpus released for the DDI Extraction task of SemEval 2013, obtaining results comparable to state-of-the-art methods for this type of task. We integrated this module with our chemical named entity recognition module and made the whole system available as a web tool at www.lasige.di.fc.ul.pt/webtools/iice.

Identifying interactions between chemical entities in biomedical text.

PubMed

Lamurias, Andre; Ferreira, João D; Couto, Francisco M

2014-12-01

Interactions between chemical compounds described in biomedical text can be of great importance to drug discovery and design, as well as pharmacovigilance. We developed a novel system, "Identifying Interactions between Chemical Entities" (IICE), to identify chemical interactions described in text. Kernel-based Support Vector Machines first identify the interactions and then an ensemble classifier validates and classifies the type of each interaction. This relation extraction module was evaluated with the corpus released for the DDI Extraction task of SemEval 2013, obtaining results comparable to stateof- the-art methods for this type of task. We integrated this module with our chemical named entity recognition module and made the whole system available as a web tool at www.lasige.di.fc.ul.pt/webtools/iice.

In Silico Screening-Level Prioritization of 8468 Chemicals Produced in OECD Countries to Identify Potential Planetary Boundary Threats.

PubMed

Reppas-Chrysovitsinos, Efstathios; Sobek, Anna; MacLeod, Matthew

2018-01-01

Legislation such as the Stockholm Convention and REACH aim to identify and regulate the production and use of chemicals that qualify as persistent organic pollutants (POPs) and very persistent and very bioaccumulative (vPvB) chemicals, respectively. Recently, a series of studies on planetary boundary threats proposed seven chemical hazard profiles that are distinct from the POP and vPvB profiles. We previously defined two exposure-based hazard profiles; airborne persistent contaminants (APCs) and waterborne persistent contaminants (WPCs) that correspond to two profiles of chemicals that are planetary boundary threats. Here, we extend our method to screen a database of chemicals consisting of 8648 substances produced within the OECD countries. We propose a new scoring scheme to disentangle the POP, vPvB, APC and WPC profiles by focusing on the spatial range of exposure potential, discuss the relationship between high exposure hazard and elemental composition of chemicals, and identify chemicals with high exposure hazard potential.

Chemical studies of elements with Z ⩾ 104 in gas phase

NASA Astrophysics Data System (ADS)

Türler, Andreas; Eichler, Robert; Yakushev, Alexander

2015-12-01

Chemical investigations of superheavy elements in the gas-phase, i.e. elements with Z ≥ 104, allow assessing the influence of relativistic effects on their chemical properties. Furthermore, for some superheavy elements and their compounds quite unique gas-phase chemical properties were predicted. The experimental verification of these properties yields supporting evidence for a firm assignment of the atomic number. Prominent examples are the high volatility observed for HsO4 or the very weak interaction of Cn with gold surfaces. The unique properties of HsO4 were exploited to discover the doubly-magic even-even nucleus 270Hs and the new isotope 271Hs. The combination of kinematic pre-separation and gas-phase chemistry allowed gaining access to a new class of relatively fragile compounds, the carbonyl complexes of elements Sg through Mt. A not yet resolved issue concerns the interaction of Fl with gold surfaces. While competing experiments agree on the fact that Fl is a volatile element, there are discrepancies concerning its adsorption on gold surfaces with respect to its daughter Cn. The elucidation of these and other questions amounts to the fascination that gas-phase chemical investigations exert on current research at the extreme limits of chemistry today.

Some General Laws of Chemical Elements Composition Dynamics in the Hydrosphere

NASA Astrophysics Data System (ADS)

Korzh, V.

2012-12-01

The biophysical oceanic composition is a result of substance migration and transformation on river-sea and ocean- atmosphere boundaries. Chemical composition of oceanic water is a fundamental multi-dimensional constant for our planet. Detailed studies revealed three types of chemical element distribution in the ocean: 1) Conservative: concentration normalized to salinity is constant in space and time; 2) Nutrient-type: element concentration in the surface waters decreases due to the biosphere consumption; and 3) Litho-generative: complex character of distribution of elements, which enter the ocean with the river runoff and interred almost entirely in sediments (Fig. 1). The correlation between the chemical compositions of the river and oceanic water is high (r = 0.94). We conclude that biogeochemical features of each element are determined by the relationship between its average concentration in the ocean and the intensity of its migration through hydrosphere boundary zones. In Fig.1 we show intensities of global migration and average concentrations in the ocean in the coordinates lgC - lg τ, where C is an average element concentration and τ is its residual time in the ocean. Fig. 1 shows a relationship between three main geochemical parameters of the dissolved forms of chemical elements in the hydrosphere: 1) average concentration in the ocean, 2) average concentration in the river runoff and 3) the type of distribution in oceanic water. Using knowledge of two of these parameters, it allows gaining theoretical knowledge of the third. The System covers all chemical elements for the entire range of observed concentrations. It even allows to predict the values of the annual river transport of dissolved Be, C, N, Ge, Tl, Re, to refine such estimates for P, V, Zn, Br, I, and to determine the character of distribution in the ocean for Au and U. Furthermore, the System allowed to estimate natural (unaffected by anthropogenic influence) mean concentrations of elements

Correlative organelle fluorescence microscopy and synchrotron X-ray chemical element imaging in single cells.

PubMed

Roudeau, Stéphane; Carmona, Asuncion; Perrin, Laura; Ortega, Richard

2014-11-01

X-ray chemical element imaging has the potential to enable fundamental breakthroughs in the understanding of biological systems because chemical element interactions with organelles can be studied at the sub-cellular level. What is the distribution of trace metals in cells? Do some elements accumulate within sub-cellular organelles? What are the chemical species of the elements in these organelles? These are some of the fundamental questions that can be addressed by use of X-ray chemical element imaging with synchrotron radiation beams. For precise location of the distribution of the elements, identification of cellular organelles is required; this can be achieved, after appropriate labelling, by use of fluorescence microscopy. As will be discussed, this approach imposes some limitations on sample preparation. For example, standard immunolabelling procedures strongly modify the distribution of the elements in cells as a result of the chemical fixation and permeabilization steps. Organelle location can, however, be performed, by use of a variety of specific fluorescent dyes or fluorescent proteins, on living cells before cryogenic fixation, enabling preservation of element distribution. This article reviews the methods used for fluorescent organelle labelling and X-ray chemical element imaging and speciation of single cells. Selected cases from our work and from other research groups are presented to illustrate the potential of the combination of the two techniques.

Inhomogeneous chemical evolution of r-process elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wehmeyer, B., E-mail: benjamin.wehmeyer@unibas.ch; Thielemann, F.-K.; Pignatari, M.

2016-06-21

We report the results of a galactic chemical evolution (GCE) study for r-process- and alpha elements. For this work, we used the inhomogeneous GCE model ”ICE”, which allows to keep track of the galactic abundances of elements produced by different astrophysical sites. The main input parameters for this study were: a) The Neutron Star Merger (NSM) coalescence time scale, the probability of NSMs, and for the sub-class of ”magneto-rotationally driven Supernovae” (”Jet-SNe”), their occurence rate in comparison to ”standard” Supernovae (SNe).

Fates of Chemical Elements in Biomass during Its Pyrolysis.

PubMed

Liu, Wu-Jun; Li, Wen-Wei; Jiang, Hong; Yu, Han-Qing

2017-05-10

Biomass is increasingly perceived as a renewable resource rather than as an organic solid waste today, as it can be converted to various chemicals, biofuels, and solid biochar using modern processes. In the past few years, pyrolysis has attracted growing interest as a promising versatile platform to convert biomass into valuable resources. However, an efficient and selective conversion process is still difficult to be realized due to the complex nature of biomass, which usually makes the products complicated. Furthermore, various contaminants and inorganic elements (e.g., heavy metals, nitrogen, phosphorus, sulfur, and chlorine) embodied in biomass may be transferred into pyrolysis products or released into the environment, arousing environmental pollution concerns. Understanding their behaviors in biomass pyrolysis is essential to optimizing the pyrolysis process for efficient resource recovery and less environmental pollution. However, there is no comprehensive review so far about the fates of chemical elements in biomass during its pyrolysis. Here, we provide a critical review about the fates of main chemical elements (C, H, O, N, P, Cl, S, and metals) in biomass during its pyrolysis. We overview the research advances about the emission, transformation, and distribution of elements in biomass pyrolysis, discuss the present challenges for resource-oriented conversion and pollution abatement, highlight the importance and significance of understanding the fate of elements during pyrolysis, and outlook the future development directions for process control. The review provides useful information for developing sustainable biomass pyrolysis processes with an improved efficiency and selectivity as well as minimized environmental impacts, and encourages more research efforts from the scientific communities of chemistry, the environment, and energy.

Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data

NASA Astrophysics Data System (ADS)

Wolery, Thomas J.; Jové Colón, Carlos F.

2017-09-01

Chemical thermodynamic data remain a keystone for geochemical modeling and reactive transport simulation as applied to an increasing number of applications in the earth sciences, as well as applications in other areas including metallurgy, material science, and industrial process design. The last century has seen the development of a large body of thermodynamic data and a number of major compilations. The past several decades have seen the development of thermodynamic databases in digital form designed to support computer calculations. However, problems with thermodynamic data appear to be persistent. One problem pertains to the use of inconsistent primary key reference data. Such data pertain to elemental reference forms and key, stoichiometrically simple chemical species including metal oxides, CO2, water, and aqueous species such as Na+ and Cl-. A consistent set of primary key data (standard Gibbs energies, standard enthalpies, and standard entropies for key chemical species) for 298.15 K and 1 bar pressure is essential. Thermochemical convention is to define the standard Gibbs energy and the standard enthalpy of an individual chemical species in terms of formation from reference forms of the constituent chemical elements. We propose a formal concept of "links" to the elemental reference forms. This concept involves a documented understanding of all reactions and calculations leading to values for a formation property (standard Gibbs energy or enthalpy). A valid link consists of two parts: (a) the path of reactions and corrections and (b) the associated data, which are key data. Such a link differs from a bare "key" or "reference" datum in that it requires additional information. Some or all of its associated data may also be key data. In evaluating a reported thermodynamic datum, one should identify the links to the chemical elements, a process which can be time-consuming and which may lead to a dead end (an incomplete link). The use of two or more inconsistent

PINS chemical identification software

DOEpatents

Caffrey, Augustine J.; Krebs, Kennth M.

2004-09-14

An apparatus and method for identifying a chemical compound. A neutron source delivers neutrons into the chemical compound. The nuclei of chemical elements constituting the chemical compound emit gamma rays upon interaction with the neutrons. The gamma rays are characteristic of the chemical elements constituting the chemical compound. A spectrum of the gamma rays is generated having a detection count and an energy scale. The energy scale is calibrated by comparing peaks in the spectrum to energies of pre-selected chemical elements in the spectrum. A least-squares fit completes the calibration. The chemical elements constituting the chemical compound can be readily determined, which then allows for identification of the chemical compound.

The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer

PubMed Central

Zheng, Mingyue; Kong, Xiangyin; Huang, Tao; Cai, Yu-Dong

2015-01-01

Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer. PMID:26047514

Profiling Environmental Chemicals for Activity in the Antioxidant Response Element Signaling Pathway Using a High-Throughput Screening Approach

EPA Science Inventory

1 ABSTRACT 2 3 BACKGROUND: Oxidative stress has been implicated in the pathogenesis of a variety 4 of diseases ranging from cancer to neurodegeneration, highlighti.ng the need to identify 5 chemicals that can induce this effect. The antioxidant response element (ARE)...

On the occurrence of metallic character in the periodic table of the chemical elements.

PubMed

Hensel, Friedrich; Slocombe, Daniel R; Edwards, Peter P

2015-03-13

The classification of a chemical element as either 'metal' or 'non-metal' continues to form the basis of an instantly recognizable, universal representation of the periodic table (Mendeleeff D. 1905 The principles of chemistry, vol. II, p. 23; Poliakoff M. & Tang S. 2015 Phil. Trans. R. Soc. A 373: , 20140211). Here, we review major, pre-quantum-mechanical innovations (Goldhammer DA. 1913 Dispersion und Absorption des Lichtes; Herzfeld KF. 1927 Phys. Rev. 29: , 701-705) that allow an understanding of the metallic or non-metallic status of the chemical elements under both ambient and extreme conditions. A special emphasis will be placed on recent experimental advances that investigate how the electronic properties of chemical elements vary with temperature and density, and how this invariably relates to a changing status of the chemical elements. Thus, the prototypical non-metals, hydrogen and helium, becomes metallic at high densities; and the acknowledged metals, mercury, rubidium and caesium, transform into their non-metallic forms at low elemental densities. This reflects the fundamental fact that, at temperatures above the absolute zero of temperature, there is therefore no clear dividing line between metals and non-metals. Our conventional demarcation of chemical elements as metals or non-metals within the periodic table is of course governed by our experience of the nature of the elements under ambient conditions. Examination of these other situations helps us to examine the exact divisions of the chemical elements into metals and non-metals (Mendeleeff D. 1905 The principles of chemistry, vol. II, p. 23). © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Accelerator-based chemical and elemental analysis of atmospheric aerosols

NASA Astrophysics Data System (ADS)

Mentes, Besim

Aerosol particles have always been present in the atmosphere, arising from natural sources. But it was not until recently when emissions from anthropogenic (man made) sources began to dominate, that atmospheric aerosols came into focus and the aerosol science in the environmental perspective started to grow. These sources emit or produce particles with different elemental and chemical compositions, as well as different sizes of the individual aerosols. The effects of increased pollution of the atmosphere are many, and have different time scales. One of the effects known today is acid rain, which causes problems for vegetation. Pollution is also a direct human health risk, in many cities where traffic driven by combustion engines is forbidden at certain times when the meteorological conditions are unfavourable. Aerosols play an important role in the climate, and may have both direct and indirect effect which cause cooling of the planet surface, in contrast to the so-called greenhouse gases. During this work a technique for chemical and elemental analysis of atmospheric aerosols and an elemental analysis methodology for upper tropospheric aerosols have been developed. The elemental analysis is performed by the ion beam analysis (IBA) techniques, PIXE (elements heavier than Al). PESA (C, N and O), cPESA (H) and pNRA (Mg and Na). The chemical speciation of atmospheric aerosols is obtained by ion beam thermography (IBT). During thermography the sample temperature is stepwise increased and the IBA techniques are used to continuously monitor the elemental concentration. A thermogram is obtained for each element. The vaporisation of the compounds in the sample appears as a concentration decrease in the thermograms at characteristic vaporisation temperatures (CVTs). Different aspects of IBT have been examined in Paper I to IV. The features of IBT are: almost total elemental speciation of the aerosol mass, chemical speciation of the inorganic compounds, carbon content

Matching Element Symbols with State Abbreviations: A Fun Activity for Browsing the Periodic Table of Chemical Elements

ERIC Educational Resources Information Center

Woelk, Klaus

2009-01-01

A classroom activity is presented in which students are challenged to find matches between the United States two-letter postal abbreviations for states and chemical element symbols. The activity aims to lessen negative apprehensions students might have when the periodic table of the elements with its more than 100 combinations of letters is first…

Identifying elements of the health care environment that contribute to wayfinding.

PubMed

Pati, Debajyoti; Harvey, Thomas E; Willis, Douglas A; Pati, Sipra

2015-01-01

Identify aspects of the physical environment that inform wayfinding for visitors. Compare and contrast the identified elements in frequency of use. Gain an understanding of the role the different elements and attributes play in the wayfinding process. Wayfinding by patients and visitors is a documented problem in healthcare facilities. The few studies that have been conducted have identified some of the environmental elements that influence wayfinding. Moreover, literatures comparing different design strategies are absent. Currently there is limited knowledge to inform prioritization of strategies to optimize wayfinding within capital budget. A multi-method, non-experimental, qualitative, exploratory study design was adopted. The study was conducted in a large, acute care facility in Texas. Ten healthy adults in five age groups, representing both sexes, participated in the study as simulated visitors. Data collection included (a) verbal protocols during navigation; (b) questionnaire; and (c) verbal directions from hospital employees. Data were collected during Fall 2013. Physical design elements contributing to wayfinding include signs, architectural features, maps, interior elements (artwork, display boards, information counters, etc.), functional clusters, interior elements pairing, structural elements, and furniture. The information is used in different ways - some for primary navigational information, some for supporting navigational information, and some as familiarity markers. The physical environment has a critical role in aiding navigation in healthcare facilities. Architectural feature is the top contributor in the domain of architecture. Artwork (painting, sculpture, etc.) is the top contributor in the domain of interior design. © The Author(s) 2015.

Can Zebrafish be used to Identify Developmentally Neurotoxic Chemicals

EPA Science Inventory

Can Zebrafish be Used to Identify Developmentally Neurotoxic Chemicals? The U.S. Environmental Protection Agency is evaluating methods to screen and prioritize large numbers of chemicals for developmental neurotoxicity. We are exploring behavioral methods using zebrafish by desig...

Effective Message Elements for Disclosures about Chemicals in Cigarette Smoke.

PubMed

Kelley, Dannielle E; Boynton, Marcella H; Noar, Seth M; Morgan, Jennifer C; Mendel, Jennifer R; Ribisl, Kurt M; Stepanov, Irina; Nylander-French, Leena A; Brewer, Noel T

2017-05-17

Cigarette smoke contains at least 93 chemicals or "constituents" that the Food and Drug Administration (FDA) has identified as harmful or potentially harmful to human health. Our study sought to identify which constituent disclosure message elements are most effective in discouraging people from smoking. Three hundred eighty-eight current smokers ages 18 and older completed an online survey in February 2015. We randomized participants to respond to one of two sets of 13 toxic products that contain cigarette constituents and 25 health effects associated with cigarette constituents. Products that elicited the most discouragement were those with lower chances of exposure (e.g., explosives), followed by products with possible exposure (e.g., rat poison) and products with a high likelihood of exposure (e.g., floor cleaner). Awareness of toxic products that constituents are found in (p<0.001) and low exposure products (p<0.001) were associated with higher discouragement. Health effects that people had heard are caused by cigarette smoke constituents elicited higher discouragement from smoking cigarettes (p<0.001). Cancer was associated with higher discouragement relative to respiratory, cardiovascular, and reproductive health effects (all p<0.001). Cigarette smoke constituent messages may discourage smoking if they include information about carcinogenic health effects (e.g., mouth cancer, lung tumors) and low exposure toxic products (e.g. explosives, radioactive material) may be particularly effective message elements. Our study identified health effects and toxic products, especially cancers and rarely encountered toxic products, that may discourage smoking when included in disclosure messages. By constructing messages that communicate the harms associated with tobacco use by contextualizing those harms in terms of specific constituents, tobacco education messaging efforts may be increasingly successful. © The Author 2017. Published by Oxford University Press on behalf

Chemical Properties of Elements 99 and 100 [Einsteinium and Fermium

DOE R&D Accomplishments Database

Seaborg, G. T.; Thompson, S. G.; Harvey, B. G.; Choppin, G. R.

1954-07-23

A description of some of the chemical properties and of the methods used in the separations of elements 99 [Einsteinium] and 100 [Fermium] are given. The new elements exhibit the properties expected for the tenth and eleventh actinide elements. Attempts to produce an oxidation state greater than III of element 99 have been unsuccessful. In normal aqueous media only the III state of element 100 appears to exist. The relative spacings of the elution peaks of the new elements in some separations with ion exchange resin columns are the same as the relative spacings of the homologous lanthanide elements. The results of experiments involving cation exchange resins with very concentrated hydrochloric acid eluant show that the new elements, like the earlier actinides, are more strongly complexed than the lanthanides. The new elements also exist partially as anions in concentrated hydrochloric acid, as do earlier actinide elements, and they may be partially separated from each other by means of ion exchange resins. With some eluants interesting reversals of elution positions are observed in the region Bk-Cf-99-100, indicating complex ion formation involving unusual factors.

Chemical Abundances of Hydrostatic and Explosive Alpha-elements in Sagittarius Stream Stars

NASA Astrophysics Data System (ADS)

Carlin, Jeffrey L.; Sheffield, Allyson A.; Cunha, Katia; Smith, Verne V.

2018-05-01

We analyze chemical abundances of stars in the Sagittarius (Sgr) tidal stream using high-resolution Gemini+GRACES spectra of 42 members of the highest surface-brightness portions of both the trailing and leading arms. Targets were chosen using a 2MASS+WISE color–color selection, combined with the Large Sky Area Multi-Object Fibre Spectroscopic Telescope (LAMOST) radial velocities. In this Letter, we analyze [Fe/H] and α-elements produced by both hydrostatic (O, Mg) and explosive (Si, Ca, Ti) nucleosynthetic processes. The average [Fe/H] for our Sgr stream stars is lower than that for stars in the Sgr core, and stars in the trailing and leading arms show systematic differences in [Fe/H]. Both hydrostatic and explosive elements are depleted relative to Milky Way (MW) disk and halo stars, with a larger gap between the MW trend and Sgr stars for the hydrostatic elements. Chemical abundances of Sgr stream stars show similar patterns to those measured in the core of the Sgr dSph. We explore the ratio of hydrostatic to explosive α-elements [α h/ex] (which we refer to as the “HEx ratio”). Our observed HEx ratio trends for Sgr debris are deficient relative to MW stars. Via simple chemical evolution modeling, we show that these HEx ratio patterns are consistent with a Sgr IMF that lacks the most massive stars. This study provides a link between the chemical properties in the intact Sgr core and the significant portion of the Sgr system’s luminosity that is estimated to currently reside in the streams.

Are C1 chondrites chemically fractionated - A trace element study

NASA Technical Reports Server (NTRS)

Ebihara, M.; Wolf, R.; Anders, E.

1982-01-01

Six C1 chondrite samples and a C2 xenolith from the Plainview H5 chondrite were analyzed by radiochemical neutron activation for a large variety of elements, including rare earths. The sample processing is described, including the irradiation, chemical procedure, rare earths separation, counting techniques, radiochemical purity check, and chemical yields. The results of consistency checks on a number of elements are discussed. Abundances for siderophiles, volatiles, and rare earths are presented and discussed. Tests are presented for fractionation of rare earths and other refractories, compositional uniformity of C1's, and interelement correlations. There is no conclusive evidence for nebular fractionation affecting C1's. Three fractionation-prone rare earths have essentially the same relative abundances in C1's and all other chondrite classes, and hence are apparently not fractionated in C1's.

Identifying Candidate Chemical-Disease Linkages (Environmental and Epigenetic Determinants of IBD)

EPA Science Inventory

Presentation at meeting on Environmental and Epigenetic Determinants of IBD in New York, NY on identifying candidate chemical-disease linkages by using AOPs to identify molecular initiating events and using relevant high throughput assays to screen for candidate chemicals. This h...

Ambiguity of non-systematic chemical identifiers within and between small-molecule databases.

PubMed

Akhondi, Saber A; Muresan, Sorel; Williams, Antony J; Kors, Jan A

2015-01-01

A wide range of chemical compound databases are currently available for pharmaceutical research. To retrieve compound information, including structures, researchers can query these chemical databases using non-systematic identifiers. These are source-dependent identifiers (e.g., brand names, generic names), which are usually assigned to the compound at the point of registration. The correctness of non-systematic identifiers (i.e., whether an identifier matches the associated structure) can only be assessed manually, which is cumbersome, but it is possible to automatically check their ambiguity (i.e., whether an identifier matches more than one structure). In this study we have quantified the ambiguity of non-systematic identifiers within and between eight widely used chemical databases. We also studied the effect of chemical structure standardization on reducing the ambiguity of non-systematic identifiers. The ambiguity of non-systematic identifiers within databases varied from 0.1 to 15.2 % (median 2.5 %). Standardization reduced the ambiguity only to a small extent for most databases. A wide range of ambiguity existed for non-systematic identifiers that are shared between databases (17.7-60.2 %, median of 40.3 %). Removing stereochemistry information provided the largest reduction in ambiguity across databases (median reduction 13.7 percentage points). Ambiguity of non-systematic identifiers within chemical databases is generally low, but ambiguity of non-systematic identifiers that are shared between databases, is high. Chemical structure standardization reduces the ambiguity to a limited extent. Our findings can help to improve database integration, curation, and maintenance.

Genetic interpretations of elemental and chemical differences in a soil chronosequence, California

USGS Publications Warehouse

Harden, J.W.

1988-01-01

Soils developed on fluvial terraces in central California have similar parent materials, climatic settings, vegetation cover and slopes but range in age from 40,000 to 3,000,000 years. The soils have chemical compositions that change systematically with increasing age. Such chemical differentiation is most likely the result of long-term weathering and mineralogical transformations that occurred since deposition of terrace fills and stabilization of the geomorphic surfaces. The changes in composition with time closely mimic other studies on mineral weathering, in which alkali and alkali-earth elements are lost more rapidly than transitional elements. The relative rates of element loss were determined by changes in element ratios over time. Net losses and gains of elements in different size fractions were monitored by their concentrations relative to Zr, the most stable constituent. Both sand and finer size fractions have lost considerable amounts of Ca, Mg, Na and K. Aluminum appears to have been lost from the sand fraction and gained in the fine fraction over a 3-million-year-time-span. Although there is no evidence for losses of Fe and Ti from sands, there is a net influx of Fe and Ti into finer fractions, probably gained from undetectable yet significant weathering of sand grains. Etching of sand grains, clay mineralogy, and microprobe analyses also indicate that the soils have undergone these chemical transformations during their formation. Mineralogical analyses also mimic other studies on mineral weathering, in which the pyroxenes weather more rapidly than hornblende, which weathers more rapidly than sphene or zircon. ?? 1988.

Contents of chemical elements in stomach during prenatal development: different age-dependent dynamical changes and their significance

PubMed Central

Hou, Shao-Fan; Li, Hai-Rong; Wang, Li-Zhen; Li, De-Zhu; Yang, Lin-Sheng; Li, Chong-Zheng

2003-01-01

AIM: To observe dynamic of different chemical elements in stomach tissue during fetal development. METHODS: To determine contents of the 21 chemical elements in each stomach samples from fetus aging four to ten months. The content values were compared to those from adult tissue samples, and the values for each month group were also analyzed for dynamic changes. RESULTS: Three representations were found regarding the relationship between contents of the elements and ages of the fetus, including the positive correlative (K), reversely correlative (Na, Ca, P, Al, Cu, Zn, Fe, Mn, Cr, Sr, Li, Cd, Ba, Se) and irrelevant groups (Mg, Co, Ni, V, Pb, Ti). CONCLUSION: The chemical elements’ contents in stomach tissues were found to change dynamically with the stomach weights. The age-dependent representations for different chemical elements during the prenatal development may be of some significance for assessing development of fetal stomach and some chemical elements. The data may be helpful for the nutritional balance of fetus and mothers during prenatal development and even the perinatal stages. PMID:12717857

A quantitative metric to identify critical elements within seafood supply networks.

PubMed

Plagányi, Éva E; van Putten, Ingrid; Thébaud, Olivier; Hobday, Alistair J; Innes, James; Lim-Camacho, Lilly; Norman-López, Ana; Bustamante, Rodrigo H; Farmery, Anna; Fleming, Aysha; Frusher, Stewart; Green, Bridget; Hoshino, Eriko; Jennings, Sarah; Pecl, Gretta; Pascoe, Sean; Schrobback, Peggy; Thomas, Linda

2014-01-01

A theoretical basis is required for comparing key features and critical elements in wild fisheries and aquaculture supply chains under a changing climate. Here we develop a new quantitative metric that is analogous to indices used to analyse food-webs and identify key species. The Supply Chain Index (SCI) identifies critical elements as those elements with large throughput rates, as well as greater connectivity. The sum of the scores for a supply chain provides a single metric that roughly captures both the resilience and connectedness of a supply chain. Standardised scores can facilitate cross-comparisons both under current conditions as well as under a changing climate. Identification of key elements along the supply chain may assist in informing adaptation strategies to reduce anticipated future risks posed by climate change. The SCI also provides information on the relative stability of different supply chains based on whether there is a fairly even spread in the individual scores of the top few key elements, compared with a more critical dependence on a few key individual supply chain elements. We use as a case study the Australian southern rock lobster Jasus edwardsii fishery, which is challenged by a number of climate change drivers such as impacts on recruitment and growth due to changes in large-scale and local oceanographic features. The SCI identifies airports, processors and Chinese consumers as the key elements in the lobster supply chain that merit attention to enhance stability and potentially enable growth. We also apply the index to an additional four real-world Australian commercial fishery and two aquaculture industry supply chains to highlight the utility of a systematic method for describing supply chains. Overall, our simple methodological approach to empirically-based supply chain research provides an objective method for comparing the resilience of supply chains and highlighting components that may be critical.

A Quantitative Metric to Identify Critical Elements within Seafood Supply Networks

PubMed Central

Plagányi, Éva E.; van Putten, Ingrid; Thébaud, Olivier; Hobday, Alistair J.; Innes, James; Lim-Camacho, Lilly; Norman-López, Ana; Bustamante, Rodrigo H.; Farmery, Anna; Fleming, Aysha; Frusher, Stewart; Green, Bridget; Hoshino, Eriko; Jennings, Sarah; Pecl, Gretta; Pascoe, Sean; Schrobback, Peggy; Thomas, Linda

2014-01-01

A theoretical basis is required for comparing key features and critical elements in wild fisheries and aquaculture supply chains under a changing climate. Here we develop a new quantitative metric that is analogous to indices used to analyse food-webs and identify key species. The Supply Chain Index (SCI) identifies critical elements as those elements with large throughput rates, as well as greater connectivity. The sum of the scores for a supply chain provides a single metric that roughly captures both the resilience and connectedness of a supply chain. Standardised scores can facilitate cross-comparisons both under current conditions as well as under a changing climate. Identification of key elements along the supply chain may assist in informing adaptation strategies to reduce anticipated future risks posed by climate change. The SCI also provides information on the relative stability of different supply chains based on whether there is a fairly even spread in the individual scores of the top few key elements, compared with a more critical dependence on a few key individual supply chain elements. We use as a case study the Australian southern rock lobster Jasus edwardsii fishery, which is challenged by a number of climate change drivers such as impacts on recruitment and growth due to changes in large-scale and local oceanographic features. The SCI identifies airports, processors and Chinese consumers as the key elements in the lobster supply chain that merit attention to enhance stability and potentially enable growth. We also apply the index to an additional four real-world Australian commercial fishery and two aquaculture industry supply chains to highlight the utility of a systematic method for describing supply chains. Overall, our simple methodological approach to empirically-based supply chain research provides an objective method for comparing the resilience of supply chains and highlighting components that may be critical. PMID:24633147

The presence of vanadium in groundwater of southeastern extreme the pampean region Argentina Relationship with other chemical elements.

PubMed

Fiorentino, Carmen E; Paoloni, Juan D; Sequeira, Mario E; Arosteguy, Pedro

2007-08-15

Changes in the quality of groundwater resources are related to the presence and concentration of contaminants, especially trace elements such as arsenic, boron, fluoride and vanadium. Vanadium is a rare element naturally abundant, generally found in combination with other elements. Vanadium pentoxide is known to have aneugenic effects. Thus, a study was carried out to assess the presence of vanadium in the groundwater of the southeastern pampean region of Argentina, which constitutes the main water supply for the local population. Statistical and correlational analyses were applied to identify possible interrelationships between vanadium and another chemical elements. Vanadium was found in all groundwater samples. The minimum and maximum vanadium concentrations found were 0.05 mg/l and 2.47 mg/l, respectively. Vanadium is significantly correlated with other trace elements such as arsenic, fluoride and boron. The interrelationship between vanadium and the presence of volcanic glass in sediments is not significant as expected.

Abundance of Chemical Elements in RR Lyrae Variables and their Kinematic Parameters

NASA Astrophysics Data System (ADS)

Gozha, M. L.; Marsakov, V. A.; Koval', V. V.

2018-03-01

A catalog of the chemical and spatial-kinematic parameters of 415 RR Lyrae variables (Lyrids) in the galactic field is compiled. Spectroscopic determinations of the relative abundances of 13 chemical elements in 101 of the RR Lyrae variables are collected from 25 papers published between 1995 and 2017. The data from different sources are reduced to a single solar abundance scale. The mean weighted chemical abundances are calculated with coefficients inversely proportional to the reported errors. An analysis of the deviations in the published relative abundances in each star from the mean square values calculated from them reveals an absence of systematic biases among the results from the various articles. The rectangular coordinates of 407 of the RR Lyrae variables and the components of the three-dimensional (3D) velocities of 401 of the stars are calculated using data from several sources. The collected data on the abundances of chemical elements produced by various nuclear fusion processes for the RR Lyrae variables of the field, as well as the calculated 3D velocities, can be used for studying the evolution of the Galaxy.

Identifying new persistent and bioaccumulative organics among chemicals in commerce.

PubMed

Howard, Philip H; Muir, Derek C G

2010-04-01

The goal of this study was to identify commercial chemicals that might be persistent and bioaccumulative (P&B) and that were not being considered in current Great Lakes, North American, and Arctic contaminant measurement programs. We combined the Canadian Domestic Substance List (DSL), a list of 3059 substances of "unknown or variable composition complex reaction products and biological materials" (UVCBs), and the U.S. Environmental Protection Agency (U.S. EPA) Toxic Substances Control Act (TSCA) Inventory Update Rule (IUR) database for years 1986, 1990, 1994, 1998, 2002, and 2006 yielding a database of 22263 commercial chemicals. From that list, 610 chemicals were identified by estimates from U.S EPA EPISuite software and using expert judgment. This study has yielded some interesting and probable P&B chemicals that should be considered for further study. Recent studies, following up our initial reports and presentations on this work, have confirmed the presence of many of these chemicals in the environment.

Geothermal chemical elements in lichens of Yellowstone National Park

USGS Publications Warehouse

Bennett, J.P.; Wetmore, C.M.

1999-01-01

Geothermal features (e.g. geysers, fumaroles, vents, and springs) emit gaseous mercury, sulfur and heavy metals and therefore, are natural sources of these elements in the atmosphere. Field studies of heavy metals in lichens in Italy have detected elevated concentrations near geothermal power plants, and have determined that the origin of mercury is from soil degassing, not soil particles. We studied this phenomenon in a geothermal area without power plants to determine the natural levels of mercury and other elements. Two common and abundant species of epiphytic Lichens, Bryoria fremontii and Letharia vulpina, were collected at six localities in Yellowstone National Park, USA in 1998 and analyzed for 22 chemical elements. Thirteen elements differed significantly between species. Some elements were significantly higher in the southern part of the park, while others were higher in the north. Levels of most elements were comparable with those in other national parks and wilderness areas in the region, except Hg, which was unusually high. The most likely sources of this element are the geothermal features, which are known emitters of Hg. Multivariate analyses revealed strong positive associations of Hg with S, and negative associations with soil elements, providing strong evidence that the Hg in the lichens is the result of soil degassing of elemental Hg rather than particulate Hg directly from soils. Average Hg levels in the lichens were 140 p.p.b. in Bryoria and 110 p.p.b. in Letharia, but maxima were 291 and 243 p.p.b., respectively. In spite of this, both species were healthy and abundant throughout the park.

Determination of rare-earth elements in Luna 16 regolith sample by chemical spectral method

NASA Technical Reports Server (NTRS)

Stroganova, N. S.; Ryabukhin, V. A.; Laktinova, N. V.; Ageyeva, L. V.; Galkina, I. P.; Gatinskaya, N. G.; Yermakov, A. N.; Karyakin, A. V.

1974-01-01

An analysis was made of regolith from layer A of the Luna 16 sample for rare earth elements, by a chemical spectral method. Chemical and ion exchange concentrations were used to determine the content of 12 elements and Y at the level 0.001 to 0.0001 percent with 10 to 15 percent reproducibility of the emission determination. Results within the limits of reproducibility agree with data obtained by mass spectra, activation, and X-ray fluorescent methods.

Chemical element concentrations in four lichens on a transect entering Voyageurs National Park

USGS Publications Warehouse

Bennett, J.; Wetmore, C.M.

1997-01-01

A three factor transect study was conducted to test the hypothesis that chemical elements from air emissions in the vicinity of International Falls, Minnesota could not be detected in lichens along a 24 km transect reaching into Voyageurs National Park. It was hypothesized that element concentrations in lichens would decline exponentially downwind and would reach background values at a distance before the park boundary. Four species (Cladina rangiferina, Evernia mesomorpha, Hypogymnia physodes, and Parmelia sulcata) were sampled at ten sites for 3 years and 17 chemical elements were measured. The most notable result was a curvilinear geographic trend for many elements, which decreased from International Falls and then increased towards the park. This trend was significant for many anthropogenic elements, including S, Hg, Cd, and Cr, and for all four species. This type of distribution pattern has been observed in Hypogymnia physodes in other studies downwind of a steel mill and an oil refinery. Cladina, a ground-dwelling lichen, generally had lower tissue concentrations of the elements than the three epiphytic species. Tissue concentrations over the 3 years of sampling declined an average of 12%. Sufficient evidence exists to conclude that lichen tissue element concentrations in the vicinity of International Falls may be related to local air emissions, and that an exponential decline of element concentrations downwind of the sources does not apply to this situation.

Identifying the Essential Elements of Effective Science Communication: What Do the Experts Say?

ERIC Educational Resources Information Center

Bray, Belinda; France, Bev; Gilbert, John K.

2012-01-01

Experts in science communication were asked to identify the essential elements of a science communication course for post-graduate students. A Delphi methodology provided a framework for a research design that accessed their opinions and allowed them to contribute to, reflect on and identify 10 essential elements. There was a high level of…

The uses of synchrotron radiation sources for elemental and chemical microanalysis

USGS Publications Warehouse

Chen, J.R.; Chao, E.C.T.; Minkin, J.A.; Back, J.M.; Jones, K.W.; Rivers, M.L.; Sutton, S.R.

1990-01-01

Synchrotron radiation sources offer important features for the analysis of a material. Among these features is the ability to determine both the elemental composition of the material and the chemical state of its elements. For microscopic analysis synchrotron X-ray fluorescence (SXRF) microprobes now offer spatial resolutions of 10 ??m with minimum detection limits in the 1-10 ppm range depending on the nature of the sample and the synchrotron source used. This paper describes the properties of synchrotron radiation and their importance for elemental analysis, existing synchrotron facilities and those under construction that are optimum for SXRF microanalysis, and a number of applications including the high energy excitation of the K lines of heavy elements, microtomography, and XANES and EXAFS spectroscopies. ?? 1990.

Hair chemical element contents and influence factors of reproductive-age women in the West Ujimqin Banner, Inner Mongolia, China.

PubMed

Zhou, Shanshan; Yuan, Haodong; Ma, Xiaoling; Liu, Ying

2017-01-01

Women have an increased risk for chemical element deficiencies during reproductive age, particularly due to higher chemical element requirements and poor diets. Twenty-one chemical elements (Al, B, Ba, Ca, Cd, Co, Cr, Cu, Fe, Mg, Mn, Mo, Ni, Pb, Se, Si, Sn, Sr, Ti, V and Zn) in hair samples, which were collected from 71 non-pregnant and 236 pregnant women living in the West Ujimqin Banner, central Inner Mongolia, China, were measured, and the environment, dietary habits and ethnic group influence factors associated with the biomarker were analyzed. The results indicated that the average values of the chemical element contents from hair were greatly different compared to those from other areas, especially the Al, Cd, Pb, Ca and Sr contents. There was no significant difference among the three ethnicities for any element except Mn and Ti in non-pregnant women. Compared to non-pregnant women, in the first trimester group, the levels of nine chemical elements (Ba, Cd, Cu, Pb, Se, Si, Sn and Ti) decreased, while the others increased, and the contents of all of the chemical elements decreased in the second trimester group, while in the third trimester, there was a slight increase. Three chemical elements (Cu, Mn and Zn) displayed a synergistic correlation between each other in the third trimester group, which may protect the placenta from some oxidant damage. The high levels of Cd and Pb in hair likely originate from house renovations and traffic pollution. This study provided basic and useful information on the levels of chemical elements in reproductive-age women, and the results of this study are helpful to control the contents and improve the health of pregnant and non-pregnant women. Copyright © 2016 Elsevier Ltd. All rights reserved.

Identifying Metabolically Active Chemicals Using a Consensus ...

EPA Pesticide Factsheets

Endocrine disrupting chemicals (EDCs) are abundant throughout the environment and can alter neurodevelopment, behavior, and reproductive success of humans and other species by perturbing signaling pathways related to the estrogen receptor (ER). A recent study compared results across 18 ER-related assays in the ToxCast™ in vitro screening program to predict the likelihood of a chemical exhibiting in vivo estrogenic activity, with the purpose of eliminating chemicals that may produce a false signal by interfering with the technological attributes of an individual assay. However, flaws in in vitro assay design can also prevent induction of signal activity by EDCs. Another reason for not observing activity for some EDCs in in vitro assays is that metabolic activation is required to perturb ER-related pathways. In the current study, 1,024 chemicals were identified as lacking ER activity after establishing a consensus across each of the 18 ER-related in vitro assays, and nearly 2,000 primary and 3,700 secondary unique metabolites were predicted for these chemicals. The ER binding activity for each metabolite was then predicted using an existing ER activity quantitative structure activity relationship (QSAR) consensus model. Binding activity was predicted for 2-3% of the metabolites within each generation. Of the inactive parent compounds generating at least one metabolite predicted to have ER-binding activity, nearly 30% were found to have metabolites from both gene

Indexing molecules with chemical graph identifiers.

PubMed

Gregori-Puigjané, Elisabet; Garriga-Sust, Rut; Mestres, Jordi

2011-09-01

Fast and robust algorithms for indexing molecules have been historically considered strategic tools for the management and storage of large chemical libraries. This work introduces a modified and further extended version of the molecular equivalence number naming adaptation of the Morgan algorithm (J Chem Inf Comput Sci 2001, 41, 181-185) for the generation of a chemical graph identifier (CGI). This new version corrects for the collisions recognized in the original adaptation and includes the ability to deal with graph canonicalization, ensembles (salts), and isomerism (tautomerism, regioisomerism, optical isomerism, and geometrical isomerism) in a flexible manner. Validation of the current CGI implementation was performed on the open NCI database and the drug-like subset of the ZINC database containing 260,071 and 5,348,089 structures, respectively. The results were compared with those obtained with some of the most widely used indexing codes, such as the CACTVS hash code and the new InChIKey. The analyses emphasize the fact that compound management activities, like duplicate analysis of chemical libraries, are sensitive to the exact definition of compound uniqueness and thus still depend, to a minor extent, on the type and flexibility of the molecular index being used. Copyright © 2011 Wiley Periodicals, Inc.

Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data [plus Supplementary Electronic Annex 2

DOE PAGES

Wolery, Thomas J.; Jove Colon, Carlos F.

2016-09-26

Chemical thermodynamic data remain a keystone for geochemical modeling and reactive transport simulation as applied to an increasing number of applications in the earth sciences, as well as applications in other areas including metallurgy, material science, and industrial process design. The last century has seen the development of a large body of thermodynamic data and a number of major compilations. The past several decades have seen the development of thermodynamic databases in digital form designed to support computer calculations. However, problems with thermodynamic data appear to be persistent. One problem pertains to the use of inconsistent primary key reference data.more » Such data pertain to elemental reference forms and key, stoichiometrically simple chemical species including metal oxides, CO 2, water, and aqueous species such as Na + and Cl -. A consistent set of primary key data (standard Gibbs energies, standard enthalpies, and standard entropies for key chemical species) for 298.15K and 1 bar pressure is essential. Thermochemical convention is to define the standard Gibbs energy and the standard enthalpy of an individual chemical species in terms of formation from reference forms of the constituent chemical elements. We propose a formal concept of “links” to the elemental reference forms. This concept involves a documented understanding of all reactions and calculations leading to values for a formation property (standard Gibbs energy or enthalpy). A valid link consists of two parts: (a) the path of reactions and corrections and (b) the associated data, which are key data. Such a link differs from a bare “key” or “reference” datum in that it requires additional information. Some or all of its associated data may also be key data. In evaluating a reported thermodynamic datum, one should identify the links to the chemical elements, a process which can be time-consuming and which may lead to a dead end (an incomplete link). The use of

Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data [plus Supplementary Electronic Annex 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolery, Thomas J.; Jove Colon, Carlos F.

Chemical thermodynamic data remain a keystone for geochemical modeling and reactive transport simulation as applied to an increasing number of applications in the earth sciences, as well as applications in other areas including metallurgy, material science, and industrial process design. The last century has seen the development of a large body of thermodynamic data and a number of major compilations. The past several decades have seen the development of thermodynamic databases in digital form designed to support computer calculations. However, problems with thermodynamic data appear to be persistent. One problem pertains to the use of inconsistent primary key reference data.more » Such data pertain to elemental reference forms and key, stoichiometrically simple chemical species including metal oxides, CO 2, water, and aqueous species such as Na + and Cl -. A consistent set of primary key data (standard Gibbs energies, standard enthalpies, and standard entropies for key chemical species) for 298.15K and 1 bar pressure is essential. Thermochemical convention is to define the standard Gibbs energy and the standard enthalpy of an individual chemical species in terms of formation from reference forms of the constituent chemical elements. We propose a formal concept of “links” to the elemental reference forms. This concept involves a documented understanding of all reactions and calculations leading to values for a formation property (standard Gibbs energy or enthalpy). A valid link consists of two parts: (a) the path of reactions and corrections and (b) the associated data, which are key data. Such a link differs from a bare “key” or “reference” datum in that it requires additional information. Some or all of its associated data may also be key data. In evaluating a reported thermodynamic datum, one should identify the links to the chemical elements, a process which can be time-consuming and which may lead to a dead end (an incomplete link). The use of

Integrating genome-wide association study summaries and element-gene interaction datasets identified multiple associations between elements and complex diseases.

PubMed

He, Awen; Wang, Wenyu; Prakash, N Tejo; Tinkov, Alexey A; Skalny, Anatoly V; Wen, Yan; Hao, Jingcan; Guo, Xiong; Zhang, Feng

2018-03-01

Chemical elements are closely related to human health. Extensive genomic profile data of complex diseases offer us a good opportunity to systemically investigate the relationships between elements and complex diseases/traits. In this study, we applied gene set enrichment analysis (GSEA) approach to detect the associations between elements and complex diseases/traits though integrating element-gene interaction datasets and genome-wide association study (GWAS) data of complex diseases/traits. To illustrate the performance of GSEA, the element-gene interaction datasets of 24 elements were extracted from the comparative toxicogenomics database (CTD). GWAS summary datasets of 24 complex diseases or traits were downloaded from the dbGaP or GEFOS websites. We observed significant associations between 7 elements and 13 complex diseases or traits (all false discovery rate (FDR) < 0.05), including reported relationships such as aluminum vs. Alzheimer's disease (FDR = 0.042), calcium vs. bone mineral density (FDR = 0.031), magnesium vs. systemic lupus erythematosus (FDR = 0.012) as well as novel associations, such as nickel vs. hypertriglyceridemia (FDR = 0.002) and bipolar disorder (FDR = 0.027). Our study results are consistent with previous biological studies, supporting the good performance of GSEA. Our analyzing results based on GSEA framework provide novel clues for discovering causal relationships between elements and complex diseases. © 2017 WILEY PERIODICALS, INC.

Chemical properties of the transactinide elements studied inliquid phase with SISAK

DOE Office of Scientific and Technical Information (OSTI.GOV)

Omtvedt, J.P.; Alstad, J.; Bjornstad, T.

2007-05-01

This article starts with a review of the current SISAKliquid-liquid extraction system, as used after the physical preseparatorBGS at LBNL for chemical studies of transactinide elements. Emphasis willbe on new additions and developments. Then the possibilities offered bythe new TASCA separator at GSI and the use of actinide targets at bothGSI and LBNL are discussed with respect to future SISAK transactinideexperiments. Finally, current and future liquid-liquid extraction systemsfor studying elements Rf up to Hs are discussed.

A Method for Identifying Prevalent Chemical Combinations in the U.S. Population

PubMed Central

Wambaugh, John F.; Ring, Caroline L.; Tornero-Velez, Rogelio; Setzer, R. Woodrow

2017-01-01

Background: Through the food and water they ingest, the air they breathe, and the consumer products with which they interact at home and at work, humans are exposed to tens of thousands of chemicals, many of which have not been evaluated to determine their potential toxicities. Furthermore, while current chemical testing tends to focus on individual chemicals, the exposures that people actually experience involve mixtures of chemicals. Unfortunately, the number of mixtures that can be formed from the thousands of environmental chemicals is enormous, and testing all of them would be impossible. Objectives: We seek to develop and demonstrate a method for identifying those mixtures that are most prevalent in humans. Methods: We applied frequent itemset mining, a technique traditionally used for market basket analysis, to biomonitoring data from the 2009–2010 cycle of the continuous National Health and Nutrition Examination Survey (NHANES) to identify combinations of chemicals that frequently co-occur in people. Results: We identified 90 chemical combinations consisting of relatively few chemicals that occur in at least 30% of the U.S. population, as well as three supercombinations consisting of relatively many chemicals that occur in a small but nonnegligible proportion of the U.S. population. Conclusions: We demonstrated how FIM can be used in conjunction with biomonitoring data to narrow a large number of possible chemical combinations down to a smaller set of prevalent chemical combinations. https://doi.org/10.1289/EHP1265 PMID:28858827

Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability.

PubMed

Ring, Caroline L; Pearce, Robert G; Setzer, R Woodrow; Wetmore, Barbara A; Wambaugh, John F

2017-09-01

The thousands of chemicals present in the environment (USGAO, 2013) must be triaged to identify priority chemicals for human health risk research. Most chemicals have little of the toxicokinetic (TK) data that are necessary for relating exposures to tissue concentrations that are believed to be toxic. Ongoing efforts have collected limited, in vitro TK data for a few hundred chemicals. These data have been combined with biomonitoring data to estimate an approximate margin between potential hazard and exposure. The most "at risk" 95th percentile of adults have been identified from simulated populations that are generated either using standard "average" adult human parameters or very specific cohorts such as Northern Europeans. To better reflect the modern U.S. population, we developed a population simulation using physiologies based on distributions of demographic and anthropometric quantities from the most recent U.S. Centers for Disease Control and Prevention National Health and Nutrition Examination Survey (NHANES) data. This allowed incorporation of inter-individual variability, including variability across relevant demographic subgroups. Variability was analyzed with a Monte Carlo approach that accounted for the correlation structure in physiological parameters. To identify portions of the U.S. population that are more at risk for specific chemicals, physiologic variability was incorporated within an open-source high-throughput (HT) TK modeling framework. We prioritized 50 chemicals based on estimates of both potential hazard and exposure. Potential hazard was estimated from in vitro HT screening assays (i.e., the Tox21 and ToxCast programs). Bioactive in vitro concentrations were extrapolated to doses that produce equivalent concentrations in body tissues using a reverse dosimetry approach in which generic TK models are parameterized with: 1) chemical-specific parameters derived from in vitro measurements and predicted from chemical structure; and 2) with

Extraction of information from major element chemical analyses of lunar basalts

NASA Technical Reports Server (NTRS)

Butler, J. C.

1985-01-01

Major element chemical analyses often form the framework within which similarities and differences of analyzed specimens are noted and used to propose or devise models. When percentages are formed the ratios of pairs of components are preserved whereas many familiar statistical and geometrical descriptors are likely to exhibit major changes. This ratio preserving aspect forms the basis for a proposed framework. An analysis of compositional variability within the data set of 42 major element analyses of lunar reference samples was selected to investigate this proposal.

Chemical cues identify gender and individuality in Giant pandas (Ailuropoda melanoleuca).

PubMed

Hagey, Lee; MacDonald, Edith

2003-06-01

The Giant panda communicates with conspecifics by depositing a mixture of volatile compounds (called scent marks) on trees and rocks. Using mass spectrometry, we identified 951 chemical components from scent glands, urine, vaginal secretions, and scent marks made by pandas. The scent marks of the two genders contained a similar array of chemicals but varied in concentration; specifically, males possessed a significantly greater amount of short chain fatty acids (F(1, 29) = 18.4, P = 0.002). Using stepwise discriminate analysis on the relative proportions of a subset of these chemicals, it was possible to classify gender (94% for males and females) and individuality (81% for males and 91% for females) from scent marks. The power to identify individual males was reduced due to the relatedness of two subjects. By cracking the identity code of Giant panda communication, we show insights into how these animals can match individuals with unique chemical profiles. Since radiocollaring is currently banned in China, the techniques described in this paper give field biologists a new means to identify and track pandas in the wild.

Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens

PubMed Central

Lo, Yu-Chen; Senese, Silvia; Li, Chien-Ming; Hu, Qiyang; Huang, Yong; Damoiseaux, Robert; Torres, Jorge Z.

2015-01-01

Target identification is one of the most critical steps following cell-based phenotypic chemical screens aimed at identifying compounds with potential uses in cell biology and for developing novel disease therapies. Current in silico target identification methods, including chemical similarity database searches, are limited to single or sequential ligand analysis that have limited capabilities for accurate deconvolution of a large number of compounds with diverse chemical structures. Here, we present CSNAP (Chemical Similarity Network Analysis Pulldown), a new computational target identification method that utilizes chemical similarity networks for large-scale chemotype (consensus chemical pattern) recognition and drug target profiling. Our benchmark study showed that CSNAP can achieve an overall higher accuracy (>80%) of target prediction with respect to representative chemotypes in large (>200) compound sets, in comparison to the SEA approach (60–70%). Additionally, CSNAP is capable of integrating with biological knowledge-based databases (Uniprot, GO) and high-throughput biology platforms (proteomic, genetic, etc) for system-wise drug target validation. To demonstrate the utility of the CSNAP approach, we combined CSNAP's target prediction with experimental ligand evaluation to identify the major mitotic targets of hit compounds from a cell-based chemical screen and we highlight novel compounds targeting microtubules, an important cancer therapeutic target. The CSNAP method is freely available and can be accessed from the CSNAP web server (http://services.mbi.ucla.edu/CSNAP/). PMID:25826798

Identifying chemicals of concern in hydraulic fracturing fluids used for oil production.

PubMed

Stringfellow, William T; Camarillo, Mary Kay; Domen, Jeremy K; Sandelin, Whitney L; Varadharajan, Charuleka; Jordan, Preston D; Reagan, Matthew T; Cooley, Heather; Heberger, Matthew G; Birkholzer, Jens T

2017-01-01

Chemical additives used for hydraulic fracturing and matrix acidizing of oil reservoirs were reviewed and priority chemicals of concern needing further environmental risk assessment, treatment demonstration, or evaluation of occupational hazards were identified. We evaluated chemical additives used for well stimulation in California, the third largest oil producing state in the USA, by the mass and frequency of use, as well as toxicity. The most frequently used chemical additives in oil development were gelling agents, cross-linkers, breakers, clay control agents, iron and scale control agents, corrosion inhibitors, biocides, and various impurities and product stabilizers used as part of commercial mixtures. Hydrochloric and hydrofluoric acids, used for matrix acidizing and other purposes, were reported infrequently. A large number and mass of solvents and surface active agents were used, including quaternary ammonia compounds (QACs) and nonionic surfactants. Acute toxicity was evaluated and many chemicals with low hazard to mammals were identified as potentially hazardous to aquatic environments. Based on an analysis of quantities used, toxicity, and lack of adequate hazard evaluation, QACs, biocides, and corrosion inhibitors were identified as priority chemicals of concern that deserve further investigation. Copyright © 2016 Elsevier Ltd. All rights reserved.

The node-weighted Steiner tree approach to identify elements of cancer-related signaling pathways.

PubMed

Sun, Yahui; Ma, Chenkai; Halgamuge, Saman

2017-12-28

Cancer constitutes a momentous health burden in our society. Critical information on cancer may be hidden in its signaling pathways. However, even though a large amount of money has been spent on cancer research, some critical information on cancer-related signaling pathways still remains elusive. Hence, new works towards a complete understanding of cancer-related signaling pathways will greatly benefit the prevention, diagnosis, and treatment of cancer. We propose the node-weighted Steiner tree approach to identify important elements of cancer-related signaling pathways at the level of proteins. This new approach has advantages over previous approaches since it is fast in processing large protein-protein interaction networks. We apply this new approach to identify important elements of two well-known cancer-related signaling pathways: PI3K/Akt and MAPK. First, we generate a node-weighted protein-protein interaction network using protein and signaling pathway data. Second, we modify and use two preprocessing techniques and a state-of-the-art Steiner tree algorithm to identify a subnetwork in the generated network. Third, we propose two new metrics to select important elements from this subnetwork. On a commonly used personal computer, this new approach takes less than 2 s to identify the important elements of PI3K/Akt and MAPK signaling pathways in a large node-weighted protein-protein interaction network with 16,843 vertices and 1,736,922 edges. We further analyze and demonstrate the significance of these identified elements to cancer signal transduction by exploring previously reported experimental evidences. Our node-weighted Steiner tree approach is shown to be both fast and effective to identify important elements of cancer-related signaling pathways. Furthermore, it may provide new perspectives into the identification of signaling pathways for other human diseases.

Virtual Laboratory as an Element of Visualization When Teaching Chemical Contents in Science Class

ERIC Educational Resources Information Center

Herga, Nataša Rizman; Grmek, Milena Ivanuš; Dinevski, Dejan

2014-01-01

Using a variety of visualization tools for teaching and learning science and chemistry is necessary because pupils better understand chemical phenomena and formulate appropriate mental models. The purpose of the presented study was to determine the importance of a virtual laboratory as a visualization element when addressing chemical contents…

A simple and general method for solving detailed chemical evolution with delayed production of iron and other chemical elements

NASA Astrophysics Data System (ADS)

Vincenzo, F.; Matteucci, F.; Spitoni, E.

2017-04-01

We present a theoretical method for solving the chemical evolution of galaxies by assuming an instantaneous recycling approximation for chemical elements restored by massive stars and the delay time distribution formalism for delayed chemical enrichment by Type Ia Supernovae. The galaxy gas mass assembly history, together with the assumed stellar yields and initial mass function, represents the starting point of this method. We derive a simple and general equation, which closely relates the Laplace transforms of the galaxy gas accretion history and star formation history, which can be used to simplify the problem of retrieving these quantities in the galaxy evolution models assuming a linear Schmidt-Kennicutt law. We find that - once the galaxy star formation history has been reconstructed from our assumptions - the differential equation for the evolution of the chemical element X can be suitably solved with classical methods. We apply our model to reproduce the [O/Fe] and [Si/Fe] versus [Fe/H] chemical abundance patterns as observed at the solar neighbourhood by assuming a decaying exponential infall rate of gas and different delay time distributions for Type Ia Supernovae; we also explore the effect of assuming a non-linear Schmidt-Kennicutt law, with the index of the power law being k = 1.4. Although approximate, we conclude that our model with the single-degenerate scenario for Type Ia Supernovae provides the best agreement with the observed set of data. Our method can be used by other complementary galaxy stellar population synthesis models to predict also the chemical evolution of galaxies.

Elemental sulfur identified in urine of cheetah, Acinonyx jubatus.

PubMed

Burger, Ben V; Visser, Runine; Moses, Alvira; Le Roux, Maritha

2006-06-01

The urine of the cheetah, Acinonyx jubatus, is almost odorless, and probably for this reason, it has not attracted much attention from scientists. Using gas chromatography-mass spectrometry, we identified 27 and 37 constituents in the headspace vapor of the urine of male and female cheetah, respectively. These constituents, composed of hydrocarbons, short-chain ethers, aldehydes, saturated and unsaturated cyclic and acyclic ketones, 2-acetylfuran, dimethyl disulfide, dimethyl sulfone, phenol, myristic acid (tetradecanoic acid), urea, and elemental sulfur, are all present in the headspace vapor in very small quantities; dimethyl disulfide is present in such a low concentration that it cannot be detected by the human nose. This is only the second example of elemental sulfur being secreted or excreted by an animal. It is hypothesized that the conversion of sulfur-containing compounds in the cheetah's diet to elemental sulfur and to practically odorless dimethyl sulfone enables this carnivore to operate as if "invisible" to the olfactory world of its predators as well as its prey, which would increase its chances of survival.

Abnormal chemical element concentrations in lichens of Isle Royale National Park

USGS Publications Warehouse

Bennett, J.P.

1995-01-01

Lichens have been used for many years to monitor changes in deposited airborne chemical elements in many areas, but few studies have focused on areas suspected of experiencing slightly elevated pollution. Detection of subtle patterns of slightly elevated pollutants calls for developing several lines of evidence as opposed to single line studies used in heavily polluted areas. This study of two lichen species, Hypogymnia physodes and Evernia mesomorpha, in Isle Royale National Park, Michigan compares the concentrations and ranks of elements with the concentrations and ranks of the elements in the earth's crust, changes in element concentrations over a nine year period, and the geography of element concentrations in the park. S, Zn, Pb, Cd and Se were elevated in both species and higher in rank compared to the concentrations and ranks in the earth's crust. Toxic elements increased 123% in Hypogymnia and 62% in Evernia over 9 years, compared to increases of 45% and 59% for non-toxic elements in each species, respectively. Geographically, the lichens at certain localities with higher exposures experienced higher than average element concentrations. Finally, tissue concentrations of Mn, S and Se at some localities were above levels known to be either toxic or similar to those found in polluted areas. These four lines of evidence suggest that Isle Royale National Park is experiencing the onset of chronic air pollution stress from a number of sources.

Radial patterns of tree-ring chemical element concentration in two Appalachian hardwood stands

Treesearch

D.R. Dewalle; B.R. Swistock; W.E. Sharpe

1991-01-01

Radial patterns in tree-ring chemical element concentration in red oak (Quercus rubra L.) and black (Prunus serotina Ehrh.) were analyzed to infer past environmental changes at two mature Appalachian forest sites.

Inhomogeneous galactic chemical evolution of r-process elements

NASA Astrophysics Data System (ADS)

Wehmeyer, Benjamin

2018-01-01

Stars provide a fundamental contribution to the cosmic life cycle. Gas clouds form and collapse to stars, experiencing different evolutionary stages according to their properties like mass and metal content. Small stars like our Sun end their life as planetary nebulae, while more massive stars end their evolution with violent explosions like supernovae or hypernovae, leaving behind either a neutron star or a black hole. These compact objects may also merge, leading to a new ejection of material. Today the origin of the heaviest elements is still matter of debate. The relative contributions of the proposed sources of r-process elements (e.g., Supernovae, Neutron Star Mergers) in the early galaxy as well as in the Sun is one of the main uncertainties. We use the inhomogeneous chemical evolution tool “ICE” [1, 2] to study the role of some of the main parameters of the cosmic life cycle. With ICE's high resolution (≥ 20parsec/cell) runs, we are able to get converged simulations of the inhomogeneities in the early Galactic evolution stages, and of the observed scatter of r-process elements in metal-poor stars [3].[1] B. Wehmeyer, M. Pignatari, F.-K. Thielemann, 2015 MNRAS 452, 1970–1981[2] B. Wehmeyer, M. Pignatari, F.-K. Thielemann, 2016 AIPC 1743, 040009[3] I. Roederer et al., 2010 ApJ 724:975–993

Precise Chemical Analyses of Planetary Surfaces

NASA Technical Reports Server (NTRS)

Kring, David; Schweitzer, Jeffrey; Meyer, Charles; Trombka, Jacob; Freund, Friedemann; Economou, Thanasis; Yen, Albert; Kim, Soon Sam; Treiman, Allan H.; Blake, David;

Use of Major- and Minor-Element Mapping to Measure Chemical Variability in Diogenite Pyroxenes

NASA Astrophysics Data System (ADS)

Spilde, M. N.; Papike, J. J.

1993-07-01

Diogenite orthopyroxene grains have been shown to exhibit chemical variability within individual meteorite samples, e.g., the population groups reported by Hewins [1]. Our previous work [2] has shown a great deal of inter- and intragrain variability in OPX. The Garland diogenite, for example, appears to have two distinct populations of OPX, based on Cr/Al ratios. However, within individual crystals, excursions of Cr/Al ratios are present that may span a wide range within each population group. We are presently conducting SIMS analysis of OPX in diogenites and, therefore, the chemical variability of analyzed pyroxenes must be completely determined in order to find that portion of the crystal that most accurately records the igneous, rather than the metamorphic history. Optical analysis alone is not sufficient to categorize the pyroxene crystals. For example, numerous grains in EET 83246 appear to be zoned, with changes in interference colors toward the rims. However, EDS mapping indicates that the rims are chemically similar to the cores; the interference colors are interpreted to be due to some sort of grain abrasion process that occurred during brecciation. Backscattered image mapping at low magnification can identify intergrain variations and gross intragrain chemical variations, but this must be followed up with more detailed elemental mapping. Our microprobe employs a Link (Oxford) eXL II analyzer with full-stage automation, so that we can combine EDS maps of major elements with WDS maps of minor elements (Al, Ti, Mn, Cr). Large area maps (>1 mm) are produced using stage rastering to avoid defocusing of the WDS spectrometers. In a final step, quantitative elemental maps of target grains are produced, whereby the characteristic X-ray intensity collected at each map pixel is background suppressed and fitted against a standard intensity to yield an apparent concentration. Appropriate standards, close to the composition of the mapped grain, are used such that the

Identifying calcium sources at an acid deposition-impacted spruce forest: A strontium isotope, alkaline earth element multi-tracer approach

USGS Publications Warehouse

Bullen, T.D.; Bailey, S.W.

2005-01-01

Depletion of calcium from forest soils has important implications for forest productivity and health. Ca is available to fine feeder roots from a number of soil organic and mineral sources, but identifying the primary source or changes of sources in response to environmental change is problematic. We used strontium isotope and alkaline earth element concentration ratios of trees and soils to discern the record of Ca sources for red spruce at a base-poor, acid deposition-impacted watershed. We measured 87Sr/86Sr and chemical compositions of cross-sectional stemwood cores of red spruce, other spruce tissues and sequential extracts of co-located soil samples. 87Sr/86Sr and Sr/Ba ratios together provide a tracer of alkaline earth element sources that distinguishes the plant-available fraction of the shallow organic soils from those of deeper organic and mineral soils. Ca/Sr ratios proved less diagnostic, due to within-tree processes that fractionate these elements from each other. Over the growth period from 1870 to 1960, 87Sr/86Sr and Sr/Ba ratios of stemwood samples became progressively more variable and on average trended toward values that considered together are characteristic of the uppermost forest floor. In detail the stemwood chemistry revealed an episode of simultaneous enhanced uptake of all alkaline earth elements during the growth period from 1930 to 1960, coincident with reported local and regional increases in atmospheric inputs of inorganic acidity. We attribute the temporal trends in stemwood chemistry to progressive shallowing of the effective depth of alkaline earth element uptake by fine roots over this growth period, due to preferential concentration of fine roots in the upper forest floor coupled with reduced nutrient uptake by roots in the lower organic and upper mineral soils in response to acid-induced aluminum toxicity. Although both increased atmospheric deposition and selective weathering of Ca-rich minerals such as apatite provide possible

The Galactic Chemical Evolution of r-Process Elements by Neutron Star Mergers

NASA Astrophysics Data System (ADS)

Komiya, Yutaka; Shigeyama, Toshikazu

Neutron star mergers (NSMs) are prime candidate sources of r-process elements in the universe but it have been said that NSMs cannot reproduce r-process elements on extremely metal-poor (EMP) stars. We revisit this problem using a new chemical evolution model with merger trees of galaxies. We consider (1) propagation of NSM ejecta of kilo-parsec scale due to its very large velocity and (2) star formation efficiency depending on the galaxy mass. In our model with these ingredients, NSMs can successfully reproduce the abundance distribution of EMP stars.

Ionomic screening of field-grown soybeans identifies mutants with altered seed elemental composition

USDA-ARS?s Scientific Manuscript database

Soybean seeds contain high levels of mineral nutrients essential for human and animal nutrition. High throughput elemental profiling (ionomics) has identified mutants in model plant species grown in controlled environments. Here, we describe a method for identifying potential soybean ionomics mutant...

HISTORY OF THE ORIGIN OF THE CHEMICAL ELEMENTS AND THEIR DISCOVERIES.

DOE Office of Scientific and Technical Information (OSTI.GOV)

HOLDEN,N.E.

The origin of the chemical elements show a wide diversity with some of these elements having their origin in antiquity. Still other elements have been synthesized within the past fifty years via nuclear reactions on heavy elements, because these other elements are unstable and radioactive and do not exist in nature. The names of the elements come from many sources including mythological concepts or characters; places, areas or countries; properties of the element or its compounds, such as color, smell or its inability to combine; and the names of scientists. There are also some miscellaneous names as well as somemore » obscure names for particular elements. The claim of discovery of an element has varied over the centuries. Many claims, e.g., the discovery of certain rare earth elements of the lanthanide series, involved the discovery of a mineral ore from which an element was later extracted. The honor of discovery has often been accorded not to the person who first isolated the element but to the person who discovered the original mineral itself, even when the ore was impure and contained many elements. The reason for this is that in the case of these rare earth elements, the ''earth'' now refers to oxides of a metal not to the metal itself. This fact was not realized at the time of their discovery, until the English chemist Humphry Davy showed that earths were compounds of oxygen and metals in 1808. In the early discoveries, the atomic weight of an element and spectral analysis of the element were not available. Later both of these elemental properties would be required before discovery of the element would be accepted. In general, the requirements for discovery claims have tightened through the years and claims that were previously accepted would no longer meet the minimum constraints now imposed. There are cases where the honor of discovery is not given to the first person to actually discover the element but to the first person to claim the discovery in

Rare Earth and other Chemical Elements Accumulation in Vines of Fogo Island (Cape Verde)

NASA Astrophysics Data System (ADS)

Marques, Rosa; Prudêncio, Maria Isabel; Rocha, Fernando; Dias, Maria Isabel; Franco, Dulce

2017-04-01

The Fogo Island is the fourth bigger island of the Cape Verde (central Atlantic Ocean). This archipelago is located 570 kilometres off the coast of West Africa, and is characterized by a semi-arid climate. The volcanic soils of the caldera of this island, with an active volcanism during historical times, have been used for viticulture. The study of uptake of chemical elements by vines - absorption and translocation to grapes - grown in soils developed on alkaline pyroclasts is the main goal of this work. The concentrations of 27 chemical elements in bark, leafs and grapes of two vines, as well as in the corresponding soils (< 2 mm) were determined by instrumental neutron activation analysis. Irradiations of milled samples and standards were made in the core grid of the Portuguese Research Reactor (CTN/IST, Bobadela). The distribution patterns of the enrichment factors (EF) in the different parts of the plants are similar for the two sampling sites. Significant EF were found for the majority of the chemical elements studied, in the several parts of the plants, particularly in grapes where Cr, As, Sb and U are accumulated (EF > 50). The bioavailable fraction of Cr and As in these soils may be due to the low percentage of iron oxides (particularly in the form of nanoparticles), which play an important role in the retention of these elements. The factors responsible for the phytoavailability of Sb in soils and its uptake by plants it's still poorly known. Although the Sb concentrations in earth's crust are low, higher concentrations of this element in soils may be related with hydrothermal and volcanic processes. Also, the temperature may influence the accumulation of Sb in plants, with an increase of the Sb uptake by plants at higher temperatures, due to an increased desorption rate of Sb from soil particles. Concerning U, its mobility and dispersion in soils is controlled by its oxidation state, its adsorption capacity in clay minerals or iron oxides, and the ability

Simultaneous topographic and elemental chemical and magnetic contrast in scanning tunneling microscopy

DOEpatents

Rose, Volker; Preissner, Curt A; Hla, Saw-Wai; Wang, Kangkang; Rosenmann, Daniel

2014-09-30

A method and system for performing simultaneous topographic and elemental chemical and magnetic contrast analysis in a scanning, tunneling microscope. The method and system also includes nanofabricated coaxial multilayer tips with a nanoscale conducting apex and a programmable in-situ nanomanipulator to fabricate these tips and also to rotate tips controllably.

An ant colony optimization based algorithm for identifying gene regulatory elements.

PubMed

Liu, Wei; Chen, Hanwu; Chen, Ling

2013-08-01

It is one of the most important tasks in bioinformatics to identify the regulatory elements in gene sequences. Most of the existing algorithms for identifying regulatory elements are inclined to converge into a local optimum, and have high time complexity. Ant Colony Optimization (ACO) is a meta-heuristic method based on swarm intelligence and is derived from a model inspired by the collective foraging behavior of real ants. Taking advantage of the ACO in traits such as self-organization and robustness, this paper designs and implements an ACO based algorithm named ACRI (ant-colony-regulatory-identification) for identifying all possible binding sites of transcription factor from the upstream of co-expressed genes. To accelerate the ants' searching process, a strategy of local optimization is presented to adjust the ants' start positions on the searched sequences. By exploiting the powerful optimization ability of ACO, the algorithm ACRI can not only improve precision of the results, but also achieve a very high speed. Experimental results on real world datasets show that ACRI can outperform other traditional algorithms in the respects of speed and quality of solutions. Copyright © 2013 Elsevier Ltd. All rights reserved.

The fundamental nature of life as a chemical system: the part played by inorganic elements.

PubMed

Williams, Robert J P

2002-02-01

In this article we show why inorganic metal elements from the environment were an essential part of the origin of living aqueous systems of chemicals in flow. Unavoidably such systems have many closely fixed parameters, related to thermodynamic binding constants, for the interaction of the essential exchangeable inorganic metal elements with both inorganic and organic non-metal materials. The binding constants give rise to fixed free metal ion concentration profiles for different metal ions and ligands in the cytoplasm of all cells closely related to the Irving-Williams series. The amounts of bound elements depend on the organic molecules present as well as these free ion concentrations. This system must have predated coding which is probably only essential for reproductive life. Later evolution in changing chemical environments became based on the development of extra cytoplasmic compartments containing quite different energised free (and bound) element contents but in feed-back communication with the central primitive cytoplasm which changed little. Hence species multiplied late in evolution in large part due to the coupling with the altered inorganic environment.

Lab Astro and the Origins of the Chemical Elements

NASA Astrophysics Data System (ADS)

Lawler, James E.

2010-03-01

Interpretation of the spectra of metal-poor Galactic halo stars is dependent on AMO laboratory data [1,2]. Metal-poor Galactic halo stars were born when the Milky Way was young and they provide a record of the chemical evolution of the Galaxy. Elements heavier than iron are produced via r(apid)-process and s(low)-process n(eutron)-capture mechanisms. The s-process mechanism, which occurs in certain AGB stars, is relatively well understood. The explosive r-process is not well understood. The r-process n-capture mechanism was dominant early in the Galaxy's history [3]. New large aperture telescopes make it possible to record high-resolution spectra with high signal-to-noise ratios on a growing number of metal-poor stars. In addition to mapping the chemical evolution of the Galaxy, these studies are yielding an increasingly well-defined r-process elemental abundance pattern which constrains models of r-process nucleosynthesis [1]. The next phase of this ongoing research will address challenges in modeling stellar photospheres. Peculiar trends in abundances of specific Fe-group elements as a function of stellar age or metallicity may be due to limitations in traditional one dimensional (1d) local thermodynamic equilibrium (LTE) models of stellar photospheres or may be due to poorly understood nucleosynthesis [4]. Efforts are now underway to test the Saha or ionization equilibrium in a variety of stellar atmospheres for several Fe-group elements using the best available spectroscopic data for selected transitions. More comprehensive spectroscopic data of improved accuracy and accurate collisional data, especially for inelastic collisions of H atoms with metal atoms and ions, will be needed to fully develop 3d/non-LTE models of photospheres [e.g. 5]. [4pt] [1] C. Sneden, J. E. Lawler, J. J. Cowan, I. I. Ivans, and E. A. Den Hartog, Astrophys. J. Suppl. Ser. 182, 80-96 (2009). [0pt] [2] J. E. Lawler, C. Sneden, J. J. Cowan, I. I. Ivans, and E. A. Den Hartog, Astrophys. J

Identifying novel genes and chemicals related to nasopharyngeal cancer in a heterogeneous network.

PubMed

Li, Zhandong; An, Lifeng; Li, Hao; Wang, ShaoPeng; Zhou, You; Yuan, Fei; Li, Lin

2016-05-05

Nasopharyngeal cancer or nasopharyngeal carcinoma (NPC) is the most common cancer originating in the nasopharynx. The factors that induce nasopharyngeal cancer are still not clear. Additional information about the chemicals or genes related to nasopharyngeal cancer will promote a better understanding of the pathogenesis of this cancer and the factors that induce it. Thus, a computational method NPC-RGCP was proposed in this study to identify the possible relevant chemicals and genes based on the presently known chemicals and genes related to nasopharyngeal cancer. To extensively utilize the functional associations between proteins and chemicals, a heterogeneous network was constructed based on interactions of proteins and chemicals. The NPC-RGCP included two stages: the searching stage and the screening stage. The former stage is for finding new possible genes and chemicals in the heterogeneous network, while the latter stage is for screening and removing false discoveries and selecting the core genes and chemicals. As a result, five putative genes, CXCR3, IRF1, CDK1, GSTP1, and CDH2, and seven putative chemicals, iron, propionic acid, dimethyl sulfoxide, isopropanol, erythrose 4-phosphate, β-D-Fructose 6-phosphate, and flavin adenine dinucleotide, were identified by NPC-RGCP. Extensive analyses provided confirmation that the putative genes and chemicals have significant associations with nasopharyngeal cancer.

Identifying novel genes and chemicals related to nasopharyngeal cancer in a heterogeneous network

PubMed Central

Li, Zhandong; An, Lifeng; Li, Hao; Wang, ShaoPeng; Zhou, You; Yuan, Fei; Li, Lin

2016-01-01

Nasopharyngeal cancer or nasopharyngeal carcinoma (NPC) is the most common cancer originating in the nasopharynx. The factors that induce nasopharyngeal cancer are still not clear. Additional information about the chemicals or genes related to nasopharyngeal cancer will promote a better understanding of the pathogenesis of this cancer and the factors that induce it. Thus, a computational method NPC-RGCP was proposed in this study to identify the possible relevant chemicals and genes based on the presently known chemicals and genes related to nasopharyngeal cancer. To extensively utilize the functional associations between proteins and chemicals, a heterogeneous network was constructed based on interactions of proteins and chemicals. The NPC-RGCP included two stages: the searching stage and the screening stage. The former stage is for finding new possible genes and chemicals in the heterogeneous network, while the latter stage is for screening and removing false discoveries and selecting the core genes and chemicals. As a result, five putative genes, CXCR3, IRF1, CDK1, GSTP1, and CDH2, and seven putative chemicals, iron, propionic acid, dimethyl sulfoxide, isopropanol, erythrose 4-phosphate, β-D-Fructose 6-phosphate, and flavin adenine dinucleotide, were identified by NPC-RGCP. Extensive analyses provided confirmation that the putative genes and chemicals have significant associations with nasopharyngeal cancer. PMID:27149165

Identifying Students with Chemical Health Problems: Background and Simulation.

ERIC Educational Resources Information Center

Maine State Dept. of Educational and Cultural Services, Augusta. Div. of Alcohol and Drug Education Services.

This document discusses the role of school personnel in identifying and referring students with chemical health problems. It introduces the topic by stating that school personnel should be aware of how to deal with students who have violated school rules and those who are seeking help. It states that they should know how to draw the line…

A Framework for Identifying Selective Chemical Applications for IPM in Dryland Agriculture

PubMed Central

Umina, Paul A.; Jenkins, Sommer; McColl, Stuart; Arthur, Aston; Hoffmann, Ary A.

2015-01-01

Shifts to Integrated Pest Management (IPM) in agriculture are assisted by the identification of chemical applications that provide effective control of pests relative to broad-spectrum pesticides but have fewer negative effects on natural enemy (beneficial) groups that assist in pest control. Here, we outline a framework for identifying such applications and apply this framework to field trials involving the crop establishment phase of Australian dryland cropping systems. Several chemicals, which are not presently available to farmers in Australia, were identified as providing moderate levels of pest control and seedling protection, with the potential to be less harmful to beneficial groups including predatory mites, predatory beetles and ants. This framework highlights the challenges involved in chemically controlling pests while maintaining non-target populations when pest species are present at damaging levels. PMID:26694469

Screening of chemical compound libraries identified new anti-Toxoplasma gondii agents.

PubMed

Adeyemi, Oluyomi Stephen; Sugi, Tatsuki; Han, Yongmei; Kato, Kentaro

2018-02-01

Toxoplasma gondii is the etiological agent of toxoplasmosis, a common parasitic disease that affects nearly one-third of the human population. The primary infection can be asymptomatic in healthy individuals but may prove fatal in immunocompromised individuals. Available treatment options for toxoplasmosis patients are limited, underscoring the urgent need to identify and develop new therapies. Non-biased screening of libraries of chemical compounds including the repurposing of well-characterized compounds is emerging as viable approach to achieving this goal. In the present investigation, we screened libraries of natural product and FDA-approved compounds to identify those that inhibited T. gondii growth. We identified 32 new compounds that potently inhibit T. gondii growth. Our findings are new and promising, and further strengthen the prospects of drug repurposing as well as the screening of a wide range of chemical compounds as a viable source of alternative anti-parasitic therapeutic agents.

Open chromatin defined by DNaseI and FAIRE identifies regulatory elements that shape cell-type identity

PubMed Central

Song, Lingyun; Zhang, Zhancheng; Grasfeder, Linda L.; Boyle, Alan P.; Giresi, Paul G.; Lee, Bum-Kyu; Sheffield, Nathan C.; Gräf, Stefan; Huss, Mikael; Keefe, Damian; Liu, Zheng; London, Darin; McDaniell, Ryan M.; Shibata, Yoichiro; Showers, Kimberly A.; Simon, Jeremy M.; Vales, Teresa; Wang, Tianyuan; Winter, Deborah; Zhang, Zhuzhu; Clarke, Neil D.; Birney, Ewan; Iyer, Vishwanath R.; Crawford, Gregory E.; Lieb, Jason D.; Furey, Terrence S.

2011-01-01

The human body contains thousands of unique cell types, each with specialized functions. Cell identity is governed in large part by gene transcription programs, which are determined by regulatory elements encoded in DNA. To identify regulatory elements active in seven cell lines representative of diverse human cell types, we used DNase-seq and FAIRE-seq (Formaldehyde Assisted Isolation of Regulatory Elements) to map “open chromatin.” Over 870,000 DNaseI or FAIRE sites, which correspond tightly to nucleosome-depleted regions, were identified across the seven cell lines, covering nearly 9% of the genome. The combination of DNaseI and FAIRE is more effective than either assay alone in identifying likely regulatory elements, as judged by coincidence with transcription factor binding locations determined in the same cells. Open chromatin common to all seven cell types tended to be at or near transcription start sites and to be coincident with CTCF binding sites, while open chromatin sites found in only one cell type were typically located away from transcription start sites and contained DNA motifs recognized by regulators of cell-type identity. We show that open chromatin regions bound by CTCF are potent insulators. We identified clusters of open regulatory elements (COREs) that were physically near each other and whose appearance was coordinated among one or more cell types. Gene expression and RNA Pol II binding data support the hypothesis that COREs control gene activity required for the maintenance of cell-type identity. This publicly available atlas of regulatory elements may prove valuable in identifying noncoding DNA sequence variants that are causally linked to human disease. PMID:21750106

A chemical-spectrochemical method for the determination of rare earth elements and thorium in cerium minerals

USGS Publications Warehouse

Rose, H.J.; Murata, K.J.; Carron, M.K.

1954-01-01

In a combined chemical-spectrochemical procedure for quantitatively determining rare earth elements in cerium minerals, cerium is determined volumetrically, a total rare earths plus thoria precipitate is separated chemically, the ceria content of the precipitate is raised to 80??0 percent by adding pure ceria, and the resulting mixture is analyzed for lanthanum, praseodymium, neodymium, samarium, gadolinium, yttrium, and thorium spectrochemically by means of the d.c. carbon arc. Spectral lines of singly ionized cerium are used as internal standard lines in the spectrochemical determination which is patterned after Fassel's procedure [1]. Results of testing the method with synthetic mixtures of rare earths and with samples of chemically analyzed cerium minerals show that the coefficient of variation for a quadruplicate determination of any element does not exceed 5??0 (excepting yttrium at concentrations less than 1 percent) and that the method is free of serious systematic error. ?? 1954.

Versatile protein recognition by the encoded display of multiple chemical elements on a constant macrocyclic scaffold

NASA Astrophysics Data System (ADS)

Li, Yizhou; De Luca, Roberto; Cazzamalli, Samuele; Pretto, Francesca; Bajic, Davor; Scheuermann, Jörg; Neri, Dario

2018-03-01

In nature, specific antibodies can be generated as a result of an adaptive selection and expansion of lymphocytes with suitable protein binding properties. We attempted to mimic antibody-antigen recognition by displaying multiple chemical diversity elements on a defined macrocyclic scaffold. Encoding of the displayed combinations was achieved using distinctive DNA tags, resulting in a library size of 35,393,112. Specific binders could be isolated against a variety of proteins, including carbonic anhydrase IX, horseradish peroxidase, tankyrase 1, human serum albumin, alpha-1 acid glycoprotein, calmodulin, prostate-specific antigen and tumour necrosis factor. Similar to antibodies, the encoded display of multiple chemical elements on a constant scaffold enabled practical applications, such as fluorescence microscopy procedures or the selective in vivo delivery of payloads to tumours. Furthermore, the versatile structure of the scaffold facilitated the generation of protein-specific chemical probes, as illustrated by photo-crosslinking.

Abundances in 54 Chemical Elements in Przybylski's Star: HD 101065

NASA Astrophysics Data System (ADS)

Cowley, Charles R.; et al.

We report abundances from carbon through uranium, based on ESO observations: SN >= 200, resolution 80,000. Light elements, through the iron group scatter with respect to the standard abundance distribution (SAD). Carbon and oxygen are mildly depleted, as are iron and nickel, while titanium and cobalt are enhanced. Calcium is depleted, but silicon, sulfur, and scandium are solar. The heavier elements including some 4d and REE's are generally enhanced by 3 to 4 dex. This is not extreme for an Ap star. The truly bizarre appearance of the spectrum is an an ionization phenomena. Some hotter Ap stars have comparable lanthanide abundances, but their second spectra are weaker due to double ionization. Our adopted model has a Te of 6600K, and log(g) = 4.2. Because of the high line opacity, the photospheric pressure is low, and convection is ineffective. Chemical separation has distorted the third r-process peak only slightly. The overall coherence of the heavier elements is remarkable. Additional information is available from http://www.astro.lsa.umich.edu/users/cowley/przyb.html. This abstract is based on a paper submitted to MNRAS, by CRC, and coauthors: T. A. Ryabchikova (Moscow & Vienna), F. Kupka (Vienna), D. Bord (Michigan), G. Mathys (ESO), and W. P. Bidelman (Case-Western Reserve).

Origin of major element chemical trends in DSDP Leg 37 basalts, Mid-Atlantic Ridge

USGS Publications Warehouse

Byerly, G.R.; Wright, T.L.

1978-01-01

In this paper we summarize the major element chemical variation for basalts from the Deep Sea Drilling Project Leg 37 and relate it to stratigraphic position in each of five drilling sites. Least-squares techniques are successfully used to quantify the nature and extent of alteration in these basalts, and to correct the major element analysis back to a magmatic, or alteration-free, composition on the assumption that alteration takes place in two ways: (1) secondary minerals are introduced into veins and vesicles, and (2) CO2 and H2O react with components in the rock to form a simple alteration assemblage. A chemical stratigraphy is defined for these basalts by grouping lavas whose chemistries are related by low-pressure phenocryst-liquid differentiation as identified by least-squares calculation. Major chemical-stratigraphic units are as much as 200 m thick; correlations of these units can be made between the holes at site 332 (about 100 m apart), but not between the other sites. Compositions of parental magmas are calculated by extrapolating low-pressure variations to a constant value of 9% MgO. The differences in these extrapolated compositions reflect high-pressure processes, and suggest that clinopyroxene may be an important phase in either intermediate-level fractionation of basaltic liquids, or as a residual phase during the partial melting which produces these basaltic liquids. Several of the basaltic liquids calculated as parental to the Leg 37 basalts have CaO contents greater than 14% and indicate that the oceanic mantle is richer in CaO and Al2O3 than values used in pyrolite models for the upper mantle. A model for magma generation and eruption beneath the Mid-Atlantic Ridge embodies the following characteristics: 1. (1) Separate magma batches are generated in the mantle. 2. (2) Each of these may be erupted directly or stored at shallow depth where significant fractionation takes place. Common fractionation processes are inferred to be gravitative

The Open Cluster Chemical Abundances and Mapping (OCCAM) Survey: Optical Extension for Neutron Capture Elements

NASA Astrophysics Data System (ADS)

Melendez, Matthew; O'Connell, Julia; Frinchaboy, Peter M.; Donor, John; Cunha, Katia M. L.; Shetrone, Matthew D.; Majewski, Steven R.; Zasowski, Gail; Pinsonneault, Marc H.; Roman-Lopes, Alexandre; Stassun, Keivan G.; APOGEE Team

2017-01-01

The Open Cluster Chemical Abundance & Mapping (OCCAM) survey is a systematic survey of Galactic open clusters using data primarily from the SDSS-III/APOGEE-1 survey. However, neutron capture elements are very limited in the IR region covered by APOGEE. In an effort to fully study detailed Galactic chemical evolution, we are conducting a high resolution (R~60,000) spectroscopic abundance analysis of neutron capture elements for OCCAM clusters in the optical regime to complement the APOGEE results. As part of this effort, we present Ba II, La II, Ce II and Eu II results for a few open clusters without previous abundance measurements using data obtained at McDonald Observatory with the 2.1m Otto Struve telescope and Sandiford Echelle Spectrograph.This work is supported by an NSF AAG grant AST-1311835.

Chemical element accumulation in tree bark grown in volcanic soils of Cape Verde-a first biomonitoring of Fogo Island.

PubMed

Marques, Rosa; Prudêncio, Maria Isabel; Freitas, Maria do Carmo; Dias, Maria Isabel; Rocha, Fernando

2017-05-01

Barks from Prosopis juliflora (acacia) were collected in 12 sites of different geological contexts over the volcanic Fogo Island (Cape Verde). Elemental contents of Ba, Br, Co, Cr, Fe, K, Na, Zn and some rare earth elements (REE)-La, Ce, Sm, Eu, Tb, Yb, and Lu, were obtained for biological samples and topsoils by using k 0 -standardized and comparative method of instrumental neutron activation analysis (INAA), aiming the evaluation of chemical elements uptake by acacia bark. This first biomonitoring study of Fogo Island showed that, in general, significant accumulations of trace elements present in high amounts in these soils occur. This can be partially explained by the semi-arid climate with a consequent bioavailability of chemical elements when rain drops fall in this non-polluted environment. REE enrichment factors (EFs) increase with the decrease of ionic radius. Heavy REE (HREE) are significantly enriched in bark, which agrees with their release after the primary minerals breakdown and the formation of more soluble compounds than the other REE, and uptake by plants. Among the potential harmful chemical elements, Cr appears to be partially retained in nanoparticles of iron oxides. The high EFs found in tree barks of Fogo Island are certainly of geogenic origin rather than anthropogenic input since industry and the use of fertilizers is scarce.

Trace element zoning as a record of chemical disequilibrium during garnet growth

NASA Astrophysics Data System (ADS)

Chernoff, Carlotta B.; Carlson, William D.

1999-06-01

Trace element concentrations in pelitic garnets from the Picuris Range of New Mexico display precipitous changes coincident with abrupt variations in Ca concentration. These patterns probably arise from the transitory participation of different trace element enriched phases in the garnet forming reaction. Changes in the reactant and product assemblages occur at different times during the reaction history for crystals of different size, so they cannot be the result of any event affecting the entire rock, such as a change in pressure, temperature, or fluid composition. Instead, they reflect kinetic factors that cause Ca, Y, Yb, P, Ti, Sc, Zr, Hf, Sr, Na, and Li to fail to achieve chemical equilibrium during garnet growth. Caution is needed to avoid misinterpreting excursions in the concentration of these elements as event markers recording simultaneous rockwide changes in intensive parameters, when in fact they may record transient disequilibrium states that are local in scope, and not contemporaneous.

Chemical fractionation of siderophile elements in impactites from Australian meteorite craters

NASA Technical Reports Server (NTRS)

Attrep, A., Jr.; Orth, C. J.; Quintana, L. R.; Shoemaker, C. S.; Shoemaker, E. M.; Taylor, S. R.

1991-01-01

The abundance pattern of siderophile elements in terrestrial and lunar impact melt rocks was used extensively to infer the nature of the impacting projectiles. An implicit assumption made is that the siderophile abundance ratios of the projectiles are approximately preserved during mixing of the projectile constituents with the impact melts. As this mixture occurs during flow of strongly shocked materials at high temperatures, however there are grounds for suspecting that the underlying assumption is not always valid. In particular, fractionation of the melted and partly vaporized material of the projectile might be expected because of differences in volatility, solubility in silicate melts, and other characteristics of the constituent elements. Impactites from craters with associated meteorites offer special opportunities to test the assumptions on which projectile identifications are based and to study chemical fractionation that occurred during the impact process.

Atom-scale depth localization of biologically important chemical elements in molecular layers.

PubMed

Schneck, Emanuel; Scoppola, Ernesto; Drnec, Jakub; Mocuta, Cristian; Felici, Roberto; Novikov, Dmitri; Fragneto, Giovanna; Daillant, Jean

2016-08-23

In nature, biomolecules are often organized as functional thin layers in interfacial architectures, the most prominent examples being biological membranes. Biomolecular layers play also important roles in context with biotechnological surfaces, for instance, when they are the result of adsorption processes. For the understanding of many biological or biotechnologically relevant phenomena, detailed structural insight into the involved biomolecular layers is required. Here, we use standing-wave X-ray fluorescence (SWXF) to localize chemical elements in solid-supported lipid and protein layers with near-Ångstrom precision. The technique complements traditional specular reflectometry experiments that merely yield the layers' global density profiles. While earlier work mostly focused on relatively heavy elements, typically metal ions, we show that it is also possible to determine the position of the comparatively light elements S and P, which are found in the most abundant classes of biomolecules and are therefore particularly important. With that, we overcome the need of artificial heavy atom labels, the main obstacle to a broader application of high-resolution SWXF in the fields of biology and soft matter. This work may thus constitute the basis for the label-free, element-specific structural investigation of complex biomolecular layers and biological surfaces.

76 FR 63304 - Guidance for Industry on Incorporation of Physical-Chemical Identifiers Into Solid Oral Dosage...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-12

...] Guidance for Industry on Incorporation of Physical-Chemical Identifiers Into Solid Oral Dosage Form Drug... entitled ``Incorporation of Physical-Chemical Identifiers Into Solid Oral Dosage Form Drug Products for Anticounterfeiting.'' This guidance provides recommendations on design considerations for incorporating physical...

Comprehensive evaluation of disease- and trait-specific enrichment for eight functional elements among GWAS-identified variants.

PubMed

Markunas, Christina A; Johnson, Eric O; Hancock, Dana B

2017-07-01

Genome-wide association study (GWAS)-identified variants are enriched for functional elements. However, we have limited knowledge of how functional enrichment may differ by disease/trait and tissue type. We tested a broad set of eight functional elements for enrichment among GWAS-identified SNPs (p < 5×10 -8 ) from the NHGRI-EBI Catalog across seven disease/trait categories: cancer, cardiovascular disease, diabetes, autoimmune disease, psychiatric disease, neurological disease, and anthropometric traits. SNPs were annotated using HaploReg for the eight functional elements across any tissue: DNase sites, expression quantitative trait loci (eQTL), sequence conservation, enhancers, promoters, missense variants, sequence motifs, and protein binding sites. In addition, tissue-specific annotations were considered for brain vs. blood. Disease/trait SNPs were compared to a control set of 4809 SNPs matched to the GWAS SNPs (N = 1639) on allele frequency, gene density, distance to nearest gene, and linkage disequilibrium at ~3:1 ratio. Enrichment analyses were conducted using logistic regression, with Bonferroni correction. Overall, a significant enrichment was observed for all functional elements, except sequence motifs. Missense SNPs showed the strongest magnitude of enrichment. eQTLs were the only functional element significantly enriched across all diseases/traits. Magnitudes of enrichment were generally similar across diseases/traits, where enrichment was statistically significant. Blood vs. brain tissue effects on enrichment were dependent on disease/trait and functional element (e.g., cardiovascular disease: eQTLs P TissueDifference  = 1.28 × 10 -6 vs. enhancers P TissueDifference  = 0.94). Identifying disease/trait-relevant functional elements and tissue types could provide new insight into the underlying biology, by guiding a priori GWAS analyses (e.g., brain enhancer elements for psychiatric disease) or facilitating post hoc interpretation.

Chemical proteomics approaches for identifying the cellular targets of natural products

PubMed Central

Sieber, S. A.

2016-01-01

Covering: 2010 up to 2016 Deconvoluting the mode of action of natural products and drugs remains one of the biggest challenges in chemistry and biology today. Chemical proteomics is a growing area of chemical biology that seeks to design small molecule probes to understand protein function. In the context of natural products, chemical proteomics can be used to identify the protein binding partners or targets of small molecules in live cells. Here, we highlight recent examples of chemical probes based on natural products and their application for target identification. The review focuses on probes that can be covalently linked to their target proteins (either via intrinsic chemical reactivity or via the introduction of photocrosslinkers), and can be applied “in situ” – in living systems rather than cell lysates. We also focus here on strategies that employ a click reaction, the copper-catalysed azide–alkyne cycloaddition reaction (CuAAC), to allow minimal functionalisation of natural product scaffolds with an alkyne or azide tag. We also discuss ‘competitive mode’ approaches that screen for natural products that compete with a well-characterised chemical probe for binding to a particular set of protein targets. Fuelled by advances in mass spectrometry instrumentation and bioinformatics, many modern strategies are now embracing quantitative proteomics to help define the true interacting partners of probes, and we highlight the opportunities this rapidly evolving technology provides in chemical proteomics. Finally, some of the limitations and challenges of chemical proteomics approaches are discussed. PMID:27098809

Chemical proteomics approaches for identifying the cellular targets of natural products.

PubMed

Wright, M H; Sieber, S A

2016-05-04

Covering: 2010 up to 2016Deconvoluting the mode of action of natural products and drugs remains one of the biggest challenges in chemistry and biology today. Chemical proteomics is a growing area of chemical biology that seeks to design small molecule probes to understand protein function. In the context of natural products, chemical proteomics can be used to identify the protein binding partners or targets of small molecules in live cells. Here, we highlight recent examples of chemical probes based on natural products and their application for target identification. The review focuses on probes that can be covalently linked to their target proteins (either via intrinsic chemical reactivity or via the introduction of photocrosslinkers), and can be applied "in situ" - in living systems rather than cell lysates. We also focus here on strategies that employ a click reaction, the copper-catalysed azide-alkyne cycloaddition reaction (CuAAC), to allow minimal functionalisation of natural product scaffolds with an alkyne or azide tag. We also discuss 'competitive mode' approaches that screen for natural products that compete with a well-characterised chemical probe for binding to a particular set of protein targets. Fuelled by advances in mass spectrometry instrumentation and bioinformatics, many modern strategies are now embracing quantitative proteomics to help define the true interacting partners of probes, and we highlight the opportunities this rapidly evolving technology provides in chemical proteomics. Finally, some of the limitations and challenges of chemical proteomics approaches are discussed.

Chemistry of superheavy elements.

PubMed

Schädel, Matthias

2006-01-09

The number of chemical elements has increased considerably in the last few decades. Most excitingly, these heaviest, man-made elements at the far-end of the Periodic Table are located in the area of the long-awaited superheavy elements. While physical techniques currently play a leading role in these discoveries, the chemistry of superheavy elements is now beginning to be developed. Advanced and very sensitive techniques allow the chemical properties of these elusive elements to be probed. Often, less than ten short-lived atoms, chemically separated one-atom-at-a-time, provide crucial information on basic chemical properties. These results place the architecture of the far-end of the Periodic Table on the test bench and probe the increasingly strong relativistic effects that influence the chemical properties there. This review is focused mainly on the experimental work on superheavy element chemistry. It contains a short contribution on relativistic theory, and some important historical and nuclear aspects.

Distribution of chemical elements in calc-alkaline igneous rocks, soils, sediments and tailings deposits in northern central Chile

NASA Astrophysics Data System (ADS)

Oyarzún, Jorge; Oyarzun, Roberto; Lillo, Javier; Higueras, Pablo; Maturana, Hugo; Oyarzún, Ricardo

2016-08-01

This study follows the paths of 32 chemical elements in the arid to semi-arid realm of the western Andes, between 27° and 33° S, a region hosting important ore deposits and mining operations. The study encompasses igneous rocks, soils, river and stream sediments, and tailings deposits. The chemical elements have been grouped according to the Goldschmidt classification, and their concentrations in each compartment are confronted with their expected contents for different rock types based on geochemical affinities and the geologic and metallogenic setting. Also, the element behavior during rock weathering and fluvial transport is here interpreted in terms of the ionic potentials and solubility products. The results highlight the similarity between the chemical composition of the andesites and that of the average Continental Crust, except for the higher V and Mn contents of the former, and their depletion in Mg, Ni, and Cr. The geochemical behavior of the elements in the different compartments (rocks, soils, sediments and tailings) is highly consistent with the mobility expected from their ionic potentials, their sulfates and carbonates solubility products, and their affinities for Fe and Mn hydroxides. From an environmental perspective, the low solubility of Cu, Zn, and Pb due to climatic, chemical, and mineralogical factors reduces the pollution risks related to their high to extremely high contents in source materials (e.g., rocks, altered zones, tailings). Besides, the complex oxyanions of arsenic get bound by colloidal particles of Fe-hydroxides and oxyhydroxides (e.g., goethite), thus becoming incorporated to the fine sediment fraction in the stream sediments.

The General Laws of Chemical Elements Composition Dynamics in the Biosphere

NASA Astrophysics Data System (ADS)

Korzh, Vyacheslav D.

2013-04-01

The key point of investigation of the specificity of the biosphere elemental composition formation is determination of patterns of redistribution of elemental average concentrations among various phases, like solid - liquid ( the lithosphere - the hydrosphere), which occurs as a result of a global continuous processing of inert matter by living substances. Our task here is to investigate this process in the system "lithosphere - hydrosphere" in view of the integrated involvement of living material in it. This process is most active in biogeochemical barriers, i.e. in places of "the life condensation" and runs under a nonlinear regularity that has been unknown before. It is established that this process results in a general relative increase in concentrations of chemical elements in the solid phase in proportion as their prevalence in the environment is reduced. This process running in various natural systems has practically the same parameter of nonlinearity (v) approximately equal to 0.7. For proto-lithosphere -"living material" - soil v = 0.75. For river - "living material" - ocean v = 0.67. For the contemporary factual awareness level these estimations of nonlinearity indices are practically negligible. Hence, it is for the first time that the existence of a universal constant of nonlinearity of elemental composition evolution in the biosphere has been proved and its quantitative evaluation has been made. REFERENCES 1. Korzh V.D. 1974. Some general laws governing the turnover of substance within the ocean-atmosphere-continent-ocean cycle. // Journal de Recherches Atmospheriques. Vol. 8. P. 653-660. 2. Korzh V.D. 2008. The general laws in the formation of the elemental composition of the Hydrosphere and Biosphere.// J. Ecologica, Vol. XV, P. 13-21. 3. Korzh V.D. 2012. Determination of general laws of elemental composition in Hydrosphere // Water: chemistry & ecology, Journal of water science and its practical application. # 1, P.56-62.

Identifying Effective Treatments from a Brief Experimental Analysis: Using a Single-Case Design Elements To Aid Decision Making.

ERIC Educational Resources Information Center

Martens, Brian K.; Eckert, Tanya L.; Bradley, Tracy A.; Ardoin, Scott P.

1999-01-01

Discusses the benefits of using brief experimental analysis to aid in treatment selection, identifies the forms of treatment that are most appropriate for this type of analysis, and describes key design elements for comparing treatments. Presents a study demonstrating the use of these design elements to identify an effective intervention for two…

Stratospheric Sampling and In Situ Atmospheric Chemical Element Analysis During Meteor Showers: A Resource Study

NASA Technical Reports Server (NTRS)

Noever, David A.

2000-01-01

Resources studies for asteroidal mining evaluation have depended historically on remote sensing analysis for chemical elements. During the November 1998 Leonids meteor shower, a stratospheric balloon and various low-density capture media were used to sample fragments from Comet Tempel-Tuttle debris during a peak Earth crossing. The analysis not only demonstrates how potential sampling strategies may improve the projections for metals or rare elements in astromining, but also benchmarks materials during low temperature (-60 F), high dessication environments as seen during atmospheric exposure. The results indicate high aluminum, magnesium and iron content for various sampled particles recovered, but generalization to the sporadic meteors expected from asteroidal sources will require future improvements in larger sampling volumes before a broad-use strategy for chemical analysis can be described. A repeat of the experimental procedure is planned for the November 1999 Leonids' shower, and various improvements for atmospheric sampling will be discussed.

The ability of the Coincidence Doppler Broadening Spectroscopy to characterize polymers containing different chemical elements

NASA Astrophysics Data System (ADS)

Yang, J.; Zhang, T.; Han, L. A.; Cao, X. Z.; Yu, R. S.; Wang, B. Y.

2017-04-01

Hydrocarbon polymers, O-containing, F-containing and Cl-containing polymers are comprehensively studied by Coincidence Doppler Broadening Spectroscopy (CDBS). It is shown that for polymers with different chemical structure, CDBS results can effectively distinguish polar groups C dbnd O, Csbnd Cl, and Csbnd F. For polymers with similar chemical structure, the intensity of the element-specific peak in the CDBS ratio curve is dependent not only on the fraction of free positrons, but also on the content of characteristic atom in polymer repeated unit, and the polarity of the polymer molecule. For polymers containing several different polar groups, such as PCTFE (Csbnd F & Csbnd Cl) and PFA (Csbnd F & C dbnd O), whether the element-specific peak appears or not depends on the amount of the polar groups and its positron capture ability. This work may provide insights into potential applications of CDBS for studying complex polymer systems.

Atom-scale depth localization of biologically important chemical elements in molecular layers

PubMed Central

Schneck, Emanuel; Scoppola, Ernesto; Drnec, Jakub; Mocuta, Cristian; Felici, Roberto; Novikov, Dmitri; Fragneto, Giovanna; Daillant, Jean

2016-01-01

In nature, biomolecules are often organized as functional thin layers in interfacial architectures, the most prominent examples being biological membranes. Biomolecular layers play also important roles in context with biotechnological surfaces, for instance, when they are the result of adsorption processes. For the understanding of many biological or biotechnologically relevant phenomena, detailed structural insight into the involved biomolecular layers is required. Here, we use standing-wave X-ray fluorescence (SWXF) to localize chemical elements in solid-supported lipid and protein layers with near-Ångstrom precision. The technique complements traditional specular reflectometry experiments that merely yield the layers’ global density profiles. While earlier work mostly focused on relatively heavy elements, typically metal ions, we show that it is also possible to determine the position of the comparatively light elements S and P, which are found in the most abundant classes of biomolecules and are therefore particularly important. With that, we overcome the need of artificial heavy atom labels, the main obstacle to a broader application of high-resolution SWXF in the fields of biology and soft matter. This work may thus constitute the basis for the label-free, element-specific structural investigation of complex biomolecular layers and biological surfaces. PMID:27503887

Effects of chemical elements in the trophic levels of natural salt marshes.

PubMed

Kamiński, Piotr; Barczak, Tadeusz; Bennewicz, Janina; Jerzak, Leszek; Bogdzińska, Maria; Aleksandrowicz, Oleg; Koim-Puchowska, Beata; Szady-Grad, Małgorzata; Klawe, Jacek J; Woźniak, Alina

2016-06-01

The relationships between the bioaccumulation of Na, K, Ca, Mg, Fe, Zn, Cu, Mn, Co, Cd, and Pb, acidity (pH), salinity (Ec), and organic matter content within trophic levels (water-soil-plants-invertebrates) were studied in saline environments in Poland. Environments included sodium manufactures, wastes utilization areas, dumping grounds, and agriculture cultivation, where disturbed Ca, Mg, and Fe exist and the impact of Cd and Pb is high. We found Zn, Cu, Mn, Co, and Cd accumulation in the leaves of plants and in invertebrates. Our aim was to determine the selectivity exhibited by soil for nutrients and heavy metals and to estimate whether it is important in elucidating how these metals are available for plant/animal uptake in addition to their mobility and stability within soils. We examined four ecological plant groups: trees, shrubs, minor green plants, and water macrophytes. Among invertebrates, we sampled breastplates Malacostraca, small arachnids Arachnida, diplopods Diplopoda, small insects Insecta, and snails Gastropoda. A higher level of chemical elements was found in saline polluted areas (sodium manufactures and anthropogenic sites). Soil acidity and salinity determined the bioaccumulation of free radicals in the trophic levels measured. A pH decrease caused Zn and Cd to increase in sodium manufactures and an increase in Ca, Zn, Cu, Cd, and Pb in the anthropogenic sites. pH increase also caused Na, Mg, and Fe to increase in sodium manufactures and an increase in Na, Fe, Mn, and Co in the anthropogenic sites. There was a significant correlation between these chemical elements and Ec in soils. We found significant relationships between pH and Ec, which were positive in saline areas of sodium manufactures and negative in the anthropogenic and control sites. These dependencies testify that the measurement of the selectivity of cations and their fluctuation in soils provide essential information on the affinity and binding strength in these environments. The

An FTIR point sensor for identifying chemical WMD and hazardous materials

NASA Astrophysics Data System (ADS)

Norman, Mark L.; Gagnon, Aaron M.; Reffner, John A.; Schiering, David W.; Allen, Jeffrey D.

2004-03-01

A new point sensor for identifying chemical weapons of mass destruction and other hazardous materials based on Fourier transform infrared (FT-IR) spectroscopy is presented. The sensor is a portable, fully functional FT-IR system that features a miniaturized Michelson interferometer, an integrated diamond attenuated total reflection (ATR) sample interface, and an embedded on-board computer. Samples are identified by an automated search algorithm that compares their infrared spectra to digitized databases that include reference spectra of nerve and blister agents, toxic industrial chemicals, and other hazardous materials. The hardware and software are designed for use by technicians with no background in infrared spectroscopy. The unit, which is fully self-contained, can be hand-carried and used in a hot zone by personnel in Level A protective gear, and subsequently decontaminated by spraying or immersion. Wireless control by a remote computer is also possible. Details of the system design and performance, including results of field validation tests, are discussed.

A matter of definition--key elements identified in a discourse analysis of definitions of palliative care.

PubMed

Pastrana, T; Jünger, S; Ostgathe, C; Elsner, F; Radbruch, L

2008-04-01

For more than 30 years, the term "palliative care" has been used. From the outset, the term has undergone a series of transformations in its definitions and consequently in its tasks and goals. There remains a lack of consensus on a definition. The aim of this article is to analyse the definitions of palliative care in the specialist literature and to identify the key elements of palliative care using discourse analysis: a qualitative methodology. The literature search focused on definitions of the term 'palliative medicine' and 'palliative care' in the World Wide Web and medical reference books in English and German. A total of 37 English and 26 German definitions were identified and analysed. Our study confirmed the lack of a consistent meaning concerning the investigated terms, reflecting on-going discussion about the nature of the field among palliative care practitioners. Several common key elements were identified. Four main categories emerged from the discourse analysis of the definition of palliative care: target groups, structure, tasks and expertise. In addition, the theoretical principles and goals of palliative care were discussed and found to be key elements, with relief and prevention of suffering and improvement of quality of life as main goals. The identified key elements can contribute to the definition of the concept 'palliative care'. Our study confirms the importance of semantic and ethical influences on palliative care that should be considered in future research on semantics in different languages.

Light Chemical Elements in Stars: Mysteries and Unsolved Problems

NASA Astrophysics Data System (ADS)

Lyubimkov, L. S.

2018-06-01

The first eight elements of the periodic table are discussed: H, He, Li, Be, B, C, N, and O. They are referred to as key elements, given their important role in stellar evolution. It is noteworthy that all of them were initially synthesized in the Big Bang. The primordial abundances of these elements calculated using the Standard Model of the Big Bang (SMBB) are presented in this review. The good agreement between the SMBB and observations of the primordial abundances of the isotopes of hydrogen and helium, D, 3He, and 4He, is noted, but there is a difference of 0.5 dex for lithium (the isotope 7Li) between the SMBB and observations of old stars in the galactic halo that has not yet been explained. The abundances of light elements in stellar atmospheres depends on the initial rotation velocity, so the typical rotation velocities of young Main Sequence (MS) stars are examined. Since the data on the abundances of light elements in stars are very extensive, the main emphasis in this review is on several unsolved problems. The helium abundance He/H in early B-type of the MS stars shows an increment with age; in particular, for the most massive B stars with masses M = 12-19M ⊙, He/H increases by more than a factor of two toward the end of the MS. Theoretical models of stars with rotation cannot explain such a large increase in He/H. For early B- and late O-type MS stars that are components of close binary systems, He/H undergoes a sharp jump in the middle of the MS stage that is a mystery for the theory. The anomalous abundance of helium (and lithium) in the atmospheres of chemically peculiar stars (types He-s, He-w, HgMn, Ap, and Am) is explained in terms of the diffusion of atoms in surface layers of the stars, but this hypothesis cannot yet explain all the features of the chemical composition of these stars. The abundances of lithium, beryllium, and boron in FGK-dwarfs manifest a trend with decreasing effective temperature T eff as well as a dip at T eff 6600 K in

Chemical sensor

NASA Technical Reports Server (NTRS)

Rauh, R. David (Inventor)

1990-01-01

A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

Trace Element Composition of Phytoplankton Along the US GEOTRACES Pacific Zonal Transect: Comparing Single-Cell SXRF Quotas, Chemical Leaching, and Bulk Particle Digestion

NASA Astrophysics Data System (ADS)

Ohnemus, D.; Rauschenberg, S.; Twining, B. S.

2014-12-01

The elemental stoichiometries of phytoplankton are critical ecological and chemical parameters due to biological participation in, if not control over, the marine cycles of many GEOTRACES trace elements and isotopes (TEI). Elemental stoichiometries in euphotic zone protists can be used as end-members in biogeochemical models for bioactive elements (e.g. Fe, Si) and can provide insight into relationships found in the deep ocean and sediments (e.g. Cd:P, Zn:Si) due to broad and organism-specific geochemical links. Though sub-euphotic zone (e.g. hydrothermal, margin-sourced lateral) inputs and processes are also interesting aspects of these cycles, biological incorporation of TEIs in the euphotic zone is, fundamentally, where "the rubber meets the road." Using the 2013 Pacific GEOTRACES super stations and Peruvian coastal transect as ecological waypoints, we present and compare results from three methods for studying trace elemental composition of phytoplankton: single-cell synchrotron x-ray fluorescence (SXRF); weak chemical leaching (acetic acid/hydroxylamine); and total chemical digestion (HNO3/HCl/HF). This combination of techniques allows examination of taxon-specific trends in biotic stoichiometry across the Eastern Pacific and also provides traditional bulk chemical metrics for both biotic and bulk shallow particulate composition.

Identifying Alternative Conceptions of Chemical Kinetics among Secondary School and Undergraduate Students in Turkey

ERIC Educational Resources Information Center

Cakmakci, Gultekin

2010-01-01

This study identifies some alternative conceptions of chemical kinetics held by secondary school and undergraduate students (N = 191) in Turkey. Undergraduate students who participated are studying to become chemistry teachers when they graduate. Students' conceptions about chemical kinetics were elicited through a series of written tasks and…

Heaviest Nuclei: New Element with Atomic Number 117

ScienceCinema

Oganessian, Yuri

2018-01-24

One of the fundamental outcomes of the nuclear shell model is the prediction of the 'stability islands' in the domain of the hypothetical super heavy elements. The talk is devoted to the experimental verification of these predictions - the synthesis and study of both the decay and chemical properties of the super heavy elements. The discovery of a new chemical element with atomic number Z=117 is reported. The isotopes 293117 and 294117 were produced in fusion reactions between 48Ca and 249Bk. Decay chains involving 11 new nuclei were identified by means of the Dubna gas-filled recoil separator. The measured decay properties show a strong rise of stability for heavier isotopes with Z =111, validating the concept of the long sought island of enhanced stability for heaviest nuclei.

EDXRF quantitative analysis of chromophore chemical elements in corundum samples.

PubMed

Bonizzoni, L; Galli, A; Spinolo, G; Palanza, V

2009-12-01

Corundum is a crystalline form of aluminum oxide (Al(2)O(3)) and is one of the rock-forming minerals. When aluminum oxide is pure, the mineral is colorless, but the presence of trace amounts of other elements such as iron, titanium, and chromium in the crystal lattice gives the typical colors (including blue, red, violet, pink, green, yellow, orange, gray, white, colorless, and black) of gemstone varieties. The starting point for our work is the quantitative evaluation of the concentration of chromophore chemical elements with a precision as good as possible to match the data obtained by different techniques as such as optical absorption photoluminescence. The aim is to give an interpretation of the absorption bands present in the NIR and visible ranges which do not involve intervalence charge transfer transitions (Fe(2+) --> Fe(3+) and Fe(2+) --> Ti(4+)), commonly considered responsible of the important features of the blue sapphire absorption spectra. So, we developed a method to evaluate as accurately as possible the autoabsorption effects and the secondary excitation effects which frequently are sources of relevant errors in the quantitative EDXRF analysis.

Exposure assessment of a cyclist to particles and chemical elements.

PubMed

Ramos, C A; Silva, J R; Faria, T; Wolterbeek, T H; Almeida, S M

2017-05-01

Cycle paths can be used as a route for active transportation or simply to cycle for physical activity and leisure. However, exposure to air pollutants can be boosted while cycling, in urban environments, due to the proximity to vehicular emissions and elevated breathing rates. The objective of this work was to assess the exposure of a cyclist to particles and to chemical elements by combining real-time aerosol mass concentration reading equipment and biomonitoring techniques. PM 10 and PM 2.5 were measured on three cycle paths located in Lisbon, during weekdays and weekends and during rush hours and off-peak hours resulting in a total of 60 campaigns. Lichens were exposed along cycle paths for 3 months, and their element contents were measured by instrumental neutron activation analysis using the k 0 methodology (k 0 -INAA). Using a bicycle commute route of lower traffic intensity and avoiding rush hours or other times with elevated vehicular congestion facilitate a reduction in exposure to pollutants. The implementation of cycle paths in cities is important to stimulate physical activity and active transportation; however, it is essential to consider ambient air and pollutant sources to create safer infrastructures.

Background and Discussion Questions for Identifying Priority Chemicals for Review and Assessment

EPA Pesticide Factsheets

This discussion guide is intended to be used to help structure public input during the September 2011 webinar and discussion forum addressing the prioritization factors and data sources EPA plans to use to identify priority chemicals for review.

Transcriptomic analysis of rice aleurone cells identified a novel abscisic acid response element.

PubMed

Watanabe, Kenneth A; Homayouni, Arielle; Gu, Lingkun; Huang, Kuan-Ying; Ho, Tuan-Hua David; Shen, Qingxi J

2017-09-01

Seeds serve as a great model to study plant responses to drought stress, which is largely mediated by abscisic acid (ABA). The ABA responsive element (ABRE) is a key cis-regulatory element in ABA signalling. However, its consensus sequence (ACGTG(G/T)C) is present in the promoters of only about 40% of ABA-induced genes in rice aleurone cells, suggesting other ABREs may exist. To identify novel ABREs, RNA sequencing was performed on aleurone cells of rice seeds treated with 20 μM ABA. Gibbs sampling was used to identify enriched elements, and particle bombardment-mediated transient expression studies were performed to verify the function. Gene ontology analysis was performed to predict the roles of genes containing the novel ABREs. This study revealed 2443 ABA-inducible genes and a novel ABRE, designated as ABREN, which was experimentally verified to mediate ABA signalling in rice aleurone cells. Many of the ABREN-containing genes are predicted to be involved in stress responses and transcription. Analysis of other species suggests that the ABREN may be monocot specific. This study also revealed interesting expression patterns of genes involved in ABA metabolism and signalling. Collectively, this study advanced our understanding of diverse cis-regulatory sequences and the transcriptomes underlying ABA responses in rice aleurone cells. © 2017 John Wiley & Sons Ltd.

Identifying Common Practice Elements to Improve Social, Emotional, and Behavioral Outcomes of Young Children in Early Childhood Classrooms.

PubMed

McLeod, Bryce D; Sutherland, Kevin S; Martinez, Ruben G; Conroy, Maureen A; Snyder, Patricia A; Southam-Gerow, Michael A

2017-02-01

Educators are increasingly being encouraged to implement evidence-based interventions and practices to address the social, emotional, and behavioral needs of young children who exhibit problem behavior in early childhood settings. Given the nature of social-emotional learning during the early childhood years and the lack of a common set of core evidence-based practices within the early childhood literature, selection of instructional practices that foster positive social, emotional, and behavioral outcomes for children in early childhood settings can be difficult. The purpose of this paper is to report findings from a study designed to identify common practice elements found in comprehensive intervention models (i.e., manualized interventions that include a number of components) or discrete practices (i.e., a specific behavior or action) designed to target social, emotional, and behavioral learning of young children who exhibit problem behavior. We conducted a systematic review of early childhood classroom interventions that had been evaluated in randomized group designs, quasi-experimental designs, and single-case experimental designs. A total of 49 published articles were identified, and an iterative process was used to identify common practice elements. The practice elements were subsequently reviewed by experts in social-emotional and behavioral interventions for young children. Twenty-four practice elements were identified and classified into content (the goal or general principle that guides a practice element) and delivery (the way in which a teacher provides instruction to the child) categories. We discuss implications that the identification of these practice elements found in the early childhood literature has for efforts to implement models and practices.

Identifying new persistent and bioaccumulative organics among chemicals in commerce. III: byproducts, impurities, and transformation products.

PubMed

Howard, Philip H; Muir, Derek C G

2013-05-21

The goal of this series of studies was to identify commercial chemicals that might be persistent and bioaccumulative (PB) and that were not being considered in current wastewater and aquatic environmental measurement programs. In this study, we focus on chemicals that are not on commercial chemical lists such as U.S. EPA's Inventory Update Rule but may be found as byproducts or impurities in commercial chemicals or are likely transformation products from commercial chemical use. We evaluated the 610 chemicals from our earlier publication as well as high production volume chemicals and identified 320 chemicals (39 byproducts and impurities, and 281 transformation products) that could be potential PB chemicals. Four examples are discussed in detail; these chemicals had a fair amount of information on the commercial synthesis and byproducts and impurities that might be found in the commercial product. Unfortunately for many of the 610 chemicals, as well as the transformation products, little or no information was available. Use of computer-aided software to predict the transformation pathways in combination with the biodegradation rules of thumb and some basic organic chemistry has allowed 281 potential PB transformation products to be suggested for some of the 610 commercial chemicals; more PB transformation products were not selected since microbial degradation often results in less persistent and less bioaccumulative metabolites.

Gas phase chemical studies of superheavy elements using the Dubna gas-filled recoil separator - Stopping range determination

NASA Astrophysics Data System (ADS)

Wittwer, D.; Abdullin, F. Sh.; Aksenov, N. V.; Albin, Yu. V.; Bozhikov, G. A.; Dmitriev, S. N.; Dressler, R.; Eichler, R.; Gäggeler, H. W.; Henderson, R. A.; Hübener, S.; Kenneally, J. M.; Lebedev, V. Ya.; Lobanov, Yu. V.; Moody, K. J.; Oganessian, Yu. Ts.; Petrushkin, O. V.; Polyakov, A. N.; Piguet, D.; Rasmussen, P.; Sagaidak, R. N.; Serov, A.; Shirokovsky, I. V.; Shaughnessy, D. A.; Shishkin, S. V.; Sukhov, A. M.; Stoyer, M. A.; Stoyer, N. J.; Tereshatov, E. E.; Tsyganov, Yu. S.; Utyonkov, V. K.; Vostokin, G. K.; Wegrzecki, M.; Wilk, P. A.

2010-01-01

Currently, gas phase chemistry experiments with heaviest elements are usually performed with the gas-jet technique with the disadvantage that all reaction products are collected in a gas-filled thermalisation chamber adjacent to the target. The incorporation of a physical preseparation device between target and collection chamber opens up the perspective to perform new chemical studies. But this approach requires detailed knowledge of the stopping force (STF) of the heaviest elements in various materials. Measurements of the energy loss of mercury (Hg), radon (Rn), and nobelium (No) in Mylar and argon (Ar) were performed at low kinetic energies of around (40-270) keV per nucleon. The experimentally obtained values were compared with STF calculations of the commonly used program for calculating stopping and ranges of ions in matter (SRIM). Using the obtained data points an extrapolation of the STF up to element 114, eka-lead, in the same stopping media was carried out. These estimations were applied to design and to perform a first chemical experiment with a superheavy element behind a physical preseparator using the nuclear fusion reaction 244Pu( 48Ca; 3n) 289114. One decay chain assigned to an atom of 285112, the α-decay product of 289114, was observed.

Identifying Mental Health Elements among Technical University Students Using Fuzzy Delphi Method

NASA Astrophysics Data System (ADS)

Pua, P. K.; Lai, C. S.; Lee, M. F.

2017-08-01

Mental health is a part of our daily life that is often experienced. As a student, mental health issue often encounters a variety of difficult challenges at the higher education institution. A student with good mental health can handle and cope the normal stress of life, capable work productivity, enhance academic performance and able to make contribute to the community. However, rapidly transformation and changing of society have been impacted on students’ mental health, and it will be deteriorated and negatively impact on students if it absence of preventive controlled. This study aimed to identify the element of mental health among the technical university students. A total of 11 experts were selected to analyze the fuzziness consensus of experts. All collected data was analyzed by using the fuzzy Delphi method and the result shows that there are 4 elements of 8 elements that fulfill the requirement consensus of experts, which threshold value is equal and less than 0.2, the percentage of the expert group is more than 75%. The four elements were depression, anxiety, stress, and fear are often experienced by technical university students. In conclusion, precocious actions have to be taken by university and counseling center, parents and non-government organization in order to mitigate the mental health problem faced by students to improve the quality lifestyle students at the university.

Useful DNA polymorphisms are identified by snapback, a midrepetitive element in Tribolium castaneum.

PubMed

Stuart, J J; De Gortari, M J; Hall, P S; Maxwell, M E; Mocelin, G; Brown, S J; Muir, W M

1996-06-01

The red flour bettle, Tribolium castaneum, is both a pest of stored grain products and an important experimental organism. To improve its facility as a genetic model, we are developing DNA fingerprinting methods for this insect. A Tribolium DNA fragment, snapback-1 (SBI), identified among sequences that reassociate before a Cot of 0.03 mol.s/L, was found to produce a banding pattern in restriction endonuclease digested genomic DNA that is characteristic of a midrepetitive element. DNA fingerprints of individual beetles demonstrated that unvarying inherited DNA polymorphism is revealed, and that polymorphism is inherited in a dominant Mendelian fashion. Linkage between bands was minimal. The sequence of SBI was determined, and hybridization experiments indicated that SBI is a fragment of a larger midrepetitive element. Fingerprinting individuals with known inbreeding coefficients indicated that SBI loci have relatively high mutation rates. The possibility that SBI is a fragment of a transposable element is discussed.

The fate of minor alkali elements in the chemical evolution of salt lakes

PubMed Central

2011-01-01

Alkaline earth elements and alkali metals (Mg, Ca, Na and K) play an important role in the geochemical evolution of saline lakes as the final brine type is defined by the abundance of these elements. The role of major ions in brine evolution has been studied in great detail, but little has been done to investigate the behaviour of minor alkali elements in these systems despite their similar chemical affinities to the major cations. We have examined three major anionic brine types, chloride, sulphate, and bicarbonate-carbonate, in fifteen lakes in North America and Antarctica to determine the geochemical behaviour of lithium, rubidium, strontium, and barium. Lithium and rubidium are largely conservative in all water types, and their concentrations are the result of long-term solute input and concentration through evaporation and/or sublimation. Strontium and barium behaviours vary with anionic brine type. Strontium can be removed in sulphate and carbonate-rich lakes by the precipitation of carbonate minerals. Barium may be removed in chloride and sulphate brines by either the precipitation of barite and perhaps biological uptake. PMID:21992434

Combining functional genomics and chemical biology to identify targets of bioactive compounds.

PubMed

Ho, Cheuk Hei; Piotrowski, Jeff; Dixon, Scott J; Baryshnikova, Anastasia; Costanzo, Michael; Boone, Charles

2011-02-01

Genome sequencing projects have revealed thousands of suspected genes, challenging researchers to develop efficient large-scale functional analysis methodologies. Determining the function of a gene product generally requires a means to alter its function. Genetically tractable model organisms have been widely exploited for the isolation and characterization of activating and inactivating mutations in genes encoding proteins of interest. Chemical genetics represents a complementary approach involving the use of small molecules capable of either inactivating or activating their targets. Saccharomyces cerevisiae has been an important test bed for the development and application of chemical genomic assays aimed at identifying targets and modes of action of known and uncharacterized compounds. Here we review yeast chemical genomic assays strategies for drug target identification. Copyright © 2010 Elsevier Ltd. All rights reserved.

Integration of Experiments across Diverse Environments Identifies the Genetic Determinants of Variation in Sorghum bicolor Seed Element Composition.

PubMed

Shakoor, Nadia; Ziegler, Greg; Dilkes, Brian P; Brenton, Zachary; Boyles, Richard; Connolly, Erin L; Kresovich, Stephen; Baxter, Ivan

2016-04-01

Seedling establishment and seed nutritional quality require the sequestration of sufficient element nutrients. The identification of genes and alleles that modify element content in the grains of cereals, including sorghum (Sorghum bicolor), is fundamental to developing breeding and selection methods aimed at increasing bioavailable element content and improving crop growth. We have developed a high-throughput work flow for the simultaneous measurement of multiple elements in sorghum seeds. We measured seed element levels in the genotyped Sorghum Association Panel, representing all major cultivated sorghum races from diverse geographic and climatic regions, and mapped alleles contributing to seed element variation across three environments by genome-wide association. We observed significant phenotypic and genetic correlation between several elements across multiple years and diverse environments. The power of combining high-precision measurements with genome-wide association was demonstrated by implementing rank transformation and a multilocus mixed model to map alleles controlling 20 element traits, identifying 255 loci affecting the sorghum seed ionome. Sequence similarity to genes characterized in previous studies identified likely causative genes for the accumulation of zinc, manganese, nickel, calcium, and cadmium in sorghum seeds. In addition to strong candidates for these five elements, we provide a list of candidate loci for several other elements. Our approach enabled the identification of single-nucleotide polymorphisms in strong linkage disequilibrium with causative polymorphisms that can be evaluated in targeted selection strategies for plant breeding and improvement. © 2016 American Society of Plant Biologists. All Rights Reserved.

Assessment of chemical element migration in soil-plant complex of Urov endemic localities of East Transbaikalia

NASA Astrophysics Data System (ADS)

Vadim V., Ermakov; Valentina, Danilova; Sabsbakhor, Khushvakhtova; Aklexander, Degtyarev; Sergey, Tyutikov; Victor, Berezkin; Elena, Karpova

2014-05-01

The comparative evaluation of the levels of biologically active chemical elements and their migration in the soil-plant complex of two Urov endemic locations in East Transbaikalia (Zolinsky and Uryumkansky) and background areas (Western Baikal region and the western area of the Trans-Baikal region) was conducted. The predominant soil-forming rocks in East Transbaikalia are weathering products of Proterozoic carbonated granitoids PR2. The surface rocks consist from granite, granodiorite, diorite quartz diorite, gabbro, norite, gabbro-norite and other. Soils - mountain and cryogenic meadow forests, mountain permafrost taiga podzolised, meadow alluvial, peaty meadow [2]. The paludification of narrow valleys and thermokarst phenomena are typical in Urov endemic localities. It reflects on the spotted of soil and differentiation of chemical composition of soils and plants. Most of the chemical elements in soils were determined by means of X-ray fluorescence, and trace elements in soils and plants - by atomic absorption spectrometry. The selenium content was measured by spectrofluorimetric method [3]. The research processed by methods of variation statistics. It was found that the soils of two locations of the Urov subregion of the biosphere were more enriched with iron, barium, calcium, uranium, thorium, phosphorus, and to a lesser extent strontium compared to background soils. The ratio of Ca: P was significantly higher in the soil of background areas, and Ca: Sr, on the contrary, in endemic soils. In assessing the migration of trace elements in soil-plant complex by means of the total content of trace elements and biological absorption coefficient found a marked accumulation by plants manganese, chromium, arsenic and weak plants accumulation of cobalt and nickel. Soil landscape is not much different in content of selenium, but its migration in plants was reduced in places of spread of Urov disease [1]. The concentrators of cadmium (leaves of different species of willow

Complete genome sequence of a novel extrachromosomal virus-like element identified in planarian Girardia tigrina

PubMed Central

Rebrikov, Denis V; Bulina, Maria E; Bogdanova, Ekaterina A; Vagner, Loura L; Lukyanov, Sergey A

2002-01-01

Background Freshwater planarians are widely used as models for investigation of pattern formation and studies on genetic variation in populations. Despite extensive information on the biology and genetics of planaria, the occurrence and distribution of viruses in these animals remains an unexplored area of research. Results Using a combination of Suppression Subtractive Hybridization (SSH) and Mirror Orientation Selection (MOS), we compared the genomes of two strains of freshwater planarian, Girardia tigrina. The novel extrachromosomal DNA-containing virus-like element denoted PEVE (Planarian Extrachromosomal Virus-like Element) was identified in one planarian strain. The PEVE genome (about 7.5 kb) consists of two unique regions (Ul and Us) flanked by inverted repeats. Sequence analyses reveal that PEVE comprises two helicase-like sequences in the genome, of which the first is a homolog of a circoviral replication initiator protein (Rep), and the second is similar to the papillomavirus E1 helicase domain. PEVE genome exists in at least two variant forms with different arrangements of single-stranded and double-stranded DNA stretches that correspond to the Us and Ul regions. Using PCR analysis and whole-mount in situ hybridization, we characterized PEVE distribution and expression in the planarian body. Conclusions PEVE is the first viral element identified in free-living flatworms. This element differs from all known viruses and viral elements, and comprises two potential helicases that are homologous to proteins from distant viral phyla. PEVE is unevenly distributed in the worm body, and is detected in specific parenchyma cells. PMID:12065025

A Game-Based Approach to Learning the Idea of Chemical Elements and Their Periodic Classification

ERIC Educational Resources Information Center

Franco-Mariscal, Antonio Joaquín; Oliva-Martínez, José María; Blanco-López, Ángel; España-Ramos, Enrique

2016-01-01

In this paper, the characteristics and results of a teaching unit based on the use of educational games to learn the idea of chemical elements and their periodic classification in secondary education are analyzed. The method is aimed at Spanish students aged 15-16 and consists of 24 1-h sessions. The results obtained on implementing the teaching…

Chemical fractionation of radionuclides and stable elements in aquatic plants of the Yenisei River.

PubMed

Bolsunovsky, Alexander

2011-09-01

The Yenisei River is contaminated with artificial radionuclides released by one of the Russian nuclear plants. The aquatic plants growing in the radioactively contaminated parts of the river contain artificial radionuclides. The aim of the study was to investigate accumulation of artificial radionuclides and stable elements by submerged plants of the Yenisei River and estimate the strength of their binding to plant biomass by using a new sequential extraction scheme. The aquatic plants sampled were: Potamogeton lucens, Fontinalis antipyretica, and Batrachium kauffmanii. Gamma-spectrometric analysis of the samples of aquatic plants has revealed more than 20 radionuclides. We also investigated the chemical fractionation of radionuclides and stable elements in the biomass and rated radionuclides and stable elements based on their distribution in biomass. The greatest number of radionuclides strongly bound to biomass cell structures was found for Potamogeton lucens and the smallest for Batrachium kauffmanii. For Fontinalis antipyretica, the number of distribution patterns that were similar for both radioactive isotopes and their stable counterparts was greater than for the other studied species. The transuranic elements (239)Np and (241)Am were found in the intracellular fraction of the biomass, and this suggested their active accumulation by the plants.

Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules

NASA Astrophysics Data System (ADS)

Zhang, Linda Yu; Friesner, Richard A.; Murphy, Robert B.

1997-07-01

Using a diabatic state formalism and pseudospectral numerical methods, we have developed an efficient ab initio quantum chemical approach to the calculation of electron transfer matrix elements for large molecules. The theory is developed at the Hartree-Fock level and validated by comparison with results in the literature for small systems. As an example of the power of the method, we calculate the electronic coupling between two bacteriochlorophyll molecules in various intermolecular geometries. Only a single self-consistent field (SCF) calculation on each of the monomers is needed to generate coupling matrix elements for all of the molecular pairs. The largest calculations performed, utilizing 1778 basis functions, required ˜14 h on an IBM 390 workstation. This is considerably less cpu time than would be necessitated with a supermolecule adiabatic state calculation and a conventional electronic structure code.

Identifying Metabolically Active Chemicals Using a Consensus ...

EPA Pesticide Factsheets

Traditional toxicity testing provides insight into the mechanisms underlying toxicological responses but requires a high investment in a large number of resources. The new paradigm of testing approaches involves rapid screening studies able to evaluate thousands of chemicals across hundreds of biological targets through use of in vitro assays. Endocrine disrupting chemicals (EDCs) are of concern due to their ability to alter neurodevelopment, behavior, and reproductive success of humans and other species. A recent integrated computational model examined results across 18 ER-related assays in the ToxCast in vitro screening program to eliminate chemicals that produce a false signal by possibly interfering with the technological attributes of an individual assay. However, in vitro assays can also lead to false negatives when the complex metabolic processes that render a chemical bioactive in a living system might be unable to be replicated in an in vitro environment. In the current study, the influence of metabolism was examined for over 1,400 chemicals considered inactive using the integrated computational model. Over 2,000 first-generation and over 4,000 second-generation metabolites were generated for the inactive chemicals using in silico techniques. Next, a consensus model comprised of individual structure activity relationship (SAR) models was used to predict ER-binding activity for each of the metabolites. Binding activity was predicted for 8-10% of the meta

Model for selecting quality standards for a salad bar through identifying elements of customer satisfaction.

PubMed

Ouellet, D; Norback, J P

1993-11-01

Continuous quality improvement is the new requirement of the Joint Commission on Accreditation of Healthcare Organizations. This means that meeting quality standards will not be enough. Dietitians will need to improve those standards and the way they are selected. Because quality is defined in terms of the customers, all quality improvement projects must start by defining what customers want. Using a salad bar as an example, this article presents and illustrates a technique developed in Japan to identify which elements in a product or service will satisfy or dissatisfy consumers. Using a model and a questionnaire format developed by Kano and coworkers, 273 students were surveyed to classify six quality elements of a salad bar. Four elements showed a dominant "must-be" characteristic: food freshness, labeling of the dressings, no spills in the food, and no spills on the salad bar. The two other elements (food easy to reach and food variety) showed a dominant one-dimensional characteristic. By better understanding consumer perceptions of quality elements, foodservice managers can select quality standards that focus on what really matters to their consumers.

Chemical preconcentrator

DOEpatents

Manginell, Ronald P.; Frye-Mason, Gregory C.

2001-01-01

A chemical preconcentrator is disclosed with applications to chemical sensing and analysis. The preconcentrator can be formed by depositing a resistive heating element (e.g. platinum) over a membrane (e.g. silicon nitride) suspended above a substrate. A coating of a sorptive material (e.g. a microporous hydrophobic sol-gel coating or a polymer coating) is formed on the suspended membrane proximate to the heating element to selective sorb one or more chemical species of interest over a time period, thereby concentrating the chemical species in the sorptive material. Upon heating the sorptive material with the resistive heating element, the sorbed chemical species are released for detection and analysis in a relatively high concentration and over a relatively short time period. The sorptive material can be made to selectively sorb particular chemical species of interest while not substantially sorbing other chemical species not of interest. The present invention has applications for use in forming high-sensitivity, rapid-response miniaturized chemical analysis systems (e.g. a "chem lab on a chip").

Investigating Planetesimal Evolution by Experiments with Fe-Ni Metallic Melts: Light Element Composition Effects on Trace Element Partitioning Behavior

NASA Astrophysics Data System (ADS)

Chabot, N. L.

2017-12-01

As planetesimals were heated up in the early Solar System, the formation of Fe-Ni metallic melts was a common occurrence. During planetesimal differentiation, the denser Fe-Ni metallic melts separated from the less dense silicate components, though some meteorites suggest that their parent bodies only experienced partial differentiation. If the Fe-Ni metallic melts did form a central metallic core, the core eventually crystallized to a solid, some of which we sample as iron meteorites. In all of these planetesimal evolution processes, the composition of the Fe-Ni metallic melt influenced the process and the resulting trace element chemical signatures. In particular, the metallic melt's "light element" composition, those elements present in the metallic melt in a significant concentration but with lower atomic masses than Fe, can strongly affect trace element partitioning. Experimental studies have provided critical data to determine the effects of light elements in Fe-Ni metallic melts on trace element partitioning behavior. Here I focus on combining numerous experimental results to identify trace elements that provide unique insight into constraining the light element composition of early Solar System Fe-Ni metallic melts. Experimental studies have been conducted at 1 atm in a variety of Fe-Ni systems to investigate the effects of light elements on trace element partitioning behavior. A frequent experimental examination of the effects of light elements in metallic systems involves producing run products with coexisting solid metal and liquid metal phases. Such solid-metal-liquid-metal experiments have been conducted in the Fe-Ni binary system as well as Fe-Ni systems with S, P, and C. Experiments with O-bearing or Si-bearing Fe-Ni metallic melts do not lend themselves to experiments with coexisting solid metal and liquid metal phases, due to the phase diagrams of these elements, but experiments with two immiscible Fe-Ni metallic melts have provided insight into

Monash Chemical Yields Project (Monχey) Element production in low- and intermediate-mass stars

NASA Astrophysics Data System (ADS)

Doherty, Carolyn; Lattanzio, John; Angelou, George; Campbell, Simon W.; Church, Ross; Constantino, Thomas; Cristallo, Sergio; Gil-Pons, Pilar; Karakas, Amanda; Lugaro, Maria; Stancliffe, Richard

The Monχey project will provide a large and homogeneous set of stellar yields for the low- and intermediate- mass stars and has applications particularly to galactic chemical evolution modelling. We describe our detailed grid of stellar evolutionary models and corresponding nucleosynthetic yields for stars of initial mass 0.8 M⊙ up to the limit for core collapse supernova (CC-SN) ~ 10 M⊙. Our study covers a broad range of metallicities, ranging from the first, primordial stars (Z = 0) to those of super-solar metallicity (Z = 0.04). The models are evolved from the zero-age main-sequence until the end of the asymptotic giant branch (AGB) and the nucleosynthesis calculations include all elements from H to Bi. A major innovation of our work is the first complete grid of heavy element nucleosynthetic predictions for primordial AGB stars as well as the inclusion of extra-mixing processes (in this case thermohaline) during the red giant branch. We provide a broad overview of our results with implications for galactic chemical evolution as well as highlight interesting results such as heavy element production in dredge-out events of super-AGB stars. We briefly introduce our forthcoming web-based database which provides the evolutionary tracks, structural properties, internal/surface nucleosynthetic compositions and stellar yields. Our web interface includes user- driven plotting capabilities with output available in a range of formats. Our nucleosynthetic results will be available for further use in post processing calculations for dust production yields.

Development of a novel scoring system for identifying emerging chemical risks in the food chain.

PubMed

Oltmanns, J; Licht, O; Bitsch, A; Bohlen, M-L; Escher, S E; Silano, V; MacLeod, M; Serafimova, R; Kass, G E N; Merten, C

2018-02-21

The European Food Safety Authority (EFSA) is responsible for risk assessment of all aspects of food safety, including the establishment of procedures aimed at the identification of emerging risks to food safety. Here, a scoring system was developed for identifying chemicals registered under the European REACH Regulation that could be of potential concern in the food chain using the following parameters: (i) environmental release based on maximum aggregated tonnages and environmental release categories; (ii) biodegradation in the environment; (iii) bioaccumulation and in vivo and in vitro toxicity. The screening approach was tested on 100 data-rich chemicals registered under the REACH Regulation at aggregated volumes of at least 1000 tonnes per annum. The results show that substance-specific data generated under the REACH Regulation can be used to identify potential emerging risks in the food chain. After application of the screening procedure, priority chemicals can be identified as potentially emerging risk chemicals through the integration of exposure, environmental fate and toxicity. The default approach is to generate a single total score for each substance using a predefined weighting scenario. However, it is also possible to use a pivot table approach to combine the individual scores in different ways that reflect user-defined priorities, which enables a very flexible, iterative definition of screening criteria. Possible applications of the approaches are discussed using illustrative examples. Either approach can then be followed by in-depth evaluation of priority substances to ensure the identification of substances that present a real emerging chemical risk in the food chain.

The Natural Selection of the Chemical Elements (by R. J. P. Williams and J. J. R. Fraústo da Silva)

NASA Astrophysics Data System (ADS)

Kauffman, George B.

1998-12-01

Clarendon: New York, 1996. xxvi + 646 pp. Figs., tables. 20.5 x 25.6 cm. ISBN 0-19-855843-0. $80.00. R. J. P. Williams, Royal Society Research Professor Emeritus at Wadham College, Oxford University, and J. J. R. Fraústo da Silva, Professor of Analytical Chemistry at the Instituto Superior Técnico, Universidade Técnica de Lisboa, have collaborated on two previous volumes: New Trends in Bio-inorganic Chemistry (1978) and The Biological Chemistry of the Elements (3rd printing, 1994). Their latest collaborative effort is a book whose ambitious objective is "to show the relationship of every kind of material around us, living and nonliving, to the properties of the chemical elements of the periodic table." The "natural selection" of the chemical elements results from a number of factors, all of which are described in detail. Among these are chemical affinity related to the electronic configuration of their atoms, thermodynamic and kinetic stability, and "functional value to an organisation such as a living system". The physicist's approach to material through phase structure and the phase rule is stressed rather than the chemist's approach through bonding theories. The entire book possesses a strong environmental and interdisciplinary emphasis.

Elemental mapping of biological samples using a scanning proton microprobe

NASA Astrophysics Data System (ADS)

Watt, F.; Grime, G. W.

1988-03-01

Elemental mapping using a scanning proton microprobe (SPM) can be a powerful technique for probing trace elements in biology, allowing complex interfaces to be studied in detail, identifying contamination and artefacts present in the specimen, and in certain circumstances obtaining indirect chemical information. Examples used to illustrate the advantages of the technique include the elemental mapping of growing pollen tubes, honey bee brain section, a mouse macrophage cell, human liver section exhibiting primary biliary cirrhosis, and the attack by a mildew fungus on a pea leaf.

Regulatory elements of the floral homeotic gene AGAMOUS identified by phylogenetic footprinting and shadowing.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, R. L., Hamaguchi, L., Busch, M. A., and Weigel, D.

2003-06-01

OAK-B135 In Arabidopsis thaliana, cis-regulatory sequences of the floral homeotic gene AGAMOUS (AG) are located in the second intron. This 3 kb intron contains binding sites for two direct activators of AG, LEAFY (LFY) and WUSCHEL (WUS), along with other putative regulatory elements. We have used phylogenetic footprinting and the related technique of phylogenetic shadowing to identify putative cis-regulatory elements in this intron. Among 29 Brassicaceae, several other motifs, but not the LFY and WUS binding sites previously identified, are largely invariant. Using reporter gene analyses, we tested six of these motifs and found that they are all functionally importantmore » for activity of AG regulatory sequences in A. thaliana. Although there is little obvious sequence similarity outside the Brassicaceae, the intron from cucumber AG has at least partial activity in A. thaliana. Our studies underscore the value of the comparative approach as a tool that complements gene-by-gene promoter dissection, but also highlight that sequence-based studies alone are insufficient for a complete identification of cis-regulatory sites.« less

The limits of two-year bioassay exposure regimens for identifying chemical carcinogens.

PubMed

Huff, James; Jacobson, Michael F; Davis, Devra Lee

2008-11-01

Chemical carcinogenesis bioassays in animals have long been recognized and accepted as valid predictors of potential cancer hazards to humans. Most rodent bioassays begin several weeks after birth and expose animals to chemicals or other substances, including workplace and environmental pollutants, for 2 years. New findings indicate the need to extend the timing and duration of exposures used in the rodent bioassay. In this Commentary, we propose that the sensitivity of chemical carcinogenesis bio-assays would be enhanced by exposing rodents beginning in utero and continuing for 30 months (130 weeks) or until their natural deaths at up to about 3 years. Studies of three chemicals of different structures and uses-aspartame, cadmium, and toluene-suggest that exposing experimental animals in utero and continuing exposure for 30 months or until their natural deaths increase the sensitivity of bioassays, avoid false-negative results, and strengthen the value and validity of results for regulatory agencies. Government agencies, drug companies, and the chemical industry should conduct and compare the results of 2-year bioassays of known carcinogens or chemicals for which there is equivocal evidence of carcinogenicity with longer-term studies, with and without in utero exposure. If studies longer than 2 years and/or with in utero exposure are found to better identify potential human carcinogens, then regulatory agencies should promptly revise their testing guidelines, which were established in the 1960s and early 1970s. Changing the timing and dosing of the animal bioassay would enhance protection of workers and consumers who are exposed to potentially dangerous workplace or home contaminants, pollutants, drugs, food additives, and other chemicals throughout their lives.

The Limits of Two-Year Bioassay Exposure Regimens for Identifying Chemical Carcinogens

PubMed Central

Huff, James; Jacobson, Michael F.; Davis, Devra Lee

2008-01-01

Background Chemical carcinogenesis bioassays in animals have long been recognized and accepted as valid predictors of potential cancer hazards to humans. Most rodent bioassays begin several weeks after birth and expose animals to chemicals or other substances, including workplace and environmental pollutants, for 2 years. New findings indicate the need to extend the timing and duration of exposures used in the rodent bioassay. Objectives In this Commentary, we propose that the sensitivity of chemical carcinogenesis bio-assays would be enhanced by exposing rodents beginning in utero and continuing for 30 months (130 weeks) or until their natural deaths at up to about 3 years. Discussion Studies of three chemicals of different structures and uses—aspartame, cadmium, and toluene—suggest that exposing experimental animals in utero and continuing exposure for 30 months or until their natural deaths increase the sensitivity of bioassays, avoid false-negative results, and strengthen the value and validity of results for regulatory agencies. Conclusions Government agencies, drug companies, and the chemical industry should conduct and compare the results of 2-year bioassays of known carcinogens or chemicals for which there is equivocal evidence of carcinogenicity with longer-term studies, with and without in utero exposure. If studies longer than 2 years and/or with in utero exposure are found to better identify potential human carcinogens, then regulatory agencies should promptly revise their testing guidelines, which were established in the 1960s and early 1970s. Changing the timing and dosing of the animal bioassay would enhance protection of workers and consumers who are exposed to potentially dangerous workplace or home contaminants, pollutants, drugs, food additives, and other chemicals throughout their lives. PMID:19057693

Identifying geochemical processes using End Member Mixing Analysis to decouple chemical components for mixing ratio calculations

NASA Astrophysics Data System (ADS)

Pelizardi, Flavia; Bea, Sergio A.; Carrera, Jesús; Vives, Luis

2017-07-01

Mixing calculations (i.e., the calculation of the proportions in which end-members are mixed in a sample) are essential for hydrological research and water management. However, they typically require the use of conservative species, a condition that may be difficult to meet due to chemical reactions. Mixing calculation also require identifying end-member waters, which is usually achieved through End Member Mixing Analysis (EMMA). We present a methodology to help in the identification of both end-members and such reactions, so as to improve mixing ratio calculations. The proposed approach consists of: (1) identifying the potential chemical reactions with the help of EMMA; (2) defining decoupled conservative chemical components consistent with those reactions; (3) repeat EMMA with the decoupled (i.e., conservative) components, so as to identify end-members waters; and (4) computing mixing ratios using the new set of components and end-members. The approach is illustrated by application to two synthetic mixing examples involving mineral dissolution and cation exchange reactions. Results confirm that the methodology can be successfully used to identify geochemical processes affecting the mixtures, thus improving the accuracy of mixing ratios calculations and relaxing the need for conservative species.

The abundance and relative volatility of refractory trace elements in Allende Ca,Al-rich inclusions - Implications for chemical and physical processes in the solar nebula

NASA Technical Reports Server (NTRS)

Kornacki, Alan S.; Fegley, Bruce, Jr.

1986-01-01

The relative volatilities of lithophile refractory trace elements (LRTE) were determined using calculated 50-percent condensation temperatures. Then, the refractory trace-element abundances were measured in about 100 Allende inclusions. The abundance patterns found in Allende Ca,Al-rich inclusions (CAIs) and ultrarefractory inclusions were used to empirically modify the calculated LRTE volatility sequence. In addition, the importance of crystal-chemical effects, diffusion constraints, and grain transport for the origin of the trace-element chemistry of Allende CAIs (which have important implications for chemical and physical processes in the solar nebula) is discussed.

Method for quantitative determination and separation of trace amounts of chemical elements in the presence of large quantities of other elements having the same atomic mass

DOEpatents

Miller, C.M.; Nogar, N.S.

1982-09-02

Photoionization via autoionizing atomic levels combined with conventional mass spectroscopy provides a technique for quantitative analysis of trace quantities of chemical elements in the presence of much larger amounts of other elements with substantially the same atomic mass. Ytterbium samples smaller than 10 ng have been detected using an ArF* excimer laser which provides the atomic ions for a time-of-flight mass spectrometer. Elemental selectivity of greater than 5:1 with respect to lutetium impurity has been obtained. Autoionization via a single photon process permits greater photon utilization efficiency because of its greater absorption cross section than bound-free transitions, while maintaining sufficient spectroscopic structure to allow significant photoionization selectivity between different atomic species. Separation of atomic species from others of substantially the same atomic mass is also described.

USE OF THE RIBONUCLEASE PROTECTION ASSAY FOR IDENTIFYING CHEMICALS WHICH ELLICIT HYPERSENSITIVITY RESPONSES

EPA Science Inventory

Use of the Ribonuclease Protection Assay (RPA) for Identifying Chemicals that Elicit Hypersensitivity Responses. L.M. Plitnick, 1, D.M. Sailstad, 2, and R.J. Smialowicz, 2 1UNC, Curriculum in Toxicology, Chapel Hill, NC and 2USEPA, NHEERL, RTP, NC.

The incidence of aller...

Lack of chemical fractionation in major and minor elements during agglutinate formation. [in lunar soil

NASA Technical Reports Server (NTRS)

Hu, H.-N.; Taylor, L. A.

1977-01-01

Rhodes et al. (1975, 1976) and Adams et al. (1975) have reported that the agglutinate fraction of the soils on the lunar surface displays a marked enrichment in Fe, Mg, Ti, K, and La, and a depletion in Ca, Na, Al, and Eu, relative to the bulk soils. The reported investigation is concerned with a testing of the theory of chemical fractionation involving magnetic separation which was developed in connection with these findings. Soils 64421 and 71501 were sieved and the magnetic fractions separated according to the method developed by Adams and McCord (1973). Analyses of agglutinitic glass did not indicate any appreciable chemical fractionation for the major and minor elements accompanying the agglutination process. It was found that most, if not all fractionations reported can be accounted for completely by the magnetic nonagglutinate impurities in the agglutinate fraction. It is, therefore, concluded that there appears to be no reason to make use of any chemical fractionation theory, whose validity remains to be demonstrated.

Our heritage of the elements

NASA Astrophysics Data System (ADS)

Seaborg, Glenn T.

1980-12-01

The role of our heritage of chemical elements, natural and man-made, in determining our accomplishments throughout our history will be described. From the Stone Age, to the beginning of the recent era of understanding of their nature and until the present, mastery of the utilization of the elements has determined the destiny of nations. Whereas even a century ago all but a handful of the elements were mere chemical curiosities, almost all of this great heritage is beginning to be put to use. Today, with our advanced state of knowledge and the incentive of continuing our creative evolution of remaking and fully utilizing our environment, we have sufficient perspective to appreciate just how rich and important is our legacy of the chemical elements. And when the broad, rich, complex spectrum of properties of the pure elements falls short of our needs, we find that we can obtain an enormous variety of properties by combining or mixing them or synthesizing new elements using the Periodic Table as a guiding principle. Our future progress and well being will depend in large part on learning more about the chemical elements and their combinations. These new frontiers continue to be frontiers of the mind.

Our heritage of the elements

NASA Astrophysics Data System (ADS)

Seaborg, Glenn T.

1980-03-01

The role of our heritage of chemical elements, natural and man-made, in determining our accomplishments throughout our history will be described. From the Stone Age, to the beginning of the recent era of understanding of their nature and until the present, mastery of the utilization of the elements has determined the destiny of nations." Whereas even a century ago all but a handful of the elements were mere chemical curiosities, almost all of this great heritage is beginning to be put to use. Today, with our advanced state of knowledge and the incentive of continuing our creative evolution of remaking and fully utilizing our environment, we have sufficient perspective to appreciate just how rich and important is our legacy of the chemical elements. And when the broad, rich, complex spectrum of properties of the pure elements falls short of our needs, we find that we can obtain an enormous variety of properties by combining or mixing them or synthesizing new elements using the Periodic Table as a guiding principle. Our future progress and well being will depend in large part on learning more about the chemical elements and their combinations. These new frontiers continue to be frontiers of the mind.

CHEMICAL MAPPING OF ELEMENTAL SULFUR ON PYRITE AND ARSENOPYRITE SURFACES USING NEAR-INFRARED RAMAN IMAGING MICROSCOPY. (R826189)

EPA Science Inventory

Abstract

Near-infrared Raman imaging microscopy (NIRIM) was used to produce chemical images of the distribution of elemental sulfur on oxidized pyrite and arsenopyrite surfaces. Analysis using Savitsky_¯Golay filtering permits an unambiguous identificati...

Preventing, identifying, and managing cosmetic procedure complications, part 2: lasers and chemical peels.

PubMed

Brown, Megan

2016-08-01

Part 1 of this series highlighted some of the potential complications that have been associated with soft tissue augmentation and botulinum toxin injections. In part 2, tips for how dermatology residents may prevent, identify, and manage complications from lasers and chemical peels for optimal patient outcomes are provided.

ESPERR: learning strong and weak signals in genomic sequence alignments to identify functional elements.

PubMed

Taylor, James; Tyekucheva, Svitlana; King, David C; Hardison, Ross C; Miller, Webb; Chiaromonte, Francesca

2006-12-01

Genomic sequence signals - such as base composition, presence of particular motifs, or evolutionary constraint - have been used effectively to identify functional elements. However, approaches based only on specific signals known to correlate with function can be quite limiting. When training data are available, application of computational learning algorithms to multispecies alignments has the potential to capture broader and more informative sequence and evolutionary patterns that better characterize a class of elements. However, effective exploitation of patterns in multispecies alignments is impeded by the vast number of possible alignment columns and by a limited understanding of which particular strings of columns may characterize a given class. We have developed a computational method, called ESPERR (evolutionary and sequence pattern extraction through reduced representations), which uses training examples to learn encodings of multispecies alignments into reduced forms tailored for the prediction of chosen classes of functional elements. ESPERR produces a greatly improved Regulatory Potential score, which can discriminate regulatory regions from neutral sites with excellent accuracy ( approximately 94%). This score captures strong signals (GC content and conservation), as well as subtler signals (with small contributions from many different alignment patterns) that characterize the regulatory elements in our training set. ESPERR is also effective for predicting other classes of functional elements, as we show for DNaseI hypersensitive sites and highly conserved regions with developmental enhancer activity. Our software, training data, and genome-wide predictions are available from our Web site (http://www.bx.psu.edu/projects/esperr).

Survey of elemental specificity in positron annihilation peak shapes

NASA Astrophysics Data System (ADS)

Myler, U.; Simpson, P. J.

1997-12-01

Recently the detailed interpretation of positron-annihilation γ-ray peak shapes has proven to be of interest with respect to their chemical specificity. In this contribution, we show highly resolved spectra for a number of different elements. To this purpose, annihilation spectra with strongly reduced background intensities were recorded in the two detector geometry, using a variable-energy positron beam. Division of the subsequently normalized spectra by a standard spectrum (in our case the spectrum of pure silicon) yields quotient spectra, which display features characteristic of the sample material. First we ascertain that the specific spectrum of an element is conserved in different chemical compounds, demonstrated here by identical oxygen spectra obtained from both SiO2/Si and MgO/Mg. Second, we show highly resolved spectra for a number of different elements (Fe...Zn, Ag, Ir...Au). We show that the characteristic features in these spectra vary in a systematic fashion with the atomic number of the element and can be tentatively identified with particular orbitals. Finally, for 26 different elements we compare the maximum intensity in the quotient spectra with the relative atomic density in the corresponding element. To our knowledge, this is the most comprehensive survey of such data made to date.

Elements including metals in the atomizer and aerosol of disposable electronic cigarettes and electronic hookahs.

PubMed

Williams, Monique; Bozhilov, Krassimir; Ghai, Sanjay; Talbot, Prue

2017-01-01

Our purpose was to quantify 36 inorganic chemical elements in aerosols from disposable electronic cigarettes (ECs) and electronic hookahs (EHs), examine the effect of puffing topography on elements in aerosols, and identify the source of the elements. Thirty-six inorganic chemical elements and their concentrations in EC/EH aerosols were determined using inductively coupled plasma optical emission spectroscopy, and their source was identified by analyzing disassembled atomizers using scanning electron microscopy and energy dispersive X-ray spectroscopy. Of 36 elements screened, 35 were detected in EC/EH aerosols, while only 15 were detected in conventional tobacco smoke. Some elements/metals were present in significantly higher concentrations in EC/EH aerosol than in cigarette smoke. Concentrations of particular elements/metals within EC/EH brands were sometimes variable. Aerosols generated at low and high air-flow rates produced the same pattern of elements, although the total element concentration decreased at the higher air flow rate. The relative amount of elements in the first and last 60 puffs was generally different. Silicon was the dominant element in aerosols from all EC/EH brands and in cigarette smoke. The elements appeared to come from the filament (nickel, chromium), thick wire (copper coated with silver), brass clamp (copper, zinc), solder joints (tin, lead), and wick and sheath (silicon, oxygen, calcium, magnesium, aluminum). Lead was identified in the solder and aerosol of two brands of EHs (up to 0.165 μg/10 puffs). These data show that EC/EH aerosols contain a mixture of elements, including heavy metals, with concentrations often significantly higher than in conventional cigarette smoke. While the health effects of inhaling mixtures of heated metals is currently not known, these data will be valuable in future risk assessments involving EC/EH elements/metals.

Elements including metals in the atomizer and aerosol of disposable electronic cigarettes and electronic hookahs

PubMed Central

Williams, Monique; Bozhilov, Krassimir; Ghai, Sanjay; Talbot, Prue

2017-01-01

Objective Our purpose was to quantify 36 inorganic chemical elements in aerosols from disposable electronic cigarettes (ECs) and electronic hookahs (EHs), examine the effect of puffing topography on elements in aerosols, and identify the source of the elements. Methods Thirty-six inorganic chemical elements and their concentrations in EC/EH aerosols were determined using inductively coupled plasma optical emission spectroscopy, and their source was identified by analyzing disassembled atomizers using scanning electron microscopy and energy dispersive X-ray spectroscopy. Results Of 36 elements screened, 35 were detected in EC/EH aerosols, while only 15 were detected in conventional tobacco smoke. Some elements/metals were present in significantly higher concentrations in EC/EH aerosol than in cigarette smoke. Concentrations of particular elements/metals within EC/EH brands were sometimes variable. Aerosols generated at low and high air-flow rates produced the same pattern of elements, although the total element concentration decreased at the higher air flow rate. The relative amount of elements in the first and last 60 puffs was generally different. Silicon was the dominant element in aerosols from all EC/EH brands and in cigarette smoke. The elements appeared to come from the filament (nickel, chromium), thick wire (copper coated with silver), brass clamp (copper, zinc), solder joints (tin, lead), and wick and sheath (silicon, oxygen, calcium, magnesium, aluminum). Lead was identified in the solder and aerosol of two brands of EHs (up to 0.165 μg/10 puffs). Conclusion These data show that EC/EH aerosols contain a mixture of elements, including heavy metals, with concentrations often significantly higher than in conventional cigarette smoke. While the health effects of inhaling mixtures of heated metals is currently not known, these data will be valuable in future risk assessments involving EC/EH elements/metals. PMID:28414730

Causality Analysis: Identifying the Leading Element in a Coupled Dynamical System

PubMed Central

BozorgMagham, Amir E.; Motesharrei, Safa; Penny, Stephen G.; Kalnay, Eugenia

2015-01-01

Physical systems with time-varying internal couplings are abundant in nature. While the full governing equations of these systems are typically unknown due to insufficient understanding of their internal mechanisms, there is often interest in determining the leading element. Here, the leading element is defined as the sub-system with the largest coupling coefficient averaged over a selected time span. Previously, the Convergent Cross Mapping (CCM) method has been employed to determine causality and dominant component in weakly coupled systems with constant coupling coefficients. In this study, CCM is applied to a pair of coupled Lorenz systems with time-varying coupling coefficients, exhibiting switching between dominant sub-systems in different periods. Four sets of numerical experiments are carried out. The first three cases consist of different coupling coefficient schemes: I) Periodic–constant, II) Normal, and III) Mixed Normal/Non-normal. In case IV, numerical experiment of cases II and III are repeated with imposed temporal uncertainties as well as additive normal noise. Our results show that, through detecting directional interactions, CCM identifies the leading sub-system in all cases except when the average coupling coefficients are approximately equal, i.e., when the dominant sub-system is not well defined. PMID:26125157

[Exposure to hazardous chemical substances in furniture industry].

PubMed

Pośniak, Małgorzata; Kowalska, Joanna; Makhniashvili, Ivan

2005-01-01

The aim of the study was to assess the exposure to organic solvents in plants of the furniture industry. Studies were conducted in five furniture plants. Hazardous chemicals present in the air at workposts were determined by capillary gas chromatography with mass spectrometry and flame ionization detection. The analysis of air samples collected at the workposts allowed to identify the following chemicals occurring during varnishing and cleaning of furniture surface elements: acetone, butan-2-one, ethyl, isobutyl and methoxypropyl acetate, 4-methylpentan-2-on, toluene, ethylbenzene and xylenes. Indices characteristic of combined exposure ranged from 0.13 to 1.67 and exceeded the limit value at 21% of workposts. The results of the study indicate that chemicals present at representative workposts during the furniture production are harmful to health of workers, especially those involved in varnishing and cleaning of furniture elements.

Recycling of trace elements required for humans in CELSS.

PubMed

Ashida, A

1994-11-01

Recycle of complete nourishment necessary for human should be constructed in CELSS (Controlled Ecological Life Support Systems). Essential elements necessary for human support are categorized as major elements, semi-major elements and trace elements. Recently, trace elements have been identified from considerations of local diseases, food additive problems, pollution problems and adult diseases, consisting of Fe, Zn, Cu, Se, Co, F, Si, Mn, Cr, I, As, Mo, Ni, V, Sn, Li, Br, Cd, Pb, B. A review of the biogeochemical history of the earth's biosphere and the physiological nature of humans and plants explains some of the requirements. A possible route for intake of trace elements is considered that trace elements are dissolved in some chemical form in water, absorbed by plants through their roots and then transfered to human as foods. There may be a possibility that living things absorb some trace elements from atmosphere. Management and recycling of trace elements in CELSS is discussed.

Recycling of trace elements required for humans in CELSS

NASA Astrophysics Data System (ADS)

Ashida, A.

1994-11-01

Recycle of complete nourishment necessary for human should be constructed in CELSS (Controlled Ecological Life Support Systems). Essential elements necessary for human support are categorized as major elements, semi-major elements and trace elements. Recently, trace elements have been identified from considerations of local diseases, food additive problems, pollution problems and adult diseases, consisting of Fe, Zn, Cu, Se, Co, F, Si, Mn, Cr, I, As, Mo, Ni, V, Sn, Li, Br, Cd, Pb, B. A review of the biogeochemical history of the earth's biosphere and the physiological nature of humans and plants explains some of the requirements. A possible route for intake of trace elements is considered that trace elements are dissolved in some chemical form in water, absorbed by plants through their roots and then transfered to human as foods. There may be a posibility that living things absorb some trace elements from atmosphere. Management and recycling of trace elements in CELSS is discussed.

77 FR 41406 - Evaluation of In Vitro Tests for Identifying Eye Injury Hazard Potential of Chemicals and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-13

... DEPARTMENT OF HEALTH AND HUMAN SERVICES Evaluation of In Vitro Tests for Identifying Eye Injury...-animal testing strategies proposed for identifying eye injury hazard potential of chemicals and products... Panel and submission of data from substances tested in in vitro tests for identifying eye injury hazard...

Chemical elemental analysis of single acoustic-levitated water droplets by laser-induced breakdown spectroscopy.

PubMed

Contreras, Victor; Valencia, Ricardo; Peralta, Jairo; Sobral, H; Meneses-Nava, M A; Martinez, Horacio

2018-05-15

Laser-induced breakdown spectroscopy is presented for trace element detection of liquid samples by analyzing a single droplet levitated by ultrasonic waves. A single liquid droplet is placed in the node of a standing acoustic wave produced by a uniaxial levitator for further chemical analysis. The acoustic levitator consists of a commercial Langevin-type transducer, attached to a concave mechanical amplifier, and a concave reflector. A micro-syringe was used to manually place individual liquid droplet samples in the acoustic levitation system. For chemical analysis, a laser-induced plasma is produced by focusing a single laser pulse on the levitated water droplet after it partially dries. The performance of the acoustic levitator on micron-sized droplets is discussed, and the detection of Ba, Cd, Hg, and Pb at parts per million (milligrams/liter) and sub-parts per million levels is reported. The process, starting from placing the sample in the acoustic levitator and ending on the chemical identification of the traces, takes a few minutes. The approach is particularly interesting in applications demanding limited volumes of liquid samples and relative simple and inexpensive techniques.

[Distribution of chemical elements in whole blood and plasma].

PubMed

Barashkov, G K; Zaĭtseva, L I; Kondakhchan, M A; Konstantinova, E A

2003-01-01

The distribution factor (Fd) of 35 elements of plasma and whole blood in 26 healthy men and women was detected by ICP-OES. Usilig this parameter the elements were subdivided in 3 pools. 9 of them have Fd higher than 1.5 ("elements of plasma"-Ag, Ca, Cu, In, Li, Na, Se, Si, Sr); 6 have lower than 0.5 ("elements of blood cells"-Fe, K, Mn, Ni, V, Zn), other 20-about 1 ("blood elements"). Fd of all elements depends on ionic radius. Elements of 2nd sub-groups of all groups of Mendeleev's periodic table ("heavy metals") depend on the similar law: "with growing of ionic radius the concentration of elements in plasma enhances". In alkaline metals Fd depends on the opposite law:" with growing of ionic radius of alkaline metal the quantity of elements in blood cells enhance". Dependence of Fd on the value of atomic mass in periods or in exterior electronic cloud (s-, p-, d-, f-) was not established. The table of distribution of all detected elements in whole blood in relation to 8 macroelements (Ca, Mg, K, Na, S, P, Fe, Zn,) is presented, as a basic diagnostic criteria in metal-ligand homeostasis disturbance.

76 FR 50220 - Availability of Draft ICCVAM Recommendations on Using Fewer Animals to Identify Chemical Eye...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-12

... Fewer Animals to Identify Chemical Eye Hazards: Revised Criteria Necessary to Maintain Equivalent Hazard... criteria using results from 3-animal tests that would provide eye hazard classification equivalent to... least 1 positive animal in a 3-animal test to identify eye hazards will provide the same or greater...

Chemical Safety Alert: Identifying Chemical Reactivity Hazards Preliminary Screening Method

EPA Pesticide Factsheets

Introduces small-to-medium-sized facilities to a method developed by Center for Chemical Process Safety (CCPS), based on a series of twelve yes-or-no questions to help determine hazards in warehousing, repackaging, blending, mixing, and processing.

Chemistry of the superheavy elements.

PubMed

Schädel, Matthias

2015-03-13

The quest for superheavy elements (SHEs) is driven by the desire to find and explore one of the extreme limits of existence of matter. These elements exist solely due to their nuclear shell stabilization. All 15 presently 'known' SHEs (11 are officially 'discovered' and named) up to element 118 are short-lived and are man-made atom-at-a-time in heavy ion induced nuclear reactions. They are identical to the transactinide elements located in the seventh period of the periodic table beginning with rutherfordium (element 104), dubnium (element 105) and seaborgium (element 106) in groups 4, 5 and 6, respectively. Their chemical properties are often surprising and unexpected from simple extrapolations. After hassium (element 108), chemistry has now reached copernicium (element 112) and flerovium (element 114). For the later ones, the focus is on questions of their metallic or possibly noble gas-like character originating from interplay of most pronounced relativistic effects and electron-shell effects. SHEs provide unique opportunities to get insights into the influence of strong relativistic effects on the atomic electrons and to probe 'relativistically' influenced chemical properties and the architecture of the periodic table at its farthest reach. In addition, they establish a test bench to challenge the validity and predictive power of modern fully relativistic quantum chemical models. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Geophagy practices and the content of chemical elements in the soil eaten by pregnant women in artisanal and small scale gold mining communities in Tanzania.

PubMed

Nyanza, Elias C; Joseph, Mary; Premji, Shahirose S; Thomas, Deborah Sk; Mannion, Cynthia

2014-04-15

Geophagy, a form of pica, is the deliberate consumption of soil and is relatively common across Sub-Saharan Africa. In Tanzania, pregnant women commonly eat soil sticks sold in the market (pemba), soil from walls of houses, termite mounds, and ground soil (kichuguu). The present study examined geophagy practices of pregnant women in a gold mining area of Geita District in northwestern Tanzania, and also examined the potential for exposure to chemical elements by testing soil samples. We conducted a cross sectional study using a convenience sample of 340 pregnant women, ranging in age from 15-49 years, who attended six government antenatal clinics in the Geita District, Tanzania. Structured interviews were conducted in June-August, 2012, to understand geophagy practices. In addition, soil samples taken from sources identified by pregnant women practicing geophagy were analysed for mineral element content. Geophagy was reported by 155 (45.6%) pregnant women with 85 (54.8%) initiating the practice in the first trimester. A total of 101 (65%) pregnant women reported eating soil 2 to 3 times per day while 20 (13%) ate soil more than 3 times per day. Of 155 pregnant women 107 (69%) bought pemba from local shops, while 48 (31%) consumed ground soil kichuguu. The estimated mean quantity of soil consumed from pemba was 62.5 grams/day. Arsenic, chromium, copper, iron, manganese, nickel and zinc levels were found in both pemba and kichuguu samples. Cadmium and mercury were found only in the kichuguu samples. Based on daily intake estimates, arsenic, copper and manganese for kichuguu and copper and manganese for pemba samples exceed the oral Minimum Risk Levels designated by the U.S. Agency for Toxic Substance and Disease Registry. Almost 50% of participants practiced geophagy in Geita District consistent with other reports from Africa. Both pemba and kichuguu contained chemical elements at varying concentration, mostly above MRLs. As such, pregnant women who eat soil in Geita

Geophagy practices and the content of chemical elements in the soil eaten by pregnant women in artisanal and small scale gold mining communities in Tanzania

PubMed Central

2014-01-01

Background Geophagy, a form of pica, is the deliberate consumption of soil and is relatively common across Sub-Saharan Africa. In Tanzania, pregnant women commonly eat soil sticks sold in the market (pemba), soil from walls of houses, termite mounds, and ground soil (kichuguu). The present study examined geophagy practices of pregnant women in a gold mining area of Geita District in northwestern Tanzania, and also examined the potential for exposure to chemical elements by testing soil samples. Method We conducted a cross sectional study using a convenience sample of 340 pregnant women, ranging in age from 15–49 years, who attended six government antenatal clinics in the Geita District, Tanzania. Structured interviews were conducted in June-August, 2012, to understand geophagy practices. In addition, soil samples taken from sources identified by pregnant women practicing geophagy were analysed for mineral element content. Results Geophagy was reported by 155 (45.6%) pregnant women with 85 (54.8%) initiating the practice in the first trimester. A total of 101 (65%) pregnant women reported eating soil 2 to 3 times per day while 20 (13%) ate soil more than 3 times per day. Of 155 pregnant women 107 (69%) bought pemba from local shops, while 48 (31%) consumed ground soil kichuguu. The estimated mean quantity of soil consumed from pemba was 62.5 grams/day. Arsenic, chromium, copper, iron, manganese, nickel and zinc levels were found in both pemba and kichuguu samples. Cadmium and mercury were found only in the kichuguu samples. Based on daily intake estimates, arsenic, copper and manganese for kichuguu and copper and manganese for pemba samples exceed the oral Minimum Risk Levels designated by the U.S. Agency for Toxic Substance and Disease Registry. Conclusion Almost 50% of participants practiced geophagy in Geita District consistent with other reports from Africa. Both pemba and kichuguu contained chemical elements at varying concentration, mostly above MRLs. As

Element-ary Development.

ERIC Educational Resources Information Center

Schamp, Homer W., Jr.

1989-01-01

Describes the historic development of the periodic table from the four-element theory to the Lavoisier's table. Presents a table listing the old and new names of chemicals and the Lavoisier's table of elements. Lists two references. (YP)

Junior Colloquium: Filling a Gap in Undergraduate Chemical Education

ERIC Educational Resources Information Center

Verbit, Lawrence; Madan, Stanley K.

1973-01-01

Describes a one-semester course which consists of undergraduate-oriented talks by faculty members and industrial scientists, reading assignments concerning human elements, and an introduction to chemical literature. Indicates that the course has the flexibility to change as other areas of need are identified. (CC)

Chemical screening platforms for autophagy drug discovery to identify therapeutic candidates for Huntington's disease and other neurodegenerative disorders.

PubMed

Sarkar, Sovan

2013-01-01

Autophagy is a cellular degradation process involved in the clearance of aggregate-prone proteins associated with neurodegenerative diseases. While the mTOR pathway has been known to be the major regulator of autophagy, recent advancements into the regulation of autophagy have identified mTOR-independent autophagy pathways that are amenable to chemical perturbations. Several chemical and genetic screens have been undertaken to identify small molecule and genetic regulators of autophagy, respectively. The small molecule autophagy enhancers offer great potential as therapeutic candidates not only for neurodegenerative diseases, but also for diverse human diseases where autophagy acts as a protective pathway. This review highlights the various chemical screening platforms for autophagy drug discovery pertinent for the treatment of neurodegenerative diseases.

Chemical speciation and bioavailability of rare earth elements (REEs) in the ecosystem: a review.

PubMed

Khan, Aysha Masood; Bakar, Nor Kartini Abu; Bakar, Ahmad Farid Abu; Ashraf, Muhammad Aqeel

2017-10-01

Rare earths (RE), chemically uniform group of elements due to similar physicochemical behavior, are termed as lanthanides. Natural occurrence depends on the geological circumstances and has been of long interest for geologist as tools for further scientific research into the region of ores, rocks, and oceanic water. The review paper mainly focuses to provide scientific literature about rare earth elements (REEs) with potential environmental and health effects in understanding the research. This is the initial review of RE speciation and bioavailability with current initiative toward development needs and research perceptive. In this paper, we have also discussed mineralogy, extraction, geochemistry, analytical methods of rare earth elements. In this study, REEs with their transformation and vertical distribution in different environments such as fresh and seawater, sediments, soil, weathering, transport, and solubility have been reported with most recent literature along key methods of findings. Speciation and bioavailability have been discussed in detail with special emphasis on soil, plant, and aquatic ecosystems and their impacts on the environment. This review shows that REE gained more importance in last few years due to their detrimental effects on living organisms, so their speciation, bioavailability, and composition are much more important to evaluate their health risks and are discussed thoroughly as well.

Chemical and sewage sludge co-incineration in a full-scale MSW incinerator: toxic trace element mass balance.

PubMed

Biganzoli, Laura; Grosso, Mario; Giugliano, Michele; Campolunghi, Manuel

2012-10-01

Co-incineration of sludges with MSW is a quite common practice in Europe. This paper illustrates a case of co-incineration of both sewage sludges and chemical sludges, the latter obtained from drinking water production, in a waste-to-energy (WTE) plant located in northern Italy and equipped with a grate furnace, and compares the toxic trace elements mass balance with and without the co-incineration of sludges. The results show that co-incineration of sewage and chemical sludges does not result in an increase of toxic trace elements the total release in environment, with the exception of arsenic, whose total release increases from 1 mg t(fuel) (-1) during standard operation to 3 mg t(fuel) (-1) when sludges are co-incinerated. The increase of arsenic release is, however, attributable to the sole bottom ashes, where its concentration is five times higher during sludge co-incineration. No variation is observed for arsenic release at the stack. This fact is a further guarantee that the co-incineration of sludges, when performed in a state-of-the-art WTE plant, does not have negative effects on the atmospheric environment.

Understanding the Idea of Chemical Elements and Their Periodic Classification in Spanish Students Aged 16-18 Years

ERIC Educational Resources Information Center

Franco-Mariscal, Antonio-Joaquín; Oliva-Martínez, José María; Almoraima Gil, M. L.

2016-01-01

The work reported here involved a comparative study regarding the understanding that high school students (16-18 years) have of the concept of chemical elements and their periodic classification. More specifically, the level of knowledge on this topic was compared before and after the completion of baccalaureate studies in a sample of Spanish…

Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors Within the ToxCast Phase I and II Chemical Libraries

PubMed Central

Watt, Eric D.; Hornung, Michael W.; Hedge, Joan M.; Judson, Richard S.; Crofton, Kevin M.; Houck, Keith A.; Simmons, Steven O.

2016-01-01

High-throughput screening for potential thyroid-disrupting chemicals requires a system of assays to capture multiple molecular-initiating events (MIEs) that converge on perturbed thyroid hormone (TH) homeostasis. Screening for MIEs specific to TH-disrupting pathways is limited in the U.S. Environmental Protection Agency ToxCast screening assay portfolio. To fill 1 critical screening gap, the Amplex UltraRed-thyroperoxidase (AUR-TPO) assay was developed to identify chemicals that inhibit TPO, as decreased TPO activity reduces TH synthesis. The ToxCast phase I and II chemical libraries, comprised of 1074 unique chemicals, were initially screened using a single, high concentration to identify potential TPO inhibitors. Chemicals positive in the single-concentration screen were retested in concentration-response. Due to high false-positive rates typically observed with loss-of-signal assays such as AUR-TPO, we also employed 2 additional assays in parallel to identify possible sources of nonspecific assay signal loss, enabling stratification of roughly 300 putative TPO inhibitors based upon selective AUR-TPO activity. A cell-free luciferase inhibition assay was used to identify nonspecific enzyme inhibition among the putative TPO inhibitors, and a cytotoxicity assay using a human cell line was used to estimate the cellular tolerance limit. Additionally, the TPO inhibition activities of 150 chemicals were compared between the AUR-TPO and an orthogonal peroxidase oxidation assay using guaiacol as a substrate to confirm the activity profiles of putative TPO inhibitors. This effort represents the most extensive TPO inhibition screening campaign to date and illustrates a tiered screening approach that focuses resources, maximizes assay throughput, and reduces animal use. PMID:26884060

Effects of copyrolysis of sludge with calcium carbonate and calcium hydrogen phosphate on chemical stability of carbon and release of toxic elements in the resultant biochars.

PubMed

Xu, Xuebin; Hu, Xin; Ding, Zhuhong; Chen, Yijun

2017-12-01

The potential release of toxic elements and the stability of carbon in sludge-based biochars are important on their application in soil remediation and wastewater treatment. In this study, municipal sludge was co-pyrolyzed with calcium carbonate (CaCO 3 ) and calcium dihydrogen phosphate [Ca(H 2 PO 4 ) 2 ] under 300 and 600 °C, respectively. The basic physicochemical properties of the resultant biochars were characterized and laboratory chemical oxidation and leaching experiments of toxic elements were conducted to evaluate the chemical stability of carbon in biochars and the potential release of toxic elements from biochars. Results show that the exogenous minerals changed the physico-chemical properties of the resultant biochars greatly. Biochars with exogenous minerals, especially Ca(H 2 PO 4 ) 2 , decreased the release of Zn, Cr, Ni, Cu, Pb, and As and the release ratios were less than 1%. Tessier's sequential extraction analysis revealed that labile toxic elements were transferred to residual fraction in the biochars with high pyrolysis temperature (600 °C) and exogenous minerals. Low risks for biochar-bound Pb, Zn, Cd, As, Cr, and Cu were confirmed according to risk assessment code (RAC) while the potential ecological risk index (PERI) revealed that the exogenous Ca(H 2 PO 4 ) 2 significantly decreased the risks from considerable to moderate level. Moreover, the exogenous minerals significantly increased the chemical stability of carbon in 600 °C-pyrolyzed biochars by 10-20%. These results indicated that the copyrolysis of sludge with phosphate and carbonate, especially phosphate, were effective methods to prepare the sludge-based biochars with immobilized toxic elements and enhanced chemical stability of carbon. Copyright © 2017 Elsevier Ltd. All rights reserved.

Elemental analysis of scorpion venoms.

PubMed

Al-Asmari, AbdulRahman K; Kunnathodi, Faisal; Al Saadon, Khalid; Idris, Mohammed M

2016-01-01

Scorpion venom is a rich source of biomolecules, which can perturb physiological activity of the host on envenomation and may also have a therapeutic potential. Scorpion venoms produced by the columnar cells of venom gland are complex mixture of mucopolysaccharides, neurotoxic peptides and other components. This study was aimed at cataloguing the elemental composition of venoms obtained from medically important scorpions found in the Arabian peninsula. The global elemental composition of the crude venom obtained from Androctonus bicolor, Androctonus crassicauda and Leiurus quinquestriatus scorpions were estimated using ICP-MS analyzer. The study catalogued several chemical elements present in the scorpion venom using ICP-MS total quant analysis and quantitation of nine elements exclusively using appropriate standards. Fifteen chemical elements including sodium, potassium and calcium were found abundantly in the scorpion venom at PPM concentrations. Thirty six chemical elements of different mass ranges were detected in the venom at PPB level. Quantitative analysis of the venoms revealed copper to be the most abundant element in Androctonus sp. venom but at lower level in Leiurus quinquestriatus venom; whereas zinc and manganese was found at higher levels in Leiurus sp. venom but at lower level in Androctonus sp. venom. These data and the concentrations of other different elements present in the various venoms are likely to increase our understanding of the mechanisms of venom activity and their pharmacological potentials.

Transfer of chemical elements from a contaminated estuarine sediment to river water. A leaching assay

NASA Astrophysics Data System (ADS)

Abreu, Manuela; Peres, Sara; Magalhães, M. Clara F.

2014-05-01

Wastes of a former Portuguese steel industry were deposited during 40 years on the left bank of the Coina River, which flows into the estuary of the Tagus River near Lisbon. The aim of this study was to evaluate the release of the chemical elements from the contaminated sediment to the river water. A leaching experiment (four replicates) was performed using 1.6 kg/replicate of sediment from a landfill located in the Coina River bank, forming a lagoon subject to tidal influence. River water coming from this lagoon was collected during low tide. This water (200 mL) was added to the moist sediment, contained in cylindrical reactors, and was collected after 24 h of percolation. The leaching experiments were conducted for 77 days being leachates collected at time zero, after 28, 49 and 77 days with the sediment always moist. The sediment was characterized for: pH, electric conductivity (EC), total organic carbon (TOC), extractable phosphorus and potassium, mineral nitrogen, iron from iron oxides (crystalline and non-crystalline) and manganese oxides. Multi-elemental analysis was also made by ICP-INAA. Leachates and river water were analysed for pH, EC, hydrogencarbonate and sulfatetot by titrations, chloride by potentiometry, and multi-elemental composition by ICP-MS. The sediment presented pH=7.2, EC=18.5 dS/m, TOC=147.8 g/kg, high concentrations of extractable phosphorous (62.8 mg/kg) and potassium (1236.8 mg/kg), mineral nitrogen=11.3 mg/kg. The non-crystalline fraction of iron oxides corresponds to 99% (167.5 g Fe/kg) of the total iron oxides, and manganese from manganese oxides was low (52.7 mg/kg). Sediment is considered contaminated. It contained high concentrations (g/kg) of Zn (2.9), Pb (0.9), Cr (0.59), Cu (0.16), As (0.07), Cd (0.005), and Hg (0.001), which are above Canadian values for marine sediments quality guidelines for protection of aquatic life. River water had: pH=8.2, EC=28.6 dS/m, csulfate=1.23 g/L, and [Cl-]=251.6 mg/L. The concentrations of Cd (0

The Predatory Bird Monitoring Scheme: identifying chemical risks to top predators in Britain.

PubMed

Walker, Lee A; Shore, Richard F; Turk, Anthony; Pereira, M Glória; Best, Jennifer

2008-09-01

The Predatory Bird Monitoring Scheme (PBMS) is a long term (>40 y), UK-wide, exposure monitoring scheme that determines the concentration of selected pesticides and pollutants in the livers and eggs of predatory birds. This paper describes how the PBMS works, and in particular highlights some of the key scientific and policy drivers for monitoring contaminants in predatory birds and describes the specific aims, scope, and methods of the PBMS. We also present previously unpublished data that illustrates how the PBMS has been used to demonstrate the success of mitigation measures in reversing chemical-mediated impacts; identify and evaluate chemical threats to species of high conservation value; and finally to inform and refine monitoring methodologies. In addition, we discuss how such schemes can also address wider conservation needs.

Mobility of plume-derived volcanogenic elements in meteoric water at Nyiragongo volcano (Congo) inferred from the chemical composition of single rainfall events

NASA Astrophysics Data System (ADS)

Liotta, Marcello; Shamavu, Patient; Scaglione, Sarah; D'Alessandro, Walter; Bobrowski, Nicole; Bruno Giuffrida, Giovanni; Tedesco, Dario; Calabrese, Sergio

2017-11-01

The chemical composition of single rainfall events was investigated at Nyiragongo volcano (Democratic Republic of Congo) with the aim of determining the relative contributions of plume-derived elements. The different locations of the sampling sites allowed both plume-affected samples (hereafter referred to as ;fumigated samples;) and samples representative of the local background to be collected. The chemical composition of the local background reflects the peculiar geographic features of the area, being influenced by biomass burning, geogenic dust, and biological activity. Conversely, fumigated samples contain large amounts of volcanogenic elements that can be clearly distinguished from the local background. These elements are released into the atmosphere from the persistently boiling lava lake of the Nyiragongo crater and from the neonate lava lake of Nyamulagira. These emissions result in a volcanic plume that includes solid particles, acidic droplets, and gaseous species. The chemical signature of the volcanic emissions appears in falling raindrops as they interact with the plume. HCl and HBr readily dissolve in water, and so their ratio in rain samples reflects that of the volcanic plume. The transport of HF is mediated by the large amount of silicate particles generated at the magma-air interface. SO2 is partially converted into SO42- that dissolves in water. The refractory elements dissolved in rain samples derive from the dissolution of silicate particles, and most of them (Al, Mg, Ca, and Sr) are present at exactly the same molar ratios as in the rocks. In contrast, elements such as Na, K, Rb, Cu, and Pb are enriched relative to the whole-rock composition, suggesting that they are volatilized during magma degassing. After correcting for the dissolution of silicate particles, we can define that the volatility of the elements decreases in the following order: Pb ≫ Rb > K > Na. This finding, which is the first for a volcanic plume, is consistent with

Electron Spectroscopy for Chemical Analysis (ESCA) study of atmospheric particles

NASA Technical Reports Server (NTRS)

Dillard, J. G.; Seals, R. D.; Wightman, J. P.

1979-01-01

The results of analyses by ESCA (Electron Spectroscopy for Chemical Analysis) on several Nuclepore filters which were exposed during air pollution studies are presented along with correlative measurements by Neutron Activation Analysis and Scanning Electron Microscopy. Samples were exposed during air pollution studies at Norfolk, Virginia and the NASA Kennedy Space Center (KSC). It was demonstrated that with the ESCA technique it was possible to identify the chemical (bonding) state of elements contained in the atmospheric particulate matter collected on Nuclepore filters. Sulfur, nitrogen, mercury, chlorine, alkali, and alkaline earth metal species were identified in the Norfolk samples. ESCA binding energy data for aluminum indicated that three chemically different types of aluminum are present in the launch and background samples from NASA-KSC.

Data from Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors within the ToxCast Phase I and II Chemical Libraries

EPA Pesticide Factsheets

High-throughput screening for potential thyroid-disrupting chemicals requires a system of assays to capture multiple molecular-initiating events (MIEs) that converge on perturbed thyroid hormone (TH) homeostasis. Screening for MIEs specific to TH-disrupting pathways is limited in the U.S. Environmental Protection Agency ToxCast screening assay portfolio. To fill 1 critical screening gap, the Amplex UltraRed-thyroperoxidase (AUR-TPO) assay was developed to identify chemicals that inhibit TPO, as decreased TPO activity reduces TH synthesis. The ToxCast phase I and II chemical libraries, comprised of 1074 unique chemicals, were initially screened using a single, high concentration to identify potential TPO inhibitors. Chemicals positive in the single-concentration screen were retested in concentration-response. Due to high false-positive rates typically observed with loss-of-signal assays such as AUR-TPO, we also employed 2 additional assays in parallel to identify possible sources of nonspecific assay signal loss, enabling stratification of roughly 300 putative TPO inhibitors based upon selective AUR-TPO activity. A cell-free luciferase inhibition assay was used to identify nonspecific enzyme inhibition among the putative TPO inhibitors, and a cytotoxicity assay using a human cell line was used to estimate the cellular tolerance limit. Additionally, the TPO inhibition activities of 150 chemicals were compared between the AUR-TPO and an orthogonal peroxidase oxidat

Identifying new persistent and bioaccumulative organics among chemicals in commerce II: pharmaceuticals.

PubMed

Howard, Philip H; Muir, Derek C G

2011-08-15

The goal of this study was to identify commercial pharmaceuticals that might be persistent and bioaccumulative (P&B) and that were not being considered in current wastewater and aquatic environmental measurement programs. We developed a database of 3193 pharmaceuticals from two U.S. Food and Drug Administration (FDA) databases and some lists of top ranked or selling drugs. Of the 3193 pharmaceuticals, 275 pharmaceuticals have been found in the environment and 399 pharmaceuticals were, based upon production volumes, designated as high production volume (HPV) pharmaceuticals. All pharmaceuticals that had reported chemical structures were evaluated for potential bioaccumulation (B) or persistence (P) using quantitative structure property relationships (QSPR) or scientific judgment. Of the 275 drugs detected in the environment, 92 were rated as potentially bioaccumulative, 121 were rated as potentially persistent, and 99 were HPV pharmaceuticals. After removing the 275 pharmaceuticals previously detected in the environment, 58 HPV compounds were identified that were both P&B and 48 were identified as P only. Of the non-HPV compounds, 364 pharmaceuticals were identified that were P&B. This study has yielded some interesting and probable P&B pharmaceuticals that should be considered for further study.

Epigenomic Elements Analyses for Promoters Identify ESRRG as a New Susceptibility Gene for Obesity-related Traits

PubMed Central

Dong, Shan-Shan; Guo, Yan; Zhu, Dong-Li; Chen, Xiao-Feng; Wu, Xiao-Ming; Shen, Hui; Chen, Xiang-Ding; Tan, Li-Jun; Tian, Qing; Deng, Hong-Wen; Yang, Tie-Lin

2016-01-01

OBJECTIVES With ENCODE epigenomic data and results from published genome-wide association studies (GWASs), we aimed to find regulatory signatures of obesity genes and discover novel susceptibility genes. METHODS Obesity genes were obtained from public GWASs databases and their promoters were annotated based on the regulatory elements information. Significantly enriched or depleted epigenomic elements in the promoters of obesity genes were evaluated and all human genes were then prioritized according to the existence of the selected elements to predict new candidate genes. Top ranked genes were subsequently applied to validate their associations with obesity-related traits in three independent in-house GWASs samples. RESULTS We identified RAD21 and EZH2 as over-represented, STAT2 and IRF3 as depleted transcription factors. Histone modification of H3K9me3 and chromatin state segmentation of “poised promoter” and “repressed” were overrepresented. All genes were prioritized and we selected the top five genes for validation at population level. Combined results from the three GWASs samples, rs7522101 in ESRRG remained significantly associated with BMI after multiple testing corrections (P = 7.25 × 10−5). It was also associated with β-cell function (P = 1.99 × 10−3) and fasting glucose level (P < 0.05) in the meta-analyses of glucose and insulin-related traits consortium (MAGIC) dataset. CONCLUSIONS In summary, we identified epigenomic characteristics for obesity genes and suggested ESRRG as a novel obesity susceptibility gene. PMID:27113491

Determination of low-Z elements in individual environmental particles using windowless EPMA.

PubMed

Ro, C U; Osán, J; Van Grieken, R

1999-04-15

The determination of low-Z elements such as carbon, nitrogen, and oxygen in atmospheric aerosol particles is of interest in studying environmental pollution. Conventional electron probe microanalysis technique has a limitation for the determination of the low-Z elements, mainly because the Be window in an energy-dispersive X-ray (EDX) detector hinders the detection of characteristic X-rays from light elements. The feasibility of low-Z element determination in individual particles using a windowless EDX detector is investigated. To develop a method capable of identifying chemical species of individual particles, both the matrix and the geometric effects of particles have to be evaluated. X-rays of low-Z elements generated by an electron beam are so soft that important matrix effects, mostly due to X-ray absorption, exist even within particles in the micrometer size range. Also, the observed radiation, especially that of light elements, experiences different extents of absorption, depending on the shape and size of the particles. Monte Carlo calculation is applied to explain the variation of observed X-ray intensities according to the geometric and chemical compositional variation of individual particles, at different primary electron beam energies. A comparison is carried out between simulated and experimental data, collected for standard individual particles with chemical compositions as generally observed in marine and continental aerosols. Despite the many fundamental problematic analytical factors involved in the observation of X-rays from low-Z elements, the Monte Carlo calculation proves to be quite reliable to evaluate those matrix and geometric effects. Practical aspects of the Monte Carlo calculation for the determination of light elements in individual particles are also considered.

Trace elements in agroecosystems and impacts on the environment.

PubMed

He, Zhenli L; Yang, Xiaoe E; Stoffella, Peter J

2005-01-01

Trace elements mean elements present at low concentrations (mg kg-1 or less) in agroecosystems. Some trace elements, including copper (Cu), zinc (Zn), manganese (Mn), iron (Fe), molybdenum (Mo), and boron (B) are essential to plant growth and are called micronutrients. Except for B, these elements are also heavy metals, and are toxic to plants at high concentrations. Some trace elements, such as cobalt (Co) and selenium (Se), are not essential to plant growth but are required by animals and human beings. Other trace elements such as cadmium (Cd), lead (Pb), chromium (Cr), nickel (Ni), mercury (Hg), and arsenic (As) have toxic effects on living organisms and are often considered as contaminants. Trace elements in an agroecosystem are either inherited from soil parent materials or inputs through human activities. Soil contamination with heavy metals and toxic elements due to parent materials or point sources often occurs in a limited area and is easy to identify. Repeated use of metal-enriched chemicals, fertilizers, and organic amendments such as sewage sludge as well as wastewater may cause contamination at a large scale. A good example is the increased concentration of Cu and Zn in soils under long-term production of citrus and other fruit crops. Many chemical processes are involved in the transformation of trace elements in soils, but precipitation-dissolution, adsorption-desorption, and complexation are the most important processes controlling bioavailability and mobility of trace elements in soils. Both deficiency and toxicity of trace elements occur in agroecosystems. Application of trace elements in fertilizers is effective in correcting micronutrient deficiencies for crop production, whereas remediation of soils contaminated with metals is still costly and difficult although phytoremediation appears promising as a cost-effective approach. Soil microorganisms are the first living organisms subjected to the impacts of metal contamination. Being responsive and

Chemicals identified in human biological media: a data base. Third annual report, October 1981

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cone, M.V.; Baldauf, M.F.; Martin, F.M.

Data from almost 1600 of the 3800 body-burden documents collected to date have been entered in the data base as of October 1981. The emphasis on including recent literature and significant research documents has resulted in a chronological mix of articles from 1974 to the present. When body-burden articles are identified, data are extracted and entered in the data base by chemical and tissue/body fluid. Each data entry comprises a single record (or line entry) and is assigned a record number. If a particular document deals with more than one chemical and/or tissue, there will be multiple records for thatmore » document. For example, a study of 5 chemicals in each of 3 tissues has 15 different records (or 15 line entries) in the data base with 15 record numbers. Record numbers are assigned consecutively throughout the entire data base and appear in the upper left corner of the first column for each record.« less

Chemical composition studies of flint with different origins

NASA Astrophysics Data System (ADS)

Zarina, Liga; Seglins, Valdis; Kostjukovs, Juris; Burlakovs, Juris

2015-04-01

Flint is a widely used material in the Stone Age because of its physical characteristics, which makes the material suitable for obtaining tools with sharp working edges. Chert, flint, chalcedony, agate and jasper in composition and several other physical characteristics are very similar. Therefore in archaeology most often they are determined simplified and are not distinguished, but described as flint or chert, denoting only the material in a general sense. However, in-depth studies it is necessary accurately identify the rock type and, in addition, to determine the origin of the flint and the conditions of the formation for the various archaeological research needs. As a typical example can be noted the localization problems in determining whether flint is local, or have emerged in the region through the exchange or by transportation. Flint consists mainly from quartz and mostly it has cryptocrystalline or amorphous structure. In nature it occurs as nodules and interbedded inclusions in sedimentary deposits as a result of digenesis processes when calcium carbonate is replaced with silicia. Bedded chert primarily is accumulations originated from excess alkalinity in the sediments. Flint can also be formed in the crystallization processes of the chemically unstable amorphous silicia. In this context, it should be noted that flint is naturally heterogeneous and very varied material by the physical properties and therefore problematic in many contemporary studies. In the study different origin flint samples from England, Denmark and Latvia were compared after their chemical composition. Flint nodules from Northern Europe chalk cliffs formed as inclusions in interbedded deposits or results of the digenesis and samples of chalcedony saturated dolomite from Latvia formed in hydrothermal processes were analysed using XRD and XRF methods. The obtained data were statistically analysed, identifying major, minor and trace elements and subsequently assessing the chemical

Identifying New Candidate Genes and Chemicals Related to Prostate Cancer Using a Hybrid Network and Shortest Path Approach

PubMed Central

Wang, Meng; Wu, Kai; Lu, Changhong; Kong, Xiangyin

2015-01-01

Prostate cancer is a type of cancer that occurs in the male prostate, a gland in the male reproductive system. Because prostate cancer cells may spread to other parts of the body and can influence human reproduction, understanding the mechanisms underlying this disease is critical for designing effective treatments. The identification of as many genes and chemicals related to prostate cancer as possible will enhance our understanding of this disease. In this study, we proposed a computational method to identify new candidate genes and chemicals based on currently known genes and chemicals related to prostate cancer by applying a shortest path approach in a hybrid network. The hybrid network was constructed according to information concerning chemical-chemical interactions, chemical-protein interactions, and protein-protein interactions. Many of the obtained genes and chemicals are associated with prostate cancer. PMID:26504486

Measurement of organic and elemental carbon in downtown Rome and background area: physical behavior and chemical speciation.

PubMed

Avino, Pasquale; Manigrasso, Maurizio; Rosada, Alberto; Dodaro, Alessandro

2015-02-01

A significant portion of the particulate matter is the total carbonaceous fraction (or total carbon, TC), composed of two main fractions, elemental carbon (EC) and organic carbon (OC), which shows a large variety of organic compounds, e.g. aliphatic, aromatic compounds, alcohols, acids, etc. In this paper, TC, EC and OC concentrations determined in a downtown Rome urban area are discussed considering the influence of meteorological conditions on the temporal-spatial aerosol distribution. Similar measurements were performed at ENEA Casaccia, an area outside Rome, which is considered as the ome background. Since 2000, TC, EC and OC measurements have been performed by means of an Ambient Carbon Particulate Monitor equipped with a NDIR detector. The EC and OC concentrations trends are compared with benzene and CO trends, which are specific indicators of autovehicular traffic, for identifying the primary EC and OC contributions and the secondary OC fraction origin. Further, a chemical investigation is reported for investigating how the main organic (i.e., n-alkanes, n-alkanoic acids, polyaromatic hydrocarbons and nitro-polyaromatic hydrocarbons) and inorganic (i.e., metals, ions) fractions vary their levels during the investigated period in relationship to new regulations and/or technological innovations.

Revisit of rare earth element fractionation during chemical weathering and river sediment transport

NASA Astrophysics Data System (ADS)

Su, Ni; Yang, Shouye; Guo, Yulong; Yue, Wei; Wang, Xiaodan; Yin, Ping; Huang, Xiangtong

2017-03-01

Although rare earth element (REE) has been widely applied for provenance study and paleoenvironmental reconstruction, its mobility and fractionation during earth surface processes from weathering to sediment deposition remain more clarification. We investigated the REE fractionations during chemical weathering and river sediment transport based on the systematic observations from a granodiorite-weathering profile and Mulanxi River sediments in southeast China. Two chemical phases (leachates and residues) were separated by 1 N HCl leaching and the leachates account for 20-70% of the bulk REE concentration. REEs in the weathering profile have been mobilized and fractionated to different extents during chemical weathering and pedogenesis. Remarkable cerium anomalies (Ce/Ce* = 0.1-10.6) occur during weathering as a result of coprecipitation with Mn (hydro)oxides in the profile, while poor or no Ce anomalies in the river sediments were observed. This contrasting feature sheds new light on the indication of Ce anomaly for redox change. The hydraulic sorting-induced mineral redistribution can further homogenize the weathering and pedogenic alterations and thus weaken the REE fractionations in river sediments. The mineral assemblage is the ultimate control on REE composition, and the Mn-Fe (hydro)oxides and secondary phosphate minerals are the main hosts of acid-leachable REEs while the clay minerals could be important reservoirs for residual REEs. We thus suggest that the widely used REE proxies such as (LREE/HREE)UCC ratio in the residues is reliable for the indication of sediment provenance, while the ratio in the leachates can indicate the total weathering process to some extent.

A Radiation-Hard Silicon Drift Detector Array for Extraterrestrial Element Mapping

NASA Technical Reports Server (NTRS)

Gaskin, Jessica; Chen, Wei; De Geronimo, Gianluigi; Keister, Jeff; Li, Shaouri; Li, Zhen; Siddons, David P.; Smith, Graham

2011-01-01

Measurement of x-rays from the surface of objects can tell us about the chemical composition Absorption of radiation causes characteristic fluorescence from material being irradiated. By measuring the spectrum of the radiation and identifying lines in the spectrum, the emitting element (s) can be identified. This technique works for any object that has no absorbing atmosphere and significant surface irradiation : Our Moon, the icy moons of Jupiter, the moons of Mars, the planet Mercury, Asteroids and Comets

X-ray Microprobe Investigations of Elemental Distributions and Concentrations at Mineral-Microbe Interfaces

NASA Astrophysics Data System (ADS)

Kemner, K. M.; Kelly, S. D.; O'Loughlin, E. J.; Lai, B.; Maser, J.; Cai, Z.; Londer, Y.; Schiffer, M.; Nealson, K.

2003-12-01

Understanding the fate of heavy-metal contaminants in the environment is of fundamental importance in the development and evaluation of effective remediation and sequestration strategies. Bacteria and the extracellular material associated with them are thought to play a key role in determining a contaminant's speciation and thus its mobility in the environment. Additionally, the metabolism and surface properties of bacteria can be quite different depending upon whether the bacteria exhibit a planktonic (free-floating) or biofilm (surface adhered) habit. The microenvironment at and adjacent to actively metabolizing cells also can be significantly different from the bulk environment. Thus, to understand the microscopic physical, geological, chemical, and biological interfaces that determine a contaminant's macroscopic fate, the spatial distribution and chemical speciation of contaminants and elements that are key to biological processes must be characterized at micron and submicron lengthscales for bacteria in both planktonic and adhered states. Hard x-ray microimaging is a powerful technique for the element-specific investigation of complex environmental samples at the needed micron and submicron resolution. An important advantage of these techniques results from the large penetration depth of hard x-rays in water. This advantage minimizes the requirements for sample preparation and allows the detailed study of hydrated samples. The objectives of the studies to be presented are (1) to determine the spatial distribution, concentration, and chemical speciation of metals at, in, and near bacteria and bacteria-geosurface interfaces, (2) to use this information to identify the metabolic processes occurring within the microbes, and (3) to identify the interactions occurring near these interfaces among the metals, mineral surfaces, and bacteria under a variety of conditions. We have used x-ray fluorescence microscopy to investigate the spatial distribution of 3d elements

Computational Approaches to Identify Promoters and cis-Regulatory Elements in Plant Genomes1

PubMed Central

Rombauts, Stephane; Florquin, Kobe; Lescot, Magali; Marchal, Kathleen; Rouzé, Pierre; Van de Peer, Yves

2003-01-01

The identification of promoters and their regulatory elements is one of the major challenges in bioinformatics and integrates comparative, structural, and functional genomics. Many different approaches have been developed to detect conserved motifs in a set of genes that are either coregulated or orthologous. However, although recent approaches seem promising, in general, unambiguous identification of regulatory elements is not straightforward. The delineation of promoters is even harder, due to its complex nature, and in silico promoter prediction is still in its infancy. Here, we review the different approaches that have been developed for identifying promoters and their regulatory elements. We discuss the detection of cis-acting regulatory elements using word-counting or probabilistic methods (so-called “search by signal” methods) and the delineation of promoters by considering both sequence content and structural features (“search by content” methods). As an example of search by content, we explored in greater detail the association of promoters with CpG islands. However, due to differences in sequence content, the parameters used to detect CpG islands in humans and other vertebrates cannot be used for plants. Therefore, a preliminary attempt was made to define parameters that could possibly define CpG and CpNpG islands in Arabidopsis, by exploring the compositional landscape around the transcriptional start site. To this end, a data set of more than 5,000 gene sequences was built, including the promoter region, the 5′-untranslated region, and the first introns and coding exons. Preliminary analysis shows that promoter location based on the detection of potential CpG/CpNpG islands in the Arabidopsis genome is not straightforward. Nevertheless, because the landscape of CpG/CpNpG islands differs considerably between promoters and introns on the one side and exons (whether coding or not) on the other, more sophisticated approaches can probably be

Epigenomic elements analyses for promoters identify ESRRG as a new susceptibility gene for obesity-related traits.

PubMed

Dong, S-S; Guo, Y; Zhu, D-L; Chen, X-F; Wu, X-M; Shen, H; Chen, X-D; Tan, L-J; Tian, Q; Deng, H-W; Yang, T-L

2016-07-01

With ENCODE epigenomic data and results from published genome-wide association studies (GWASs), we aimed to find regulatory signatures of obesity genes and discover novel susceptibility genes. Obesity genes were obtained from public GWAS databases and their promoters were annotated based on the regulatory element information. Significantly enriched or depleted epigenomic elements in the promoters of obesity genes were evaluated and all human genes were then prioritized according to the existence of the selected elements to predict new candidate genes. Top-ranked genes were subsequently applied to validate their associations with obesity-related traits in three independent in-house GWAS samples. We identified RAD21 and EZH2 as over-represented, and STAT2 (signal transducer and activator of transcription 2) and IRF3 (interferon regulatory transcription factor 3) as depleted transcription factors. Histone modification of H3K9me3 and chromatin state segmentation of 'poised promoter' and 'repressed' were over-represented. All genes were prioritized and we selected the top five genes for validation at the population level. Combining results from the three GWAS samples, rs7522101 in ESRRG (estrogen-related receptor-γ) remained significantly associated with body mass index after multiple testing corrections (P=7.25 × 10(-5)). It was also associated with β-cell function (P=1.99 × 10(-3)) and fasting glucose level (P<0.05) in the meta-analyses of glucose and insulin-related traits consortium (MAGIC) data set.Cnoclusions:In summary, we identified epigenomic characteristics for obesity genes and suggested ESRRG as a novel obesity-susceptibility gene.

The Effect of Risk Factors on the Levels of Chemical Elements in the Tibial Plateau of Patients with Osteoarthritis following Knee Surgery.

PubMed

Lanocha-Arendarczyk, Natalia; Kosik-Bogacka, Danuta Izabela; Prokopowicz, Adam; Kalisinska, Elzbieta; Sokolowski, Sebastian; Karaczun, Maciej; Zietek, Pawel; Podlasińska, Joanna; Pilarczyk, Bogumila; Tomza-Marciniak, Agnieszka; Baranowska-Bosiacka, Irena; Gutowska, Izabela; Safranow, Krzysztof; Chlubek, Dariusz

2015-01-01

The aim of this study was to evaluate the aforementioned chemical elements in tibial plateau samples obtained during knee arthroplasty. The gender-specific analysis of chemical element levels in the bone samples revealed that there were statistically significant differences in the concentration of Pb and Se/Pb ratio. The contents of elements in the tibial plateau in the patients with osteoarthritis (OA) can be arranged in the following descending order: F(-) > K > Zn > Fe > Sr > Pb > Mn > Se > Cd > THg. We observed statistical significant effects of environmental factors including smoking, seafood diet, and geographical distribution on the levels of the elements in tibial bone. Significant positive correlation coefficients were found for the relationships K-Cd, Zn-Sr, Zn-F(-), THg-Pb, Pb-Cd, Se-Se/Pb, Se-Se/Cd, Se/Pb-Se/Cd, Pb-Cd/Ca, Cd-Cd/Ca, and F(-)-F(-)/Ca·1000. Significant negative correlations were found for the relationships THg-Se/Pb, Pb-Se/Pb, Cd-Se/Pb, K-Se/Cd, Pb-Se/Cd, Cd-Se/Cd, THg-Se/THg, Pb-Se/THg, Se-Pb/Cd, Zn-Cd/Ca, and Se/Cd-Cd/Ca. The results reported here may provide a basis for establishing reference values for the tibial plateau in patients with OA who had undergone knee replacement surgery. The concentrations of elements in the bone with OA were determined by age, presence of implants, smoking, fish and seafood diet, and sport activity.

Origin of the biologically important elements.

PubMed

Trimble, V

1997-06-01

The chemical elements most widely distributed in terrestrial living creatures are the ones (apart from inert helium and neon) that are commonest in the Universe--hydrogen, oxygen, carbon, and nitrogen. A chemically different Universe would clearly have different biology, if any. We explore here the nuclear processes in stars, the early Universe, and elsewhere that have produced these common elements, and, while we are at it, also encounter the production of lithium, gold, uranium, and other elements of sociological, if not biological, importance. The relevant processes are, for the most part, well understood. Much less well understood is the overall history of chemical evolution of the Galaxy, from pure hydrogen and helium to the mix of elements we see today. One implication is that we cannot do a very good job of estimating how many stars and which ones might be orbited by habitable planets.

Experimental design and optimization of leaching process for recovery of valuable chemical elements (U, La, V, Mo, Yb and Th) from low-grade uranium ore.

PubMed

Zakrzewska-Koltuniewicz, Grażyna; Herdzik-Koniecko, Irena; Cojocaru, Corneliu; Chajduk, Ewelina

2014-06-30

The paper deals with experimental design and optimization of leaching process of uranium and associated metals from low-grade, Polish ores. The chemical elements of interest for extraction from the ore were U, La, V, Mo, Yb and Th. Sulphuric acid has been used as leaching reagent. Based on the design of experiments the second-order regression models have been constructed to approximate the leaching efficiency of elements. The graphical illustrations using 3-D surface plots have been employed in order to identify the main, quadratic and interaction effects of the factors. The multi-objective optimization method based on desirability approach has been applied in this study. The optimum condition have been determined as P=5 bar, T=120 °C and t=90 min. Under these optimal conditions, the overall extraction performance is 81.43% (for U), 64.24% (for La), 98.38% (for V), 43.69% (for Yb) and 76.89% (for Mo) and 97.00% (for Th). Copyright © 2014 Elsevier B.V. All rights reserved.

Sound velocity of iron-light element compounds and the chemical structure of the inner core

NASA Astrophysics Data System (ADS)

Ohtani, E.; Sakamaki, T.; Fukui, H.; Tanaka, R.; Shibazaki, Y.; Kamada, S.; Sakairi, T.; Takahashi, S.; Tsutsui, S.; Baron, A. Q. R.

2016-12-01

The light elements in the core could constrain the conditions of accretion, subsequent magma ocean, and core formation stages of the Earth. There are several studies for sound velocity measurements of the iron-light elements alloys. However, the measurements are not enough to constrain the light element abundance in the core tightly at present due to inter-laboratory inconsistencies using different methods which are originated from the difficulties to make such measurements under the extreme conditions. We measured the sound velocity of iron alloy compounds at high pressure and temperature relevant to the Earth's core using double-sided laser heating of a DAC combined with inelastic X-ray scattering at SPring-8. We measured the compressional velocity of hcp-Fe up to 166 GPa and 3000 K, and derived a clear temperature dependence of the Birch's law for hcp-Fe. We measured the compressional velocity of Fe0.89Si0.11 alloy and Fe3C at high pressure and temperature, and we could not detect temperature dependency in Birch's law in these compounds. Additionally, we measured the sound velocity of Fe3S, Fe0.83Ni0.09Si0.08 alloy, and FeH at high pressure. Combining our new data set which showed remarkable differences from previous data on the sound velocity, we present a model of the chemical structure of the inner core. The outer core composition was also estimated based on partitioning behaviors of these light elements between solid and liquid iron alloys under the core conditions.

USE OF BIOASSAY-DIRECTED CHEMICAL ANALYSIS FOR IDENTIFYING MUTAGENIC COMPOUNDS IN URBAN AIR AND COMBUSTION EMISSIONS

EPA Science Inventory

Bioassay-directed chemical analysis fractionation has been used for 30 years to identify mutagenic classes of compounds in complex mixtures. Most studies have used the Salmonella (Ames) mutagenicity assay, and we have recently applied this methodology to two standard reference sa...

A Differential Chemical Element Analysis of the Metal-poor Globular Cluster NGC 6397

NASA Astrophysics Data System (ADS)

Koch, Andreas; McWilliam, Andrew

2011-08-01

We present chemical abundances in three red giants and two turnoff (TO) stars in the metal-poor Galactic globular cluster (GC) NGC 6397 based on spectroscopy obtained with the Magellan Inamori Kyocera Echelle high-resolution spectrograph on the Magellan 6.5 m Clay telescope. Our results are based on a line-by-line differential abundance analysis relative to the well-studied red giant Arcturus and the Galactic halo field star Hip 66815. At a mean of -2.10 ± 0.02 (stat.) ±0.07 (sys.), the differential iron abundance is in good agreement with other studies in the literature based on gf-values. As in previous differential works we find a distinct departure from ionization equilibrium in that the abundances of Fe I and Fe II differ by ~0.1 dex, with opposite signs for the red giant branch (RGB) and TO stars. The α-element ratios are enhanced to 0.4 (RGB) and 0.3 dex (TO), respectively, and we also confirm strong variations in the O, Na, and Al/Fe abundance ratios. Accordingly, the light-element abundance patterns in one of the red giants can be attributed to pollution by an early generation of massive Type II supernovae. TO and RGB abundances are not significantly different, with the possible exception of Mg and Ti, which are, however, amplified by the patterns in one TO star additionally belonging to this early generation of GC stars. We discuss interrelations of these light elements as a function of the GC metallicity. This paper includes data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

[The determination of the natural content of chemical elements in human biological objects (liver, kidney, stomach) by mass spectrometry with inductively coupled plasma].

PubMed

Luzanova, I S; Svetlolobov, D Iu; Zorin, Iu V

2014-01-01

The objective of the present work was to continue the studies of the sites of concentration of the chemical elements corresponding to normal homeostasis in human biological objects by mass spectrometry with inductively coupled plasma. The study yielded the data on the natural content of 27 elements in the cadaveric liver, kidney, and stomach. It is recommended to use these findings as the reference parameters corresponding to normal homeostasis.

System and method for preconcentrating, identifying, and quantifying chemical and biological substances

DOEpatents

Yu, Conrad M.; Koo, Jackson C.

2000-01-01

A system and method for preconcentrating, identifying, and quantifying chemical and biological substances is disclosed. An input valve directs a first volume of a sample gas to a surface acoustic wave (SAW) device. The SAW device preconcentrates and detects a mass of a substance within the sample gas. An output valve receives a second volume of the sample gas containing the preconcentrated substance from the SAW device and directs the second volume to a gas chromatograph (GC). The GC identifies the preconcentrated substance within the sample gas. A shunt valve exhausts a volume of the sample gas equal to the first volume minus the second volume away from the SAW device and the GC. The method of the present invention includes the steps of opening an input valve for passing a first volume of a sample gas to a SAW device; preconcentrating and detecting a mass of a substance within the sample gas using the SAW device; opening an output valve for passing a second volume of the sample gas containing the preconcentrated substance to a gas chromatograph (GC); and then identifying the preconcentrated substance within the sample gas using the GC.

Neurotoxic Doses of Chronic Methamphetamine Trigger Retrotransposition of the Identifier Element in Rat Dorsal Dentate Gyrus

PubMed Central

Moszczynska, Anna; Burghardt, Kyle J.; Yu, Dongyue

2017-01-01

Short interspersed elements (SINEs) are typically silenced by DNA hypermethylation in somatic cells, but can retrotranspose in proliferating cells during adult neurogenesis. Hypomethylation caused by disease pathology or genotoxic stress leads to genomic instability of SINEs. The goal of the present investigation was to determine whether neurotoxic doses of binge or chronic methamphetamine (METH) trigger retrotransposition of the identifier (ID) element, a member of the rat SINE family, in the dentate gyrus genomic DNA. Adult male Sprague-Dawley rats were treated with saline or high doses of binge or chronic METH and sacrificed at three different time points thereafter. DNA methylation analysis, immunohistochemistry and next-generation sequencing (NGS) were performed on the dorsal dentate gyrus samples. Binge METH triggered hypomethylation, while chronic METH triggered hypermethylation of the CpG-2 site. Both METH regimens were associated with increased intensities in poly(A)-binding protein 1 (PABP1, a SINE regulatory protein)-like immunohistochemical staining in the dentate gyrus. The amplification of several ID element sequences was significantly higher in the chronic METH group than in the control group a week after METH, and they mapped to genes coding for proteins regulating cell growth and proliferation, transcription, protein function as well as for a variety of transporters. The results suggest that chronic METH induces ID element retrotransposition in the dorsal dentate gyrus and may affect hippocampal neurogenesis. PMID:28272323

Attempts to identify a control system for chemical reactivity in the living state using virtual energy.

PubMed

Reid, B L; Bourke, C

2001-07-01

This thesis explores the activation of chemicals in metabolic systems from the viewpoint that this activation is under the control of elements of the space-sea in which the chemicals are immersed. Themselves inert, the chemicals are theorised to exploit a force or action issuing from space (fluctuation) and characterized by the homogeneity (termed symmetry) of this medium. The fluctuation is heterogenized upon collision with matter from the intervention of well recognized fields of gravity and electromagnetism at the instant of its issue to form the near field of radiation. Fractions of original space waves and of their intrinsic spin are produced resulting in the activation of the orbitals (valency) in the chemical itself. The thesis continues: the disturbed fluctuation must return to space, obliging in turn, a prior return to the homogeneous state requiring special restorative wave rearrangements known as resonance. The success of the restorative resonance is signalled by a singularity of the fluctuation now propelled to infinity (space), and the contingent chemical reactions thereby terminated. Compromise to this return can occur from many causes and, in its presence, activation of the orbitals continues. They now effectively constitute autonomous reactions alienated from the system as a whole. The thesis is supported from evidence from diverse fields such as space theory, history of quantum field theory in attempts to derive its meaning, dielectrics and the near field of electromagnetic radiation, electron-space interactions at the Fermi surface during phase transitions and evolution of equilibrium conditions in resonance phenomena. The utility of the hypothesis rests on recognition of the resonance condition at various points in the system sufficiently macroscopic as to be available clinically as an abrupt interface between physiology and pathology. Copyright 2001 Harcourt Publishers Ltd.

The value of structured data elements from electronic health records for identifying subjects for primary care clinical trials.

PubMed

Ateya, Mohammad B; Delaney, Brendan C; Speedie, Stuart M

2016-01-11

An increasing number of clinical trials are conducted in primary care settings. Making better use of existing data in the electronic health records to identify eligible subjects can improve efficiency of such studies. Our study aims to quantify the proportion of eligibility criteria that can be addressed with data in electronic health records and to compare the content of eligibility criteria in primary care with previous work. Eligibility criteria were extracted from primary care studies downloaded from the UK Clinical Research Network Study Portfolio. Criteria were broken into elemental statements. Two expert independent raters classified each statement based on whether or not structured data items in the electronic health record can be used to determine if the statement was true for a specific patient. Disagreements in classification were discussed until 100 % agreement was reached. Statements were also classified based on content and the percentages of each category were compared to two similar studies reported in the literature. Eligibility criteria were retrieved from 228 studies and decomposed into 2619 criteria elemental statements. 74 % of the criteria elemental statements were considered likely associated with structured data in an electronic health record. 79 % of the studies had at least 60 % of their criteria statements addressable with structured data likely to be present in an electronic health record. Based on clinical content, most frequent categories were: "disease, symptom, and sign", "therapy or surgery", and "medication" (36 %, 13 %, and 10 % of total criteria statements respectively). We also identified new criteria categories related to provider and caregiver attributes (2.6 % and 1 % of total criteria statements respectively). Electronic health records readily contain much of the data needed to assess patients' eligibility for clinical trials enrollment. Eligibility criteria content categories identified by our study can be

The chemical behavior of the transuranic elements and the barrier function in natural aquifer systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jewett, J.R.

1997-09-17

In a geological repository for long-lived radioactive wastes, such as actinides and certain fission products, most of the stored radionuclides remain immobile in the particular geological formation. If any of these could possibly become mobile, only trace concentrations of a few radionuclides would result. Nevertheless, with an inventory in the repository of many tonnes of transuranic elements, the amounts that could disperse cannot be neglected. A critical assessment of the chemical behavior of these nuclides, especially their migration properties in the aquifer system around the repository site, is mandatory for analysis of the long-term safety. The chemistry requited for thismore » includes many geochemical multicomponent reactions that are so far only partially understood and [which] therefore can be quantified only incompletely. A few of these reactions have been discussed in this paper based on present knowledge. If a comprehensive discussion of the subject is impossible because of this [lack of information], then an attempt to emphasize the importance of the predominant geochemical reactions of the transuranic elements in various aquifer systems should be made.« less

Controlled chemical modification of the internal surface of photonic crystal fibers for application as biosensitive elements

NASA Astrophysics Data System (ADS)

Pidenko, Sergey A.; Burmistrova, Natalia A.; Pidenko, Pavel S.; Shuvalov, Andrey A.; Chibrova, Anastasiya A.; Skibina, Yulia S.; Goryacheva, Irina Y.

2016-10-01

Photonic crystal fibers (PCF) are one of the most promising materials for creation of constructive elements for bio-, drug and contaminant sensing based on unique optical properties of the PCF as effective nanosized optical signal collectors. In order to provide efficient and controllable binding of biomolecules, the internal surface of glass hollow core photonic crystal fibers (HC-PCF) has been chemically modified with silanol groups and functionalized with (3-aminopropyl) triethoxysilane (APTES). The shift of local maxima in the HC-PCF transmission spectrum has been selected as a signal for estimating the amount of silanol groups on the HC-PCF inner surface. The relationship between amount of silanol groups on the HC-PCF inner surface and efficiency of following APTES functionalization has been evaluated. Covalent binding of horseradish peroxidase (chosen as a model protein) on functionalized PCF inner surface has been performed successively, thus verifying the possibility of creating a biosensitive element.

Constrained positive matrix factorization: Elemental ratios, spatial distinction, and chemical transport model source contributions

NASA Astrophysics Data System (ADS)

Sturtz, Timothy M.

Source apportionment models attempt to untangle the relationship between pollution sources and the impacts at downwind receptors. Two frameworks of source apportionment models exist: source-oriented and receptor-oriented. Source based apportionment models use presumed emissions and atmospheric processes to estimate the downwind source contributions. Conversely, receptor based models leverage speciated concentration data from downwind receptors and apply statistical methods to predict source contributions. Integration of both source-oriented and receptor-oriented models could lead to a better understanding of the implications sources have on the environment and society. The research presented here investigated three different types of constraints applied to the Positive Matrix Factorization (PMF) receptor model within the framework of the Multilinear Engine (ME-2): element ratio constraints, spatial separation constraints, and chemical transport model (CTM) source attribution constraints. PM10-2.5 mass and trace element concentrations were measured in Winston-Salem, Chicago, and St. Paul at up to 60 sites per city during two different seasons in 2010. PMF was used to explore the underlying sources of variability. Information on previously reported PM10-2.5 tire and brake wear profiles were used to constrain these features in PMF by prior specification of selected species ratios. We also modified PMF to allow for combining the measurements from all three cities into a single model while preserving city-specific soil features. Relatively minor differences were observed between model predictions with and without the prior ratio constraints, increasing confidence in our ability to identify separate brake wear and tire wear features. Using separate data, source contributions to total fine particle carbon predicted by a CTM were incorporated into the PMF receptor model to form a receptor-oriented hybrid model. The level of influence of the CTM versus traditional PMF was

Mapping elemental contamination on Palmyra Atoll National Wildlife Refuge

USGS Publications Warehouse

Struckhoff, Matthew A.; Orazio, Carl E.; Tillitt, Donald E.; Shaver, David K.; Papoulias, Diana M.

2018-01-01

Palmyra Atoll, once a WWII U.S. Navy air station, is now a U.S. National Wildlife Refuge with nearly 50 km2 of coral reef and 275 ha of emergent lands with forests of Pisonia grandistrees and colonies of several bird species. Due to the known elemental and organic contamination from chemicals associated with aviation, power generation and transmission, waste management, and other air station activities, a screening survey to map elemental concentrations was conducted. A map of 1944 Navy facilities was georeferenced and identifiable features were digitized. These data informed a targeted survey of 25 elements in soils and sediment at locations known or suspected to be contaminated, using a hand-held X-ray fluorescence spectrometer. At dozens of locations, concentrations of elements exceeded established soil and marine sediment thresholds for adverse ecological effects. Results were compiled into a publically available geospatial dataset to inform potential remediation and habitat restoration activities.

Mapping elemental contamination on Palmyra Atoll National Wildlife Refuge.

PubMed

Struckhoff, Matthew A; Orazio, Carl E; Tillitt, Donald E; Shaver, David K; Papoulias, Diana M

2018-03-01

Palmyra Atoll, once a WWII U.S. Navy air station, is now a U.S. National Wildlife Refuge with nearly 50km 2 of coral reef and 275ha of emergent lands with forests of Pisonia grandis trees and colonies of several bird species. Due to the known elemental and organic contamination from chemicals associated with aviation, power generation and transmission, waste management, and other air station activities, a screening survey to map elemental concentrations was conducted. A map of 1944 Navy facilities was georeferenced and identifiable features were digitized. These data informed a targeted survey of 25 elements in soils and sediment at locations known or suspected to be contaminated, using a hand-held X-ray fluorescence spectrometer. At dozens of locations, concentrations of elements exceeded established soil and marine sediment thresholds for adverse ecological effects. Results were compiled into a publically available geospatial dataset to inform potential remediation and habitat restoration activities. Published by Elsevier Ltd.

Unobtainium? Critical Elements for New Energy Technologies

NASA Astrophysics Data System (ADS)

Jaffe, Robert

2011-03-01

I will report on a recently completed study jointly sponsored by the APS Panel on Public Affairs (POPA) and the Material Research Society (MRS). The twin pressures of increasing demand for energy and increasing concern about anthropogenic climate change have stimulated research into new sources of energy and novel ways to harvest, transmit, store, transform or conserve it. At the same time, advances in physics, chemistry, and material science have enabled researchers to identify chemical elements with properties that can be finely tuned to their specific needs and to employ them in new energy-related technologies. Elements like dysprosium, gallium, germanium, indium, lanthanum, neodymium, rhenium, or tellurium, which were once laboratory curiosities, now figure centrally when novel energy systems are discussed. Many of these elements are not at present mined, refined, or traded in large quantities. However new technologies can only impact our energy needs if they can be scaled from laboratory, to demonstration, to massive implementation. As a result, some previously unfamiliar elements will be needed in great quantities. We refer to these elements as energy-critical elements (ECEs). Although the technologies in which they are employed and their abundance in the Earth's crust vary greatly, ECEs have many features in common. The purpose of the POPA/MRS study was to evaluate constraints on availability of energy-critical elements and to make recommendations that can help avoid these obstructions.

A chemical screen for medulloblastoma identifies quercetin as a putative radiosensitizer.

PubMed

Lagerweij, Tonny; Hiddingh, Lotte; Biesmans, Dennis; Crommentuijn, Matheus H W; Cloos, Jacqueline; Li, Xiao-Nan; Kogiso, Mari; Tannous, Bakhos A; Vandertop, W Peter; Noske, David P; Kaspers, Gertjan J L; Würdinger, Tom; Hulleman, Esther

2016-06-14

Treatment of medulloblastoma in children fails in approximately 30% of patients, and is often accompanied by severe late sequelae. Therefore, more effective drugs are needed that spare normal tissue and diminish long-term side effects. Since radiotherapy plays a pivotal role in the treatment of medulloblastoma, we set out to identify novel drugs that could potentiate the effect of ionizing radiation.Thereto, a small molecule library, consisting of 960 chemical compounds, was screened for its ability to sensitize towards irradiation. This small molecule screen identified the flavonoid quercetin as a novel radiosensitizer for the medulloblastoma cell lines DAOY, D283-med, and, to a lesser extent, D458-med at low micromolar concentrations and irradiation doses used in fractionated radiation schemes. Quercetin did not affect the proliferation of neural precursor cells or normal human fibroblasts. Importantly, in vivo experiments confirmed the radiosensitizing properties of quercetin. Administration of this flavonoid at the time of irradiation significantly prolonged survival in orthotopically xenografted mice. Together, these findings indicate that quercetin is a potent radiosensitizer for medulloblastoma cells that may be a promising lead for the treatment of medulloblastoma in patients.

Identifying Rhodamine Dye Plume Sources in Near-Shore Oceanic Environments by Integration of Chemical and Visual Sensors

PubMed Central

Tian, Yu; Kang, Xiaodong; Li, Yunyi; Li, Wei; Zhang, Aiqun; Yu, Jiangchen; Li, Yiping

2013-01-01

This article presents a strategy for identifying the source location of a chemical plume in near-shore oceanic environments where the plume is developed under the influence of turbulence, tides and waves. This strategy includes two modules: source declaration (or identification) and source verification embedded in a subsumption architecture. Algorithms for source identification are derived from the moth-inspired plume tracing strategies based on a chemical sensor. The in-water test missions, conducted in November 2002 at San Clemente Island (California, USA) in June 2003 in Duck (North Carolina, USA) and in October 2010 at Dalian Bay (China), successfully identified the source locations after autonomous underwater vehicles tracked the rhodamine dye plumes with a significant meander over 100 meters. The objective of the verification module is to verify the declared plume source using a visual sensor. Because images taken in near shore oceanic environments are very vague and colors in the images are not well-defined, we adopt a fuzzy color extractor to segment the color components and recognize the chemical plume and its source by measuring color similarity. The source verification module is tested by images taken during the CPT missions. PMID:23507823

First chemical separation and identification of Seaborgium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tuerler, A.; Eichler, B.; Jost, D.T.

1997-12-31

The chemical properties of element 106 (Seaborgium, Sg) were successfully studied using the On-line Gas Chromatography Apparatus (OLGA III). After chemical separation of Sg in the form of volatile oxichlorides the nuclides {sup 265}Sg and {sup 266}Sg were unambiguously identified and their half-lives were determined for the first time. The Sg nuclides were produced from the {sup 248}Cm({sup 22}Ne, 4,5n){sup 266,265}Sg reaction at the GSI Darmstadt UNILAC accelerator. Simultaneously, short-lived W nuclides were produced from a small admixture of {sup 152}Gd to the Cm target material. As predicted by relativistic calculations and by extrapolations of chemical properties, it was demonstratedmore » that Sg oxichlorides are indeed less volatile than their lighter homologue W- and Mo-oxichlorides.« less

Origin and Evolution of the Elements

NASA Astrophysics Data System (ADS)

McWilliam, Andrew; Rauch, Michael

2004-09-01

Introduction; List of participants; 1. Mount Wilson Observatory contributions to the study of cosmic abundances of the chemical elements George W. Preston; 2. Synthesis of the elements in stars: B2FH and beyond E. Margaret Burbidge; 3. Stellar nucleosynthesis: a status report 2003 David Arnett; 4. Advances in r-process nucleosynthesis John J. Cowan and Christopher Sneden; 5. Element yields of intermediate-mass stars Richard B. C. Henry; 6. The impact of rotation on chemical abundances in red giant branch stars Corinne Charbonnel; 7. s-processing in AGB stars and the composition of carbon stars Maurizio Busso, Oscar Straniero, Roberto Gallino, and Carlos Abia; 8. Models of chemical evolution Francesca Matteucci; 9. Model atmospheres and stellar abundance analysis Bengt Gustafsson; 10. The light elements: lithium, beryllium, and boron Ann Merchant Boesgaard; 11. Extremely metal-poor stars John E. Norris; 12. Thin and thick galactic disks Poul E. Nissen; 13. Globular clusters and halo field stars Christopher Sneden, Inese I. Ivans and Jon P. Fulbright; 14. Chemical evolution in ω Centauri Verne V. Smith; 15. Chemical composition of the Magellanic Clouds, from young to old stars Vanessa Hill; 16. Detailed composition of stars in dwarf spheroidal galaxies Matthew D. Shetrone; 17. The evolutionary history of Local Group irregular galaxies Eva K. Grebel; 18. Chemical evolution of the old stellar populations of M31 R. Michael Rich; 19. Stellar winds of hot massive stars nearby and beyond the Local Group Fabio Bresolin and Rolf P. Kudritzki; 20. Presolar stardust grains Donald D. Clayton and Larry R. Nittler; 21. Interstellar dust B. T. Draine; 22. Interstellar atomic abundances Edward B. Jenkins; 23. Molecules in the interstellar medium Tommy Wiklind; 24. Metal ejection by galactic winds Crystal L. Martin; 25. Abundances from the integrated light of globular clusters and galaxies Scott C. Trager; 26. Abundances in spiral and irregular galaxies Donald R. Garnett; 27

The New Element Berkelium (Atomic Number 97)

DOE R&D Accomplishments Database

Seaborg, G. T.; Thompson, S. G.; Ghiorso, A.

1950-04-26

An isotope of the element with atomic number 97 has been discovered as a product of the helium-ion bombardment of americium. The name berkelium, symbol Bk, is proposed for element 97. The chemical separation of element 97 from the target material and other reaction products was made by combinations of precipitation and ion exchange adsorption methods making use of its anticipated (III) and (IV) oxidation states and its position as a member of the actinide transition series. The distinctive chemical properties made use of in its separation and the equally distinctive decay properties of the particular isotope constitute the principal evidence for the new element.

Elemental and chemical characterization of dolphin enamel and dentine using X-ray and Raman microanalyzes (Cetacea: Delphinoidea and Inioidea).

PubMed

Loch, Carolina; Swain, Michael V; Fraser, Sara J; Gordon, Keith C; Kieser, Jules A; Fordyce, R Ewan

2014-01-01

Dolphins show increased tooth number and simplified tooth shape compared to most mammals, together with a simpler ultrastructural organization and less demanding biomechanical function. However, it is unknown if these factors are also reflected in the chemical composition of their teeth. Here, the bulk chemical composition and elemental distribution in enamel and dentine of extant dolphins were characterized and interpreted using X-ray and spectroscopy techniques. Teeth of 10 species of Delphinida were analyzed by WDX, EDX and Raman spectroscopy. For most of the species sampled, the mineral content was higher in enamel than in dentine, increasing from inner towards outer enamel. The transition from dentine to enamel was marked by an increase in concentration of the major components Ca and P, but also in Na and Cl. Mg decreased from dentine to enamel. Concentrations of Sr and F were often low and below detection limits, but F peaked at the outer enamel region for some species. Raman spectroscopy analyzes showed characteristics similar to carbonated hydroxyapatite, with the strongest peak for the phosphate PO4(3-) stretching mode at 960-961cm(-1). Dentine samples revealed a higher diversity of peaks representative of organic components and proteins than enamel. The similar distribution pattern and small variation in average concentration of major and minor elements in dentine and enamel of dolphins suggest that they are subject to strong physiological control. A clear trend of the elemental variations for all dolphin species sampled suggests that the general pattern of tooth chemistry is conserved among the Mammalia. Copyright © 2013 Elsevier Inc. All rights reserved.

Chemical evolution with rotating massive star yields - I. The solar neighbourhood and the s-process elements

NASA Astrophysics Data System (ADS)

Prantzos, N.; Abia, C.; Limongi, M.; Chieffi, A.; Cristallo, S.

2018-05-01

We present a comprehensive study of the abundance evolution of the elements from H to U in the Milky Way halo and local disc. We use a consistent chemical evolution model, metallicity-dependent isotopic yields from low and intermediate mass stars and yields from massive stars which include, for the first time, the combined effect of metallicity, mass loss, and rotation for a large grid of stellar masses and for all stages of stellar evolution. The yields of massive stars are weighted by a metallicity-dependent function of the rotational velocities, constrained by observations as to obtain a primary-like 14N behaviour at low metallicity and to avoid overproduction of s-elements at intermediate metallicities. We show that the Solar system isotopic composition can be reproduced to better than a factor of 2 for isotopes up to the Fe-peak, and at the 10 per cent level for most pure s-isotopes, both light ones (resulting from the weak s-process in rotating massive stars) and the heavy ones (resulting from the main s-process in low and intermediate mass stars). We conclude that the light element primary process (LEPP), invoked to explain the apparent abundance deficiency of the s-elements with A < 100, is not necessary. We also reproduce the evolution of the heavy to light s-elements abundance ratio ([hs/ls]) - recently observed in unevolved thin disc stars - as a result of the contribution of rotating massive stars at sub-solar metallicities. We find that those stars produce primary F and dominate its solar abundance and we confirm their role in the observed primary behaviour of N. In contrast, we show that their action is insufficient to explain the small observed values of ^{12}C/^{13}C in halo red giants, which is rather due to internal processes in those stars.

Profiling of the Tox21 Chemical Collection for Mitochondrial Function to Identify Compounds that Acutely Decrease Mitochondrial Membrane Potential

PubMed Central

Attene-Ramos, Matias S.; Huang, Ruili; Michael, Sam; Witt, Kristine L.; Richard, Ann; Tice, Raymond R.; Simeonov, Anton; Austin, Christopher P.

2014-01-01

Background: Mitochondrial dysfunction has been implicated in the pathogenesis of a variety of disorders including cancer, diabetes, and neurodegenerative and cardiovascular diseases. Understanding whether different environmental chemicals and druglike molecules impact mitochondrial function represents an initial step in predicting exposure-related toxicity and defining a possible role for such compounds in the onset of various diseases. Objectives: We sought to identify individual chemicals and general structural features associated with changes in mitochondrial membrane potential (MMP). Methods: We used a multiplexed [two end points in one screen; MMP and adenosine triphosphate (ATP) content] quantitative high throughput screening (qHTS) approach combined with informatics tools to screen the Tox21 library of 10,000 compounds (~ 8,300 unique chemicals) at 15 concentrations each in triplicate to identify chemicals and structural features that are associated with changes in MMP in HepG2 cells. Results: Approximately 11% of the compounds (913 unique compounds) decreased MMP after 1 hr of treatment without affecting cell viability (ATP content). In addition, 309 compounds decreased MMP over a concentration range that also produced measurable cytotoxicity [half maximal inhibitory concentration (IC50) in MMP assay/IC50 in viability assay ≤ 3; p < 0.05]. More than 11% of the structural clusters that constitute the Tox21 library (76 of 651 clusters) were significantly enriched for compounds that decreased the MMP. Conclusions: Our multiplexed qHTS approach allowed us to generate a robust and reliable data set to evaluate the ability of thousands of drugs and environmental compounds to decrease MMP. The use of structure-based clustering analysis allowed us to identify molecular features that are likely responsible for the observed activity. Citation: Attene-Ramos MS, Huang R, Michael S, Witt KL, Richard A, Tice RR, Simeonov A, Austin CP, Xia M. 2015. Profiling of the Tox

Study on the elemental features of ancient Chinese white porcelain at Jingdezhen by INAA

NASA Astrophysics Data System (ADS)

Xie, Guoxi; Feng, Songlin; Feng, Xiangqian; Li, Yongqiang; Han, Hongye; Wang, Yanqing; Zhu, Jihao; Yan, Lingtong; Li, Li

2009-03-01

Shards of ancient Chinese white porcelain, which were excavated at Maojiawan in the city of Beijing, were analyzed by instrumental neutron activation analysis (INAA). These shards were fired in the period between the Yuan (AD 1271-1368) and Ming (AD 1368-1644) dynasties at Jingdezhen in southern China. According to the analytical results, different raw materials were used for making porcelain body in this period. Fe and Na are the characteristic elements which can be used for identifying the specific date of these porcelains. Furthermore, shards of Hongwu era (AD 1368-1398), Yongle-Xuande era (AD 1403-1435) and Chenghua-Zhengde era (AD 1465-1561) of the Ming dynasty can be clearly distinguished by their elemental body composition. The temporal chemical variation in the porcelain body of these eras is observed. The elemental body composition of Zhengde-Tianshun era (AD 1436-1464) is mainly similar to that of the Hongwu and Yongle-Xuande eras. The temporal chemical feature of Zhengtong-Tianshun era was not found.

The History and Use of Our Earth's Chemical Elements: A Reference Guide (by Robert E. Krebs)

NASA Astrophysics Data System (ADS)

Bracken, Reviewed By Jeffrey D.

1999-04-01

Greenwood Press: Westport, CT, 1998. 282 pp + 25 pp glossary + 37 pp index. 15.9 x 24.1 cm. ISBN 0-313-30123-9. $39.95. This book is an excellent resource for chemical educators at the high school and college levels. The format of the text is consistent and the writing style is clear and concise, making it ideally suited for student use also. The first three chapters serve to introduce the reader to a brief history of chemistry, early models of the atom, and the development of the periodic table. Names of the contributing scientists are mentioned whenever necessary, but the overall purpose of these introductory chapters is simply to lay a foundation for the subsequent seven chapters. A complete glossary of important scientific terms mentioned in the text should allow beginning students to use this book without feeling overwhelmed. Each entry for the 112 elements contains the following information: elemental symbol, atomic number, period, common valence, atomic weight, natural state, common isotopes, properties, characteristics, abundance, natural sources, history, common uses and compounds, and safety hazards. This information is well organized, with clear headings and separate sections making the book extremely user-friendly. Readers can easily obtain the information they desire without having to skim the full entry for a chosen element. One very nice feature of this book is that the elements entries are arranged by their locations in the periodic table. For example, chapter 4 contains the alkali metals and alkaline earth metals. This organizational scheme allows one to quickly see the patterns and trends within groups of elements. This format is significantly better than arranging the elements in alphabetical order, which places the entry for sodium far removed from the entries for lithium and potassium. I would highly recommend this book to high school teachers and college chemistry professors. It is well written and is an excellent source of information for

Thermodynamic analysis of chemical compatibility of several compounds with Fe-Cr-Al alloys

NASA Technical Reports Server (NTRS)

Misra, Ajay K.

1993-01-01

Chemical compatibility between Fe-19.8Cr-4.8Al (weight percent), which is the base composition for the commercial superalloy MA956, and several carbides, borides, nitrides, oxides, and silicides was analyzed from thermodynamic considerations. The effect of addition of minor alloying elements, such as Ti, Y, and Y2O3, to the Fe-Cr-Al alloy on chemical compatibility between the alloy and various compounds was also analyzed. Several chemically compatible compounds that can be potential reinforcement materials and/or interface coating materials for Fe-Cr-Al based composites were identified.

Mercury, elemental

Integrated Risk Information System (IRIS)

Mercury , elemental ; CASRN 7439 - 97 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinoge

Identifying Hazards

EPA Pesticide Factsheets

The federal government has established a system of labeling hazardous materials to help identify the type of material and threat posed. Summaries of information on over 300 chemicals are maintained in the Envirofacts Master Chemical Integrator.

Physical-chemical treatment of wastes: a way to close turnover of elements in LSS

NASA Astrophysics Data System (ADS)

Kudenko, Yu A.; Gribovskaya, I. V.; Zolotukhin, I. G.

2000-05-01

"Man-plants-physical-chemical unit" system designed for space stations or terrestrial ecohabitats to close steady-state mineral, water and gas exchange is proposed. The physical-chemical unit is to mineralize all inedible plant wastes and physiological human wastes (feces, urine, gray water) by electromagnetically activated hydrogen peroxide in an oxidation reactor. The final product is a mineralized solution containing all elements balanced for plants' requirements. The solution has been successfully used in experiments to grow wheat, beans and radish. The solution was reusable: the evaporated moisture was replenished by the phytotron condensate. Sodium salination of plants was precluded by evaporating reactor-mineralized urine to sodium saturation concentration to crystallize out NaCl which can be used as food for the crew. The remaining mineralized product was brought back for nutrition of plants. The gas composition of the reactor comprises O 2, N 2, CO 2, NH 3, H 2. At the reactor's output hydrogen and oxygen were catalyzed into water, NH 3 was converted in a water trap into NH 4 and used for nutrition of plants. A special accessory at the reactor's output may produce hydrogen peroxide from intrasystem water and gas which makes possible to close gas loops between LSS components.

Elemental Food for Thought

ERIC Educational Resources Information Center

Cady, Susan

2005-01-01

One of the first tasks students learn in chemistry is to pronounce and spell the names of elements and learn their corresponding chemical symbols. Repetitive oral recitation is commonly used to learn this information, but games and puzzles can make this task creative, variable, and fun. Elemental Food for Thought is a puzzlelike activity that…

Chemical composition and some trace element contents in coals and coal ash from Tamnava-Zapadno Polje Coal Field, Serbia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vukasinovic-Pesic, V.; Rajakovic, L.J.

2009-07-01

The chemical compositions and trace element contents (Zn, Cu, Co, Cr, Ni, Pb, Cd, As, B, Hg, Sr, Se, Be, Ba, Mn, Th, V, U) in coal and coal ash samples from Tamnava-Zapadno Polje coal field in Serbia were studied. The coal from this field belongs to lignite. This high volatility coal has high moisture and low S contents, moderate ash yield, and high calorific value. The coal ash is abundant in alumosilicates. Many trace elements such as Ni > Cd > Cr > B > As > Cu > Co > Pb > V > Zn > Mn inmore » the coal and Ni > Cr > As > B > Cu > Co = Pb > V > Zn > Mn in the coal ash are enriched in comparison with Clarke concentrations.« less

[Bioinorganic chemical composition of the lens and methods of its investigation].

PubMed

Avetisov, S E; Novikov, I A; Pakhomova, N A; Motalov, V G

2018-01-01

Bioinorganic chemical composition of the lens of human and experimental animals (cows, dogs, rats, rabbits) have been analyzed in various studies. In most cases, the studies employed different methods to determine the gross (total) composition of chemical elements and their concentrations in the examined samples. Less frequently, they included an assessment of the distribution of chemical elements in the lens and correlation of their concentration with its morphological changes. Chemical elements from all groups (series) of the periodic classification system were discovered in the lens substance. Despite similar investigation methods, different authors obtained contradicting results on the chemical composition of the lens. This article presents data suggesting possible correlation between inorganic chemical elements in the lens substance with the development and formation of lenticular opacities. All currently employed methods are known to only analyze limited number of select chemical elements in the tissues and do not consider the whole range of elements that can be analyzed with existing technology; furthermore, the majority of studies are conducted on the animal model lens. Therefore, it is feasible to continue the development of the chemical microanalysis method by increasing the sensitivity of Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM/EDS) with the purpose of assessing the gross chemical composition and distribution of the elements in the lens substance, as well as revealing possible correlation between element concentration and morphological changes in the lens.

40 CFR 721.10068 - Elemental mercury.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Elemental mercury. 721.10068 Section... Substances § 721.10068 Elemental mercury. (a) Barometer means an instrument used in various applications to... uses subject to reporting. (1) The chemical substance elemental mercury (CAS. No. 7439-97-6) is subject...

40 CFR 721.10068 - Elemental mercury.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Elemental mercury. 721.10068 Section... Substances § 721.10068 Elemental mercury. (a) Barometer means an instrument used in various applications to... uses subject to reporting. (1) The chemical substance elemental mercury (CAS. No. 7439-97-6) is subject...

40 CFR 721.10068 - Elemental mercury.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Elemental mercury. 721.10068 Section... Substances § 721.10068 Elemental mercury. (a) Barometer means an instrument used in various applications to... uses subject to reporting. (1) The chemical substance elemental mercury (CAS. No. 7439-97-6) is subject...

Toxic trace elements at gastrointestinal level.

PubMed

Vázquez, M; Calatayud, M; Jadán Piedra, C; Chiocchetti, G M; Vélez, D; Devesa, V

2015-12-01

Many trace elements are considered essential [iron (Fe), zinc (Zn), copper (Cu)], whereas others may be harmful [lead (Pb), cadmium (Cd), mercury (Hg), arsenic (As)], depending on their concentration and chemical form. In most cases, the diet is the main pathway by which they enter our organism. The presence of toxic trace elements in food has been known for a long time, and many of the food matrices that carry them have been identified. This has led to the appearance of legislation and recommendations concerning consumption. Given that the main route of exposure is oral, passage through the gastrointestinal tract plays a fundamental role in their entry into the organism, where they exert their toxic effect. Although the digestive system can be considered to be of crucial importance in their toxicity, in most cases we do not know the events that occur during the passage of these elements through the gastrointestinal tract and of ascertaining whether they may have some kind of toxic effect on it. The aim of this review is to summarize available information on this subject, concentrating on the toxic trace elements that are of greatest interest for organizations concerned with food safety and health: Pb, Cd, Hg and As. Copyright © 2015 Elsevier Ltd. All rights reserved.

Identifying Dust Sources by Positive Matrix Factorization (PMF)

NASA Astrophysics Data System (ADS)

Engelbrecht, Johann P.

2010-05-01

elemental species was modeled by PMF. A five factor solution identified three soil factors, a silicate soil, limestone soil, and a gypsum soil, as well as a salt factor and an anthropogenic metal factor. Similarly, a set of 362 quartz filter samples analyzed for 10 selected chemical species was modeled by PMF. A five factor solution provided a limestone-gypsum soil, diesel combustion, secondary ammonium sulfate, salt and agricultural-burnpit combustion source type. Examples of time series plots of PMF factor contributions for each of six sampling sites (Balad, Baghdad, Tallil, Tikrit, Taji, and Al Asad) will be discussed. Engelbrecht , J. P., McDonald, E. V., Gillies, J. A., Jayanty, R. K. M., Casuccio, G., and Gertler, A. W., 2009, Characterizing mineral dusts and other aerosols from the Middle East - Part 1: Ambient sampling: Inhalation Toxicology, v. 21, p. 297-326.

Chemical elements in pearl oysters (Paxyodon ponderosus), phytoplankton and estuarine sediments from eastern Amazon (Northern Brazil): Bioaccumulation factors and trophic transfer factors

NASA Astrophysics Data System (ADS)

Vilhena, Maria P. S. P.; Costa, Marcondes L.; Berrêdo, José F.; Paiva, Rosildo S.; Souza, Crisvaldo C. S.

2016-04-01

The current study was conducted near Barcarena County, which is a mid-sized urban center where aluminum ore processing industries (bauxite) and Vila do Conde cargo terminal are located. It aims to discuss the bioaccumulation factors as well as factors related to the trophic transfer of chemical elements in water, oyster, phytoplankton and bottom sediments from an estuary in the Brazilian Northern coast. The bioaccumulation factor (BAF), trophic transfer factor (TTF) and biota-sediment-water were used to correlate the contents of chemical elements found in organisms. The sediment, surface water, phytoplankton and pearl oysters chemical composition was analyzed by ICP-OES and ICP-MS. Pearl oysters showed K, Ca, Mg, P, Mn, Fe, Zn, Al, Ba and Pb accumulation, which concentration increase is associated with their diet (phytoplankton). Al concentrations are 14 times higher in pearl oysters (Paxyodon ponderosus), assuming that they are associated with wastewater emissions and with industrialization processes in the area. BAF and BSAF values are 1000 times higher than the metal concentrations in water and bioavailable fraction concentrations. The oyster-phytoplankton trophic transfer factor indicates that P, Ba, Ca, Na, Cd and Zn showed the largest transfers (from 5 to 19). These trophic transfers may be sufficient to cause significant ecotoxicological effects on the region biota.

Variant-aware saturating mutagenesis using multiple Cas9 nucleases identifies regulatory elements at trait-associated loci.

PubMed

Canver, Matthew C; Lessard, Samuel; Pinello, Luca; Wu, Yuxuan; Ilboudo, Yann; Stern, Emily N; Needleman, Austen J; Galactéros, Frédéric; Brugnara, Carlo; Kutlar, Abdullah; McKenzie, Colin; Reid, Marvin; Chen, Diane D; Das, Partha Pratim; A Cole, Mitchel; Zeng, Jing; Kurita, Ryo; Nakamura, Yukio; Yuan, Guo-Cheng; Lettre, Guillaume; Bauer, Daniel E; Orkin, Stuart H

2017-04-01

Cas9-mediated, high-throughput, saturating in situ mutagenesis permits fine-mapping of function across genomic segments. Disease- and trait-associated variants identified in genome-wide association studies largely cluster at regulatory loci. Here we demonstrate the use of multiple designer nucleases and variant-aware library design to interrogate trait-associated regulatory DNA at high resolution. We developed a computational tool for the creation of saturating-mutagenesis libraries with single or multiple nucleases with incorporation of variants. We applied this methodology to the HBS1L-MYB intergenic region, which is associated with red-blood-cell traits, including fetal hemoglobin levels. This approach identified putative regulatory elements that control MYB expression. Analysis of genomic copy number highlighted potential false-positive regions, thus emphasizing the importance of off-target analysis in the design of saturating-mutagenesis experiments. Together, these data establish a widely applicable high-throughput and high-resolution methodology to identify minimal functional sequences within large disease- and trait-associated regions.

ASSESSMENT OF A FATHEAD MINNOW REPRODUCTION ASSAY FOR IDENTIFYING ENDOCRINE-DISRUPTING CHEMICALS WITH DIVERSE MODES OF ACTION

EPA Science Inventory

The US EPA has developed a short-term reproduction test with the fathead minnow to identify potential endocrine disrupting chemicals (EDCs). The assay is initiated by collecting baseline spawning data from reproductively-active adult fathead minnows for 21 d, followed by a 21 d e...

CSI 3.0: a web server for identifying secondary and super-secondary structure in proteins using NMR chemical shifts

PubMed Central

Hafsa, Noor E.; Arndt, David; Wishart, David S.

2015-01-01

The Chemical Shift Index or CSI 3.0 (http://csi3.wishartlab.com) is a web server designed to accurately identify the location of secondary and super-secondary structures in protein chains using only nuclear magnetic resonance (NMR) backbone chemical shifts and their corresponding protein sequence data. Unlike earlier versions of CSI, which only identified three types of secondary structure (helix, β-strand and coil), CSI 3.0 now identifies total of 11 types of secondary and super-secondary structures, including helices, β-strands, coil regions, five common β-turns (type I, II, I′, II′ and VIII), β hairpins as well as interior and edge β-strands. CSI 3.0 accepts experimental NMR chemical shift data in multiple formats (NMR Star 2.1, NMR Star 3.1 and SHIFTY) and generates colorful CSI plots (bar graphs) and secondary/super-secondary structure assignments. The output can be readily used as constraints for structure determination and refinement or the images may be used for presentations and publications. CSI 3.0 uses a pipeline of several well-tested, previously published programs to identify the secondary and super-secondary structures in protein chains. Comparisons with secondary and super-secondary structure assignments made via standard coordinate analysis programs such as DSSP, STRIDE and VADAR on high-resolution protein structures solved by X-ray and NMR show >90% agreement between those made with CSI 3.0. PMID:25979265

CSI 3.0: a web server for identifying secondary and super-secondary structure in proteins using NMR chemical shifts.

PubMed

Hafsa, Noor E; Arndt, David; Wishart, David S

2015-07-01

The Chemical Shift Index or CSI 3.0 (http://csi3.wishartlab.com) is a web server designed to accurately identify the location of secondary and super-secondary structures in protein chains using only nuclear magnetic resonance (NMR) backbone chemical shifts and their corresponding protein sequence data. Unlike earlier versions of CSI, which only identified three types of secondary structure (helix, β-strand and coil), CSI 3.0 now identifies total of 11 types of secondary and super-secondary structures, including helices, β-strands, coil regions, five common β-turns (type I, II, I', II' and VIII), β hairpins as well as interior and edge β-strands. CSI 3.0 accepts experimental NMR chemical shift data in multiple formats (NMR Star 2.1, NMR Star 3.1 and SHIFTY) and generates colorful CSI plots (bar graphs) and secondary/super-secondary structure assignments. The output can be readily used as constraints for structure determination and refinement or the images may be used for presentations and publications. CSI 3.0 uses a pipeline of several well-tested, previously published programs to identify the secondary and super-secondary structures in protein chains. Comparisons with secondary and super-secondary structure assignments made via standard coordinate analysis programs such as DSSP, STRIDE and VADAR on high-resolution protein structures solved by X-ray and NMR show >90% agreement between those made with CSI 3.0. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Identifying and designing chemicals with minimal acute aquatic toxicity

PubMed Central

Kostal, Jakub; Voutchkova-Kostal, Adelina; Anastas, Paul T.; Zimmerman, Julie Beth

2015-01-01

Industrial ecology has revolutionized our understanding of material stocks and flows in our economy and society. For this important discipline to have even deeper impact, we must understand the inherent nature of these materials in terms of human health and the environment. This paper focuses on methods to design synthetic chemicals to reduce their intrinsic ability to cause adverse consequence to the biosphere. Advances in the fields of computational chemistry and molecular toxicology in recent decades allow the development of predictive models that inform the design of molecules with reduced potential to be toxic to humans or the environment. The approach presented herein builds on the important work in quantitative structure–activity relationships by linking toxicological and chemical mechanistic insights to the identification of critical physical–chemical properties needed to be modified. This in silico approach yields design guidelines using boundary values for physiochemical properties. Acute aquatic toxicity serves as a model endpoint in this study. Defining value ranges for properties related to bioavailability and reactivity eliminates 99% of the chemicals in the highest concern for acute aquatic toxicity category. This approach and its future implementations are expected to yield very powerful tools for life cycle assessment practitioners and molecular designers that allow rapid assessment of multiple environmental and human health endpoints and inform modifications to minimize hazard. PMID:24639521

Identifying and designing chemicals with minimal acute aquatic toxicity.

PubMed

Kostal, Jakub; Voutchkova-Kostal, Adelina; Anastas, Paul T; Zimmerman, Julie Beth

2015-05-19

Industrial ecology has revolutionized our understanding of material stocks and flows in our economy and society. For this important discipline to have even deeper impact, we must understand the inherent nature of these materials in terms of human health and the environment. This paper focuses on methods to design synthetic chemicals to reduce their intrinsic ability to cause adverse consequence to the biosphere. Advances in the fields of computational chemistry and molecular toxicology in recent decades allow the development of predictive models that inform the design of molecules with reduced potential to be toxic to humans or the environment. The approach presented herein builds on the important work in quantitative structure-activity relationships by linking toxicological and chemical mechanistic insights to the identification of critical physical-chemical properties needed to be modified. This in silico approach yields design guidelines using boundary values for physiochemical properties. Acute aquatic toxicity serves as a model endpoint in this study. Defining value ranges for properties related to bioavailability and reactivity eliminates 99% of the chemicals in the highest concern for acute aquatic toxicity category. This approach and its future implementations are expected to yield very powerful tools for life cycle assessment practitioners and molecular designers that allow rapid assessment of multiple environmental and human health endpoints and inform modifications to minimize hazard.

Chemical and Biological Defense: Designated Entity Needed to Identify, Align, and Manage DOD’s Infrastructure

DTIC Science & Technology

2015-06-01

Designated Leader, GAO-10-645 (Washington, D.C.: June 30, 2010). 35See GAO, Biological Defense: DOD Has Strengthened Coordination on Medical... on track to be designated a Leadership in Energy and Environmental Design facility. metabolic poisons, and pulmonary toxicants; nerve agent...CHEMICAL AND BIOLOGICAL DEFENSE Designated Entity Needed to Identify, Align, and Manage DOD’s Infrastructure

Structural Elements in a Persistent Identifier Infrastructure and Resulting Benefits for the Earth Science Community

NASA Astrophysics Data System (ADS)

Weigel, T.; Toussaiant, F.; Stockhause, M.; Höck, H.; Kindermann, S.; Lautenschlager, M.; Ludwig, T.

2012-12-01

We propose a wide adoption of structural elements (typed links, collections, trees) in the Handle System to improve identification and access of scientific data, metadata and software as well as traceability of data provenance. Typed links target the issue of data provenance as a means to assess the quality of scientific data. Data provenance is seen here as a directed acyclic graph with nodes representing data and vertices representing derivative operations (Moreau 2010). Landing pages can allow a human user to explore the provenance graph back to the primary unprocessed data, thereby also giving credit to the original data producer. As in Earth System Modeling no single infrastructure with complete data lifecycle coverage exists, we propose to split the problem domain in two parts. Project-specific infrastructures such as the German project C3-Grid or the Earth System Grid Federation (ESGF) for CMIP5 data are aware of data and data operations (Toussaint et al. 2012) and can thus detect and accumulate single nodes and vertices in the provenance graph, assigning Handles to data, metadata and software. With a common schema for typed links, the provenance graph is established as downstream infrastructures refer incoming Handles. Data in this context is for example hierarchically structured Earth System model output data, which receives DataCite DOIs only for the most coarse-granular elements. Using Handle tree structures, the lower levels of the hierarchy can also receive Handles, allowing authors to more precisely identify the data they used (Lawrence et al. 2011). We can e.g. define a DOI for just the 2m-temperature variable of CMIP5 data across many CMIP5 experiments or a DOI for model and observational data coming from different sources. The structural elements should be implemented through Handle values at the Handle infrastructure level for two reasons. Handle values are more durable than downstream websites or databases, and thus the provenance chain does not

Regulatory element-based prediction identifies new susceptibility regulatory variants for osteoporosis.

PubMed

Yao, Shi; Guo, Yan; Dong, Shan-Shan; Hao, Ruo-Han; Chen, Xiao-Feng; Chen, Yi-Xiao; Chen, Jia-Bin; Tian, Qing; Deng, Hong-Wen; Yang, Tie-Lin

2017-08-01

Despite genome-wide association studies (GWASs) have identified many susceptibility genes for osteoporosis, it still leaves a large part of missing heritability to be discovered. Integrating regulatory information and GWASs could offer new insights into the biological link between the susceptibility SNPs and osteoporosis. We generated five machine learning classifiers with osteoporosis-associated variants and regulatory features data. We gained the optimal classifier and predicted genome-wide SNPs to discover susceptibility regulatory variants. We further utilized Genetic Factors for Osteoporosis Consortium (GEFOS) and three in-house GWASs samples to validate the associations for predicted positive SNPs. The random forest classifier performed best among all machine learning methods with the F1 score of 0.8871. Using the optimized model, we predicted 37,584 candidate SNPs for osteoporosis. According to the meta-analysis results, a list of regulatory variants was significantly associated with osteoporosis after multiple testing corrections and contributed to the expression of known osteoporosis-associated protein-coding genes. In summary, combining GWASs and regulatory elements through machine learning could provide additional information for understanding the mechanism of osteoporosis. The regulatory variants we predicted will provide novel targets for etiology research and treatment of osteoporosis.

Effect of chemical amendments on remediation of potentially toxic trace elements (PTEs) and soil quality improvement in paddy fields.

PubMed

Kim, Sung Chul; Hong, Young Kyu; Oh, Se Jin; Oh, Seung Min; Lee, Sang Phil; Kim, Do Hyung; Yang, Jae E

2017-04-01

Remediation of potentially toxic trace elements (PTEs) in paddy fields is fundamental for crop safety. In situ application of chemical amendments has been widely adapted because of its cost-effectiveness and environmental safety. The main purpose of this research was to (1) evaluate the reduction in dissolved concentrations of cadmium (Cd) and arsenic (As) with the application of chemical amendments and (2) monitor microbial activity in the soil to determine the remediation efficiency. Three different chemical amendments, lime stone, steel slag, and acid mine drainage sludge, were applied to paddy fields, and rice (Oryza sativa L. Milyang 23) was cultivated. The application of chemical amendments immobilized both Cd and As in soil. Between the two PTEs, As reduction was significant (p < 0.05) with the addition of chemical amendments, whereas no significant reduction was observed for Cd than that for the control. Among six soil-related variables, PTE concentration showed a negative correlation with soil pH (r = -0.70 for As and r = -0.54 for Cd) and soil respiration (SR) (r = -0.88 for As and r = -0.45 for Cd). This result indicated that immobilization of PTEs in soil is dependent on soil pH and reduces PTE toxicity. Overall, the application of chemical amendments could be utilized for decreasing PTE (As and Cd) bioavailability and increasing microbial activity in the soil.

Measuring the Chemical Potential of the Martian Regolith to Generate and Sustain Life

NASA Technical Reports Server (NTRS)

Kounaves, S. P.; Buehler, M. G.; Kuhlman, K. R.

1999-01-01

A critical component for identifying chemical biosignatures is the ability to assess in-situ the potential of an aqueous geochemical environment to generate and sustain life. On Mars or other solar bodies, in-situ chemical characterization could provide evidence as to whether the chemical composition of the regolith or evaporites in suspected ancient water bodies have been biologically influenced or possess the chemical parameters within which life may have existed, or may still exist. A variety of analytical techniques have been proposed for use in detecting and identify signatures of past or present life. These techniques fall into two groups; visual observation with instruments such as cameras or optical/atomic-force microscopes; or elemental chemical analysis with such instruments as X-ray fluorescence (XRF) and diffraction (XRD), a-proton backscatter (APX), y-ray, Mossbauer, Raman, IR, UV/VIS spectroscopies, gas chromatography (GC), or mass spectrometry (MS). Direct observation of an identifiable lifeform by the first set of instruments in a single sample is highly unlikely, especially for extinct organisms or on the surface. The later instruments can provide vital data as to the elemental mineralogy and geological history of the planet, but are highly inadequate for understanding the chemistry of the planet in terms of indigenous life or interactions with human explorers. Techniques such as XRD, XRF, and APX, provide elemental composition at high limits of detection. Some of this data can be extrapolated or interpolated to provide chemical parameters such as oxidation state or composition. Gas chromatography (GC) without standards and non-specific detectors, has little chance of identifying a mixture of unknown components. Combined with GC or by itself, mass spectrometry (MS) can provide identification of compounds, but in both cases the sample must be appropriately prepared for accurate and reliable analysis. Life as we know it, and probably identify it as

Mechanical properties investigation on single-wall ZrO2 nanotubes: A finite element method with equivalent Poisson's ratio for chemical bonds

NASA Astrophysics Data System (ADS)

Yang, Xiao; Li, Huijian; Hu, Minzheng; Liu, Zeliang; Wärnå, John; Cao, Yuying; Ahuja, Rajeev; Luo, Wei

2018-04-01

A method to obtain the equivalent Poisson's ratio in chemical bonds as classical beams with finite element method was proposed from experimental data. The UFF (Universal Force Field) method was employed to calculate the elastic force constants of Zrsbnd O bonds. By applying the equivalent Poisson's ratio, the mechanical properties of single-wall ZrNTs (ZrO2 nanotubes) were investigated by finite element analysis. The nanotubes' Young's modulus (Y), Poisson's ratio (ν) of ZrNTs as function of diameters, length and chirality have been discussed, respectively. We found that the Young's modulus of single-wall ZrNTs is calculated to be between 350 and 420 GPa.

The GALAH survey: chemical tagging of star clusters and new members in the Pleiades

NASA Astrophysics Data System (ADS)

Kos, Janez; Bland-Hawthorn, Joss; Freeman, Ken; Buder, Sven; Traven, Gregor; De Silva, Gayandhi M.; Sharma, Sanjib; Asplund, Martin; Duong, Ly; Lin, Jane; Lind, Karin; Martell, Sarah; Simpson, Jeffrey D.; Stello, Dennis; Zucker, Daniel B.; Zwitter, Tomaž; Anguiano, Borja; Da Costa, Gary; D'Orazi, Valentina; Horner, Jonathan; Kafle, Prajwal R.; Lewis, Geraint; Munari, Ulisse; Nataf, David M.; Ness, Melissa; Reid, Warren; Schlesinger, Katie; Ting, Yuan-Sen; Wyse, Rosemary

2018-02-01

The technique of chemical tagging uses the elemental abundances of stellar atmospheres to 'reconstruct' chemically homogeneous star clusters that have long since dispersed. The GALAH spectroscopic survey - which aims to observe one million stars using the Anglo-Australian Telescope - allows us to measure up to 30 elements or dimensions in the stellar chemical abundance space, many of which are not independent. How to find clustering reliably in a noisy high-dimensional space is a difficult problem that remains largely unsolved. Here, we explore t-distributed stochastic neighbour embedding (t-SNE) - which identifies an optimal mapping of a high-dimensional space into fewer dimensions - whilst conserving the original clustering information. Typically, the projection is made to a 2D space to aid recognition of clusters by eye. We show that this method is a reliable tool for chemical tagging because it can: (i) resolve clustering in chemical space alone, (ii) recover known open and globular clusters with high efficiency and low contamination, and (iii) relate field stars to known clusters. t-SNE also provides a useful visualization of a high-dimensional space. We demonstrate the method on a data set of 13 abundances measured in the spectra of 187 000 stars by the GALAH survey. We recover seven of the nine observed clusters (six globular and three open clusters) in chemical space with minimal contamination from field stars and low numbers of outliers. With chemical tagging, we also identify two Pleiades supercluster members (which we confirm kinematically), one as far as 6° - one tidal radius away from the cluster centre.

In vitro chemical screening assays to identify thyroid hormone disruptors.

EPA Science Inventory

Identification of chemicals with potential to impact thyroid hormone function is a priority of the US EPA’s Endocrine Disruptor Screening Program (EDSP). In vitro screening assays can be used to significantly reduce the number of chemicals that need to be considered for tes...

Identifying Causal Elements in the Thematic-Fantasy Play Paradigm.

ERIC Educational Resources Information Center

Pellegrini, Anthony D.

The intent of this study was to examine the effectiveness of elements of the thematic-fantasy play training paradigm in facilitating children's immediate and maintained story comprehension. Thematic-fantasy play was defined as play in which children enact themes and events not related to their everyday experience, as when they act out a fairy…

Screening and prioritisation of chemical risks from metal mining operations, identifying exposure media of concern.

PubMed

Pan, Jilang; Oates, Christopher J; Ihlenfeld, Christian; Plant, Jane A; Voulvoulis, Nikolaos

2010-04-01

Metals have been central to the development of human civilisation from the Bronze Age to modern times, although in the past, metal mining and smelting have been the cause of serious environmental pollution with the potential to harm human health. Despite problems from artisanal mining in some developing countries, modern mining to Western standards now uses the best available mining technology combined with environmental monitoring, mitigation and remediation measures to limit emissions to the environment. This paper develops risk screening and prioritisation methods previously used for contaminated land on military and civilian sites and engineering systems for the analysis and prioritisation of chemical risks from modern metal mining operations. It uses hierarchical holographic modelling and multi-criteria decision making to analyse and prioritise the risks from potentially hazardous inorganic chemical substances released by mining operations. A case study of an active platinum group metals mine in South Africa is used to demonstrate the potential of the method. This risk-based methodology for identifying, filtering and ranking mining-related environmental and human health risks can be used to identify exposure media of greatest concern to inform risk management. It also provides a practical decision-making tool for mine acquisition and helps to communicate risk to all members of mining operation teams.

Studies of Flerovium and Element 115 Homologs with Macrocyclic Extractants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Despotopulos, John D.

2015-03-12

Study of the chemistry of the heaviest elements, Z ≥ 104, poses a unique challenge due to their low production cross-sections and short half-lives. Chemistry also must be studied on the one-atom-at-a-time scale, requiring automated, fast, and very efficient chemical schemes. Recent studies of the chemical behavior of copernicium (Cn, element 112) and flerovium (Fl, element 114) together with the discovery of isotopes of these elements with half-lives suitable for chemical studies have spurred a renewed interest in the development of rapid systems designed to study the chemical properties of elements with Z ≥ 114. This dissertation explores both extractionmore » chromatography and solvent extraction as methods for development of a rapid chemical separation scheme for the homologs of flerovium (Pb, Sn, Hg) and element 115 (Bi, Sb), with the goal of developing a chemical scheme that, in the future, can be applied to on-line chemistry of both Fl and element 115. Carrier-free radionuclides, used in these studies, of the homologs of Fl and element 115 were obtained by proton activation of high-purity metal foils at the Lawrence Livermore National Laboratory (LLNL) Center for Accelerator Mass Spectrometry (CAMS): natIn(p,n) 113Sn, natSn(p,n) 124Sb, and Au(p,n) 197m,gHg. The carrier-free activity was separated from the foils by novel separation schemes based on ion exchange and extraction chromatography techniques. Carrier-free Pb and Bi isotopes were obtained from development of a novel generator based on cation exchange chromatography using the 232U parent to generate 212Pb and 212Bi. Macrocyclic extractants, specifically crown ethers and their derivatives, were chosen for these studies; crown ethers show high selectivity for metal ions. Finally. a potential chemical system for Fl was established based on the Eichrom Pb resin, and insight to an improved system based on thiacrown ethers is presented.« less

The Nuclear Barcode: a New Taggant for Identifying Explosives

NASA Astrophysics Data System (ADS)

Seman, James; Johnson, Catherine; Castaño, Carlos

2017-06-01

Creating an effective taggant system for explosives is a challenging problem since the taggant used must be designed to endure the detonation process. A new taggant for use in explosives has been recently developed and named the `nuclear barcode'. The nuclear barcode tags explosives by adding low concentrations of eight different elements to the explosive, and then reads the tag from the post-blast residue using neutron activation analysis (NAA) to identify the elements and their concentrations. The nuclear barcode can be used to identify explosives after detonation by sampling the post-blast residue that is deposited due to incomplete reaction of the explosives. This method of tagging explosives creates an identifying taggant that survives detonation as NAA detects atomic nuclei as opposed to using any chemical or physical properties of the taggant that don't always survive the detonation process. Additional advantages this taggant method offers is ease of recovery of the taggant after detonation, and a total of 25.6 billion possible taggants as currently conceived, which enables the nuclear barcode to be used to tag individual batches of explosives. This paper describes the development of the nuclear barcode taggant system and its potential use in the explosives industry.

An alpha particle instrument with alpha, proton, and X-ray modes for planetary chemical analyses

NASA Technical Reports Server (NTRS)

Economou, T. E.; Turkevich, A. L.

1976-01-01

The interaction of alpha particles with matter is employed in a compact instrument that could provide rather complete in-situ chemical analyses of surfaces and thin atmospheres of extraterrestrial bodies. The instrument is a miniaturized and improved version of the Surveyor lunar instrument. The backscattering of alpha particles and (alpha, p) reactions provide analytical data on the light elements (carbon-iron). An X-ray mode that detects the photons produced by the alpha sources provides sensitivity and resolution for the chemical elements heavier than about silicon. The X-rays are detected by semiconductor detectors having a resolution between 150 and 250 eV at 5.9 keV. Such an instrument can identify and determine with good accuracy 99 percent of the atoms (except hydrogen) in rocks. For many trace elements, the detecting sensitivity is a few ppm. Auxiliary sources could be used to enhance the sensitivities for elements of special interest. The instrument could probably withstand the acceleration involved in semi-hard landings.

NETL’s Rare Earth Elements Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

The National Energy Technology Laboratory has established a Rare Earth Elements (REE) program. REEs are a series of 17 chemical elements found in the Earth’s crust. They are an essential component to technology, health care, transportation and national defense.

[Spatial distribution of birth defects among children aged 0 to 5 years and its relationship with soil chemical elements in Chongqing].

PubMed

Dong, Yan; Zhong, Zhao-hui; Li, Hong; Li, Jie; Wang, Ying-xiong; Peng, Bin; Zhang, Mao-zhong; Huang, Qiao; Yan, Ju; Xu, Fei-long

2013-10-01

To explore the correlation between the incidence of birth defects and the contents of soil elements so as to provide a scientific basis for screening the related pathogenic factors that inducing birth defects for the development of related preventive and control strategies. MapInfo 7.0 software was used to draw the maps on spatial distribution regarding the incidence rates of birth defects and the contents of 11 chemical elements in soil in the 33 studied areas. Variables on the two maps were superposed for analyzing the spatial correlation. SAS 8.0 software was used to analyze single factor, multi-factors and principal components as well as to comprehensively evaluate the degrees of relevance. Different incidence rates of birth defects showed in the maps of spatial distribution presented certain degrees of negative correlation with anomalies of soil chemical elements, including copper, chrome, iodine, selenium, zinc while positively correlated with the levels of lead. Results from the principal component regression equation indicating that the contents of copper(0.002), arsenic(-0.07), cadmium(0.05), chrome (-0.001), zinc (0.001), iodine(-0.03), lead (0.08), fluorine(-0.002)might serve as important factors that related to the prevalence of birth defects. Through the study on spatial distribution, we noticed that the incidence rates of birth defects were related to the contents of copper, chrome, iodine, selenium, zinc, lead in soil while the contents of chrome, iodine and lead might lead to the occurrence of birth defects.

[The elemental composition of teeth hard tissues depending on the state of the environment].

PubMed

Suladze, N; Shishniashvili, T; Margvelashvili, V; Kobakhidze, K

2014-01-01

At present, great attention is paid to the origin of man-made micro elemental anomalies. To monitor the state of the environment and its effects on the human body, of great importance is the determination of the amount and distribution of various chemical elements in the dentin and enamel of the teeth. To determine the essential (Ca, Zn, Mn, Ni), conditionally essential (Rb, Ni, Sr) and toxic (Pb, Hg) trace elements in the mineralized tissues of the teeth and to identify the relationship between the elemental composition of the tooth structure and the state of the general and dental health depending on the state of the environment, we have examined 29 children aged 3-4 years who have carried out analysis of hard tissue of teeth (teeth used for remote medical reasons) for the maintenance of nine chemical elements. Children living in a relatively environmentally favorable conditions essential value and conditionally essential elements in the mineralized tissues of the teeth were within normal limits, and toxic elements slightly increased limits that differ from those of children living in environmentally disadvantaged areas. In particular, these essential elements were significantly reduced (except for zinc), as indicators of toxic elements - mercury and lead, increased by 12.5% and 44.5%, respectively, which is clearly reflected on the state of dental health because noted decompensated form of tooth decay. Thus, deviations in a state of general and dental health of children associated with an imbalance of macro-and microelements in the mineralized tissues of the teeth.

Genome-Wide Profiling of p63 DNA–Binding Sites Identifies an Element that Regulates Gene Expression during Limb Development in the 7q21 SHFM1 Locus

PubMed Central

Oti, Martin; Dutilh, Bas E.; Alonso, M. Eva; de la Calle-Mustienes, Elisa; Smeenk, Leonie; Rinne, Tuula; Parsaulian, Lilian; Bolat, Emine; Jurgelenaite, Rasa; Huynen, Martijn A.; Hoischen, Alexander; Veltman, Joris A.; Brunner, Han G.; Roscioli, Tony; Oates, Emily; Wilson, Meredith; Manzanares, Miguel; Gómez-Skarmeta, José Luis; Stunnenberg, Hendrik G.; Lohrum, Marion; van Bokhoven, Hans; Zhou, Huiqing

2010-01-01

Heterozygous mutations in p63 are associated with split hand/foot malformations (SHFM), orofacial clefting, and ectodermal abnormalities. Elucidation of the p63 gene network that includes target genes and regulatory elements may reveal new genes for other malformation disorders. We performed genome-wide DNA–binding profiling by chromatin immunoprecipitation (ChIP), followed by deep sequencing (ChIP–seq) in primary human keratinocytes, and identified potential target genes and regulatory elements controlled by p63. We show that p63 binds to an enhancer element in the SHFM1 locus on chromosome 7q and that this element controls expression of DLX6 and possibly DLX5, both of which are important for limb development. A unique micro-deletion including this enhancer element, but not the DLX5/DLX6 genes, was identified in a patient with SHFM. Our study strongly indicates disruption of a non-coding cis-regulatory element located more than 250 kb from the DLX5/DLX6 genes as a novel disease mechanism in SHFM1. These data provide a proof-of-concept that the catalogue of p63 binding sites identified in this study may be of relevance to the studies of SHFM and other congenital malformations that resemble the p63-associated phenotypes. PMID:20808887

X-Ray Fluorescence (XRF) to identify chemical analysis of minerals in Buton island, SE Sulawesi, Indonesia

NASA Astrophysics Data System (ADS)

Jamaluddin; Darwis, A.; Massinai, M. A.

2018-02-01

Asbuton as natural rock asphalt consists of a granular material; usually limestone or sandstone. In its natural state, it contains bitumen intimately dispersed throughout its mass, while the remainder of the material is a solid mineral matter. This research was conducted in Sorowalio, Buton Regency, Southeast Sulawesi province, Indonesia. This study aims to determine the content and the percentage of minerals contained in the rocks by using X-Ray Fluorescence (XRF). The method of research is a preliminary survey, sampling and laboratory analysis. XRF reports chemical composition, including Si (quartz) and Ca (calcite). The results indicate the content and the percentage of element dominate the rock sample is Fe2O3, MgO, CaO, and SiO2. Research results using XRF show that there are four metal oxide dominant elements. Hematite (Fe2O3) is dominant in all locations of sampling. Magnesium oxide (MgO) has the highest levels found in sample number six and the lowest is in sample number five. Silicates (SiO) has the highest levels at sample number six and the lowest in sample number seven. Calcium oxide (CaO) is dominant in all sampling locations. The sample of asbuton contains 37.90% asphalt, 43.28% carbonate, and18.82% other minerals.

Identifying calcium sources at an acid deposition-impacted spruce forest: a strontium isotope, alkaline earth element multi-tracer approach

Treesearch

Thomas D. Bullen; Scott W. Bailey

2005-01-01

Depletion of calcium from forest soils has important implications for forest productivity and health. Ca is available to fine feeder roots from a number of soil organic and mineral sources. but identifying the primary source or changes of sources in response to environmental change is problematic. We used strontium isotope and alkaline earth element concentration...

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

PubMed Central

Alves, Vinicius M.; Muratov, Eugene; Fourches, Denis; Strickland, Judy; Kleinstreuer, Nicole; Andrade, Carolina H.; Tropsha, Alexander

2015-01-01

Repetitive exposure to a chemical agent can induce an immune reaction in inherently susceptible individuals that leads to skin sensitization. Although many chemicals have been reported as skin sensitizers, there have been very few rigorously validated QSAR models with defined applicability domains (AD) that were developed using a large group of chemically diverse compounds. In this study, we have aimed to compile, curate, and integrate the largest publicly available dataset related to chemically-induced skin sensitization, use this data to generate rigorously validated and QSAR models for skin sensitization, and employ these models as a virtual screening tool for identifying putative sensitizers among environmental chemicals. We followed best practices for model building and validation implemented with our predictive QSAR workflow using random forest modeling technique in combination with SiRMS and Dragon descriptors. The Correct Classification Rate (CCR) for QSAR models discriminating sensitizers from non-sensitizers were 71–88% when evaluated on several external validation sets, within a broad AD, with positive (for sensitizers) and negative (for non-sensitizers) predicted rates of 85% and 79% respectively. When compared to the skin sensitization module included in the OECD QSAR toolbox as well as to the skin sensitization model in publicly available VEGA software, our models showed a significantly higher prediction accuracy for the same sets of external compounds as evaluated by Positive Predicted Rate, Negative Predicted Rate, and CCR. These models were applied to identify putative chemical hazards in the ScoreCard database of possible skin or sense organ toxicants as primary candidates for experimental validation. PMID:25560674

The elements of life and medicines

PubMed Central

Chellan, Prinessa; Sadler, Peter J

2015-01-01

Which elements are essential for human life? Here we make an element-by-element journey through the periodic table and attempt to assess whether elements are essential or not, and if they are, whether there is a relevant code for them in the human genome. There are many difficulties such as the human biochemistry of several so-called essential elements is not well understood, and it is not clear how we should classify elements that are involved in the destruction of invading microorganisms, or elements which are essential for microorganisms with which we live in symbiosis. In general, genes do not code for the elements themselves, but for specific chemical species, i.e. for the element, its oxidation state, type and number of coordinated ligands, and the coordination geometry. Today, the biological periodic table is in a position somewhat similar to Mendeleev's chemical periodic table of 1869: there are gaps and we need to do more research to fill them. The periodic table also offers potential for novel therapeutic and diagnostic agents, based on not only essential elements, but also non-essential elements, and on radionuclides. Although the potential for inorganic chemistry in medicine was realized more than 2000 years ago, this area of research is still in its infancy. Future advances in the design of inorganic drugs require more knowledge of their mechanism of action, including target sites and metabolism. Temporal speciation of elements in their biological environments at the atomic level is a major challenge, for which new methods are urgently needed. PMID:25666066

The elements of life and medicines.

PubMed

Chellan, Prinessa; Sadler, Peter J

2015-03-13

Which elements are essential for human life? Here we make an element-by-element journey through the periodic table and attempt to assess whether elements are essential or not, and if they are, whether there is a relevant code for them in the human genome. There are many difficulties such as the human biochemistry of several so-called essential elements is not well understood, and it is not clear how we should classify elements that are involved in the destruction of invading microorganisms, or elements which are essential for microorganisms with which we live in symbiosis. In general, genes do not code for the elements themselves, but for specific chemical species, i.e. for the element, its oxidation state, type and number of coordinated ligands, and the coordination geometry. Today, the biological periodic table is in a position somewhat similar to Mendeleev's chemical periodic table of 1869: there are gaps and we need to do more research to fill them. The periodic table also offers potential for novel therapeutic and diagnostic agents, based on not only essential elements, but also non-essential elements, and on radionuclides. Although the potential for inorganic chemistry in medicine was realized more than 2000 years ago, this area of research is still in its infancy. Future advances in the design of inorganic drugs require more knowledge of their mechanism of action, including target sites and metabolism. Temporal speciation of elements in their biological environments at the atomic level is a major challenge, for which new methods are urgently needed.

Chemical screening identifies filastatin, a small molecule inhibitor of Candida albicans adhesion, morphogenesis, and pathogenesis.

PubMed

Fazly, Ahmed; Jain, Charu; Dehner, Amie C; Issi, Luca; Lilly, Elizabeth A; Ali, Akbar; Cao, Hong; Fidel, Paul L; Rao, Reeta P; Kaufman, Paul D

2013-08-13

Infection by pathogenic fungi, such as Candida albicans, begins with adhesion to host cells or implanted medical devices followed by biofilm formation. By high-throughput phenotypic screening of small molecules, we identified compounds that inhibit adhesion of C. albicans to polystyrene. Our lead candidate compound also inhibits binding of C. albicans to cultured human epithelial cells, the yeast-to-hyphal morphological transition, induction of the hyphal-specific HWP1 promoter, biofilm formation on silicone elastomers, and pathogenesis in a nematode infection model as well as alters fungal morphology in a mouse mucosal infection assay. We term this compound filastatin based on its strong inhibition of filamentation, and we use chemical genetic experiments to show that it acts downstream of multiple signaling pathways. These studies show that high-throughput functional assays targeting fungal adhesion can provide chemical probes for study of multiple aspects of fungal pathogenesis.

Chemical screening identifies filastatin, a small molecule inhibitor of Candida albicans adhesion, morphogenesis, and pathogenesis

PubMed Central

Fazly, Ahmed; Jain, Charu; Dehner, Amie C.; Issi, Luca; Lilly, Elizabeth A.; Ali, Akbar; Cao, Hong; Fidel, Paul L.; P. Rao, Reeta; Kaufman, Paul D.

2013-01-01

Infection by pathogenic fungi, such as Candida albicans, begins with adhesion to host cells or implanted medical devices followed by biofilm formation. By high-throughput phenotypic screening of small molecules, we identified compounds that inhibit adhesion of C. albicans to polystyrene. Our lead candidate compound also inhibits binding of C. albicans to cultured human epithelial cells, the yeast-to-hyphal morphological transition, induction of the hyphal-specific HWP1 promoter, biofilm formation on silicone elastomers, and pathogenesis in a nematode infection model as well as alters fungal morphology in a mouse mucosal infection assay. We term this compound filastatin based on its strong inhibition of filamentation, and we use chemical genetic experiments to show that it acts downstream of multiple signaling pathways. These studies show that high-throughput functional assays targeting fungal adhesion can provide chemical probes for study of multiple aspects of fungal pathogenesis. PMID:23904484

Chemical Proteomics Identifies Druggable Vulnerabilities in a Genetically Defined Cancer.

PubMed

Bar-Peled, Liron; Kemper, Esther K; Suciu, Radu M; Vinogradova, Ekaterina V; Backus, Keriann M; Horning, Benjamin D; Paul, Thomas A; Ichu, Taka-Aki; Svensson, Robert U; Olucha, Jose; Chang, Max W; Kok, Bernard P; Zhu, Zhou; Ihle, Nathan T; Dix, Melissa M; Jiang, Ping; Hayward, Matthew M; Saez, Enrique; Shaw, Reuben J; Cravatt, Benjamin F

2017-10-19

The transcription factor NRF2 is a master regulator of the cellular antioxidant response, and it is often genetically activated in non-small-cell lung cancers (NSCLCs) by, for instance, mutations in the negative regulator KEAP1. While direct pharmacological inhibition of NRF2 has proven challenging, its aberrant activation rewires biochemical networks in cancer cells that may create special vulnerabilities. Here, we use chemical proteomics to map druggable proteins that are selectively expressed in KEAP1-mutant NSCLC cells. Principal among these is NR0B1, an atypical orphan nuclear receptor that we show engages in a multimeric protein complex to regulate the transcriptional output of KEAP1-mutant NSCLC cells. We further identify small molecules that covalently target a conserved cysteine within the NR0B1 protein interaction domain, and we demonstrate that these compounds disrupt NR0B1 complexes and impair the anchorage-independent growth of KEAP1-mutant cancer cells. Our findings designate NR0B1 as a druggable transcriptional regulator that supports NRF2-dependent lung cancers. Copyright © 2017 Elsevier Inc. All rights reserved.

Periodic Table of Elements: Los Alamos National Laboratory

Science.gov Websites

, Communication Specialist talks about the Periodic Table of Elements 7/17/17 Back to Elements List Seaborgium is Phone Periodic Table of Elements: LANL Chemistry Division » Periodic Table of Elements Chemistry the Elements Chemical Properties Elements List Periodic Table Download News LANL Biofuels Work

Foreword [Special Issue on Superheavy Elements

DOE PAGES

Düllmann, Christoph E.; Herzberg, Rolf -Dietmar; Nazarewicz, Witold; ...

2015-12-07

Reflecting the breadth of research opportunities in the field of superheavy element research, this special issue covers the range of topics in a comprehensive way, including synthesis of superheavy isotopes, nuclear structure, atomic shell structure, and chemical properties. The contributions detail the status of the field and lay out perspectives for the future. The prospects are bright: new isotopes are awaiting discovery, completing the landscape of superheavy nuclei and bridging the currently existing gap between nuclei synthesized in cold fusion reactions and those from 48Ca induced fusion reactions. The possibility that the limits of nuclear structure studies can be pushedmore » even further in mass and charge has greatly motivated a number of new facilities. Advances in experimental techniques will allow studies on isotopes produced significantly below the 1 pb level. Chemical studies progressing to elements never studied to date are already being prepared. Ultra-fast chemistry setups are under development and it will be fascinating to see them at work, elucidating the influence of relativistic effects on superheavy elements. The richness of chemical systems available for transactinides will expand further, giving access to new chemical systems, giving more information on the architecture of the periodic table.« less

Trace elements and organic chemicals in stream-bottom sediments and fish tissues, Red River of the North basin, Minnesota, North Dakota, and South Dakota, 1992-95

USGS Publications Warehouse

Brigham, M.E.; Goldstein, R.M.; Tornes, L.H.

1998-01-01

Stream-bottom sediment and fish-tissue samples from the Red River of the North Basin, were analyzed for a large suite of chemical elements and organic chemicals. Cadmium, lead, and mercury were widespread in sediments, at concentrations not indicative of acute contamination. Mercury, the element of greatest health concern in the region, was detected at low concentrations in 38 of 43 sediment samples (<0.02-0.13 micrograms per gram) and all of eleven fish-liver samples (0.03-0.6 micrograms per gram dry weight, or 0.0066-0.13 micrograms per gram wet weight). Concentrations of many elements appeared to be controlled by mineral rather than anthropogenic sources. DDT and its metabolites were the most frequently detected synthetic organochlorines: p,p'-DDE was detected in 9 of 38 sediment samples (concentration range: <1-16 nanograms per gram) and also frequently in whole-fish samples. Total DDT (the sum of DDT and its metabolites) concentrations ranged from <5 to 217 nanograms per gram, and at least one component of total DDT was detected in 19 of 23 fish samples. Concentrations of DDT and its metabolites in stream sediments were significantly higher in the intensively cropped Red River Valley Lake Plain, compared to upland areas, probably because of greater historical DDT usage in the lake plain. Several polycyclic aromatic hydrocarbons were detected in stream-bottom sediments. Although the potentially toxic chemicals measured in this study were at low levels, relative to more contaminated areas of the Nation, maximum concentrations of some chemicals are of concern because of their possible effects on aquatic biota and human health.

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alves, Vinicius M.; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599; Muratov, Eugene

Repetitive exposure to a chemical agent can induce an immune reaction in inherently susceptible individuals that leads to skin sensitization. Although many chemicals have been reported as skin sensitizers, there have been very few rigorously validated QSAR models with defined applicability domains (AD) that were developed using a large group of chemically diverse compounds. In this study, we have aimed to compile, curate, and integrate the largest publicly available dataset related to chemically-induced skin sensitization, use this data to generate rigorously validated and QSAR models for skin sensitization, and employ these models as a virtual screening tool for identifying putativemore » sensitizers among environmental chemicals. We followed best practices for model building and validation implemented with our predictive QSAR workflow using Random Forest modeling technique in combination with SiRMS and Dragon descriptors. The Correct Classification Rate (CCR) for QSAR models discriminating sensitizers from non-sensitizers was 71–88% when evaluated on several external validation sets, within a broad AD, with positive (for sensitizers) and negative (for non-sensitizers) predicted rates of 85% and 79% respectively. When compared to the skin sensitization module included in the OECD QSAR Toolbox as well as to the skin sensitization model in publicly available VEGA software, our models showed a significantly higher prediction accuracy for the same sets of external compounds as evaluated by Positive Predicted Rate, Negative Predicted Rate, and CCR. These models were applied to identify putative chemical hazards in the Scorecard database of possible skin or sense organ toxicants as primary candidates for experimental validation. - Highlights: • It was compiled the largest publicly-available skin sensitization dataset. • Predictive QSAR models were developed for skin sensitization. • Developed models have higher prediction accuracy than OECD QSAR Toolbox. �

Environmental mineralogy - Understanding element behavior in ecosystems

NASA Astrophysics Data System (ADS)

Brown, Gordon E., Jr.; Calas, Georges

2011-02-01

Environmental Mineralogy has developed over the past decade in response to the recognition that minerals are linked in many important ways with the global ecosystem. Minerals are the main repositories of the chemical elements in Earth's crust and thus are the main sources of elements needed for the development of civilization, contaminant and pollutant elements that impact global and local ecosystems, and elements that are essential plant nutrients. These elements are released from minerals through natural processes, such as chemical weathering, and anthropogenic activities, such as mining and energy production, agriculture and industrial activities, and careless waste disposal. Minerals also play key roles in the biogeochemical cycling of the elements, sequestering elements and releasing them as the primary minerals in crustal rocks undergo various structural and compositional transformations in response to physical, chemical, and biological processes that produce secondary minerals and soils. These processes have resulted in the release of toxic elements such as arsenic in groundwater aquifers, which is having a major impact on the health of millions of people in South and Southeast Asia. The interfaces between mineral surfaces and aqueous solutions are the locations of most chemical reactions that control the composition of the natural environment, including the composition of natural waters. The nuclear fuel cycle, from uranium mining to the disposition of high-level nuclear waste, is also intimately related to minerals. A fundamental understanding of these processes requires molecular-scale information about minerals, their bulk structures and properties such as solubility, their surfaces, and their interactions with aqueous solutions, atmospheric and soil gases, natural organic matter, and biological organisms. Gaining this understanding is further complicated by the presence of natural, incidental, and manufactured nanoparticles in the environment, which are

Passive degassing at Nyiragongo (D.R. Congo) and Etna (Italy) volcanoes: the chemical characterization of the emissions and assessment of their uptake of trace elements emissions on the local environment

NASA Astrophysics Data System (ADS)

Calabrese, Sergio; Scaglione, Sarah; Milazzo, Silvia; D'Alessandro, Walter; Bobrowski, Nicole; Giuffrida, Giovanni; Tedesco, Dario; Parello, Francesco

2014-05-01

Volcanoes are well known as an impressive large natural source of trace elements into the troposphere. Among others, Etna (Italy) and Nyiragongo (D.R. Congo), two noteworthy emitters on Earth, are two stratovolcanoes located in different geological settings, both characterized by persistent passive degassing from their summit craters. Here, we present some results on trace element composition in volcanic plume emissions, atmospheric bulk deposition (rainwater) and their uptake of the surrounding vegetation, with the aim to compare and identify differences and similarities between this these two volcanoes. Volcanic emissions were sampled by using active filter-pack for acid gases (sulfur and halogens) and specific teflon filters for particulates (major and trace elements). The impact of the volcanogenic deposition in the surrounding of the crater rims was investigated by using different sampling techniques: bulk rain collectors gauges were used to collect atmospheric bulk deposition, and biomonitoring technique was carried out to collect gases and particulates by using endemic plant species. Concentrations of major and trace elements of volcanic plume emissions (gases and particulates) were obtained by elution and microwave digestion of the collected filters: sulfur and halogens were determined by ion chromatography and ICP-MS, and untreated filters for particulate were acid digested and analysed by ICP-OES and ICP-MS. Rain water and plant samples were also analysed for major and trace elements by using ICP-OES and ICP-MS. In total 55 elements were determined. The estimates of the trace element fluxes confirm that Etna and Nyiragongo are large sources of metals to the atmosphere, especially considering their persistent state of passive degassing. In general, chemical composition of the volcanic aerosol particles of both volcanoes is characterized by two main components: one is related to the silicic component produced by magma bursting and fragmentation, enriching

Steroid profiling in H295R cells to identify chemicals potentially disrupting the production of adrenal steroids.

PubMed

Strajhar, Petra; Tonoli, David; Jeanneret, Fabienne; Imhof, Raphaella M; Malagnino, Vanessa; Patt, Melanie; Kratschmar, Denise V; Boccard, Julien; Rudaz, Serge; Odermatt, Alex

2017-04-15

The validated OECD test guideline 456 based on human adrenal H295R cells promotes measurement of testosterone and estradiol production as read-out to identify potential endocrine disrupting chemicals. This study aimed to establish optimal conditions for using H295R cells to detect chemicals interfering with the production of key adrenal steroids. H295R cells' supernatants were characterized by liquid chromatography-mass spectrometry (LC-MS)-based steroid profiling, and the influence of experimental conditions including time and serum content was assessed. Steroid profiles were determined before and after incubation with reference compounds and chemicals to be tested for potential disruption of adrenal steroidogenesis. The H295R cells cultivated according to the OECD test guideline produced progestins, glucocorticoids, mineralocorticoids and adrenal androgens but only very low amounts of testosterone. However, testosterone contained in Nu-serum was metabolized during the 48h incubation. Thus, inclusion of positive and negative controls and a steroid profile of the complete medium prior to the experiment (t=0h) was necessary to characterize H295R cells' steroid production and indicate alterations caused by exposure to chemicals. Among the tested chemicals, octyl methoxycinnamate and acetyl tributylcitrate resembled the corticosteroid induction pattern of the positive control torcetrapib. Gene expression analysis revealed that octyl methoxycinnamate and acetyl tributylcitrate enhanced CYP11B2 expression, although less pronounced than torcetrapib. Further experiments need to assess the toxicological relevance of octyl methoxycinnamate- and acetyl tributylcitrate-induced corticosteroid production. In conclusion, the extended profiling and appropriate controls allow detecting chemicals that act on steroidogenesis and provide initial mechanistic evidence for prioritizing chemicals for further investigations. Copyright © 2017 Elsevier B.V. All rights reserved.

Plant-beneficial elements status assessment in soil-plant system in the vicinity of a chemical industry complex: shedding light on forage grass safety issues.

PubMed

Anjum, Naser A; Duarte, Armando C; Pereira, Eduarda; Ahmad, Iqbal

2015-02-01

Human health is closely linked with soils via plants, grazers, or plant-based products. This study estimated plant-beneficial elements (macronutrients: K, P; secondary macronutrients: Ca, Mg; micronutrients: Mo, Mn, Na, Ni, Se) in both soils and shoots of two forage grass species (Eriophorum angustifolium and Lolium perenne) prevalent in the vicinity of a chemical industry complex (Estarreja, Portugal). Both soils and plants from the chemical industrial areas exhibited differential concentrations of the studied elements. In soils, the role of contamination was evidenced as insignificant in context of its impact on all the tested macro and secondary macronutrients except P, and micronutrients such as Mo and Ni. In forage grass plant shoots, the role of contamination was evidenced as insignificant in relation to its impact on all the tested macro and secondary macronutrients except K. Between the two forage grass plants, high Se-harboring L. perenne cannot be recommended for its use as animal feed.

Chemical composition of groundwater/drinking water and oncological disease mortality in Slovak Republic.

PubMed

Rapant, S; Cvečková, V; Fajčíková, K; Dietzová, Z; Stehlíková, B

2017-02-01

This study deals with the analysis of relationship between chemical composition of the groundwater/drinking water and the data on mortality from oncological diseases (MOD) in the Slovak Republic. Primary data consist of the Slovak national database of groundwater analyses (20,339 chemical analyses, 34 chemical elements/compounds) and data on MOD (17 health indicators) collected for the 10-year period (1994-2003). The chemical and health data were unified in the same form and expressed as the mean values for each of 2883 municipalities within the Slovak Republic. Pearson and Spearman correlation as well as artificial neural network (ANN) methods were used for analysis of the relationship between chemical composition of groundwater/drinking water and MOD. The most significant chemical elements having influence on MOD were identified together with their limit values (limit and optimal contents). Based on the results of calculations, made through the neural networks, the following eight chemical elements/parameters in the groundwater were defined as the most significant for MOD: Ca + Mg (mmol l -1 ), Ca, Mg, TDS, Cl, HCO 3 , SO 4 and NO 3 . The results document the highest relationship between MOD and groundwater contents of Ca + Mg (mmol l -1 ), Ca and Mg. We observe increased MOD with low (deficit) contents of these three parameters of groundwater/drinking water. The following limit values were set for the most significant groundwater chemicals/parameters: Ca + Mg 1.73-5.85 mmol l -1 , Ca 60.5-196.8 mg l -1 and Mg 25.6-35.8 mg l -1 . At these concentration ranges, the mortality for oncological diseases in the Slovak Republic is at the lowest levels. These limit values are about twice higher in comparison with the current Slovak valid guideline values for the drinking water.

Spectral identifiers from roasting process of Arabica and Robusta green beans using Laser-Induced Breakdown Spectroscopy (LIBS)

NASA Astrophysics Data System (ADS)

Wirani, Ayu Puspa; Nasution, Aulia; Suyanto, Hery

2016-11-01

Coffee (Coffea spp.) is one of the most widely consumed beverages in the world. World coffee consumption is around 70% comes from Arabica, 26% from Robusta , and the rest 4% from other varieties. Coffee beverages characteristics are related to chemical compositions of its roasted beans. Usually testing of coffee quality is subjectively tasted by an experienced coffee tester. An objective quantitative technique to analyze the chemical contents of coffee beans using LIBS will be reported in this paper. Optimum experimental conditions was using of 120 mJ of laser energy and delay time 1 μs. Elements contained in coffee beans are Ca, W, Sr, Mg, Na, H, K, O, Rb, and Be. The Calcium (Ca) is the main element in the coffee beans. Roasting process will cause the emission intensity of Ca decreased by 42.45%. In addition, discriminant analysis was used to distinguish the arabica and robusta variants, either in its green and roasted coffee beans. Observed identifier elements are Ca, W, Sr, and Mg. Overall chemical composition of roasted coffee beans are affected by many factors, such as the composition of the soil, the location, the weather in the neighborhood of its plantation, and the post-harvesting process of the green coffee beans (drying, storage, fermentation, and roasting methods used).

Monash Chemical Yields Project (Monχey) - Element production in low- and intermediate-mass stars of metallicities Z = 0 to 0.04

NASA Astrophysics Data System (ADS)

Doherty, Carolyn Louise; Lattanzio, John; Angelou, George; Wattana Campbell, Simon; Church, Ross; Constantino, Thomas; Cristallo, Sergio; Gil-Pons, Pilar; Karakas, Amanda; Lugaro, Maria; Stancliffe, Richard James

2015-08-01

The Monχey project provides a large and homogeneous set of stellar yields for the low- and intermediate- mass stars and has applications particularly to galactic chemical evolution modelling.We present a detailed grid of stellar evolutionary models and corresponding nucleosynthetic yields for stars of initial mass 0.8 M⊙ up to the limit for core collapse supernova ≈ 10 M⊙. Our study covers a broad range of metallicities, ranging from the first, primordial stars (Z=0) to those of super-solar metallicity (Z=0.04). The models are evolved from the zero-age main-sequence until the end of the asymptotic giant branch (AGB) and the nucleosynthesis calculations include all elements from H to Bi.A major innovation of our work is the first complete grid of heavy element nucleosynthetic predictions for primordial AGB stars as well as the inclusion of extra-mixing processes (in this case thermohaline) during the red giant branch. We provide a broad overview of our results with implications for galactic chemical evolution as well as highlight interesting results such as heavy element production in dredge-out events of super-AGB stars.We briefly introduce our easy to use web-based database which provides the evolutionary tracks, structural properties, internal/surface nucleosynthetic compositions and stellar yields. Our web interface includes user- driven plotting capabilities with output available in a range of formats. Our nucleosynthetic results are available for further use in post processing calculations for dust production yields.

Major factors influencing the elemental composition of surface estuarine sediments: the case of 15 estuaries in Portugal.

PubMed

Mil-Homens, M; Vale, C; Raimundo, J; Pereira, P; Brito, P; Caetano, M

2014-07-15

Upper sediments (0-5 cm) were sampled in 94 sites of water bodies of the fifteen Portuguese estuaries characterized by distinct settings of climate, topography and lithology, and marked by diverse anthropogenic pressures. Confined areas recognized as highly anthropogenic impacted, as well as areas dominated by erosion or frequently dredged were not sampled. Grain size, organic carbon (Corg), Al and trace elements (As, Cd, Co, Cr, Cu, Hg, Ni, Pb and Zn) were determined. Normalisation of trace element concentrations to Al and Corg, correlations between elements and Principal Component Analysis (PCA) allowed identifying elemental associations and the relevance of grain-size, lithology and anthropogenic inputs on sediment chemical composition. Whereas grain-size is the dominant effect for the majority of the studied estuaries, the southern estuaries Mira, Arade and Guadiana are dominated by specific lithologies of their river basins, and anthropogenic effects are identified in Ave, Leça, Tagus and Sado. This study emphasizes how baseline values of trace elements in sediments may vary within and among estuarine systems. Copyright © 2014 Elsevier Ltd. All rights reserved.

Size distributions of ambient air particles and enrichment factor analyses of metallic elements at Taichung Harbor near the Taiwan Strait

NASA Astrophysics Data System (ADS)

Fang, Guor-Cheng; Wu, Yuh-Shen; Chang, Shih-Yu; Huang, Shih-Han; Rau, Jui-Yeh

2006-10-01

This work attempts to characterize metallic elements associated with atmospheric particulate matter on a dry deposition plate, a TE-PUF high-volume air sampler and a universal air sampler. Dry deposition fluxes of particulates and concentrations of total suspended particulate, fine (PM 2.5) and coarse (PM 2.5-10) particulate matters were collected at Taichung harbor sampling sites from August 2004 to January 2005. Chemical analyses of metallic elements were made using a flame atomic absorption spectrophotometer coupled with hollow cathode lamps. Concentrations of metal elements in the forms of coarse particles and fine particles as well as the coarse/fine particulate ratios were presented. Statistical methods such as correlation analysis, principal component analysis and enrichment factor analysis were performed to compare the chemical components and identify possible emission sources at the sampling sites. Metallic elements of Cu, Zn, Pb, Cr, Ni and Mg had higher EF crust ratios in winter and spring than in summer and autumn. Diurnal and nocturnal variations of metallic element concentrations in fine and coarse particles were also discussed.

Major and EDXRF Trace Element Chemical Analyses of Volcanic Rocks from Lassen Volcanic National Park and Vicinity, California

USGS Publications Warehouse

Clynne, Michael A.; Muffler, L.J.P.; Siems, D.F.; Taggart, J.E.; Bruggman, Peggy

2008-01-01

This open-file report presents WDXRF major-element chemical data for late Pliocene to Holocene volcanic rocks collected from Lassen Volcanic National Park and vicinity, California. Data for Rb, Sr, Ba, Y, Zr, Nb, Ni, Cr, Zn and Cu obtained by EDXRF are included for many samples. Data are presented in an EXCEL spreadsheet and are keyed to rock units as displayed on the Geologic Map of Lassen Volcanic National Park and vicinity (Clynne and Muffler, in press). Location of the samples is given in latitude and longitude in degrees and decimal minutes and in decimal degrees.

Toxicokinetic Triage for Environmental Chemicals.

PubMed

Wambaugh, John F; Wetmore, Barbara A; Pearce, Robert; Strope, Cory; Goldsmith, Rocky; Sluka, James P; Sedykh, Alexander; Tropsha, Alex; Bosgra, Sieto; Shah, Imran; Judson, Richard; Thomas, Russell S; Setzer, R Woodrow

2015-09-01

Toxicokinetic (TK) models link administered doses to plasma, blood, and tissue concentrations. High-throughput TK (HTTK) performs in vitro to in vivo extrapolation to predict TK from rapid in vitro measurements and chemical structure-based properties. A significant toxicological application of HTTK has been "reverse dosimetry," in which bioactive concentrations from in vitro screening studies are converted into in vivo doses (mg/kg BW/day). These doses are predicted to produce steady-state plasma concentrations that are equivalent to in vitro bioactive concentrations. In this study, we evaluate the impact of the approximations and assumptions necessary for reverse dosimetry and develop methods to determine whether HTTK tools are appropriate or may lead to false conclusions for a particular chemical. Based on literature in vivo data for 87 chemicals, we identified specific properties (eg, in vitro HTTK data, physico-chemical descriptors, and predicted transporter affinities) that correlate with poor HTTK predictive ability. For 271 chemicals we developed a generic HT physiologically based TK (HTPBTK) model that predicts non-steady-state chemical concentration time-courses for a variety of exposure scenarios. We used this HTPBTK model to find that assumptions previously used for reverse dosimetry are usually appropriate, except most notably for highly bioaccumulative compounds. For the thousands of man-made chemicals in the environment that currently have no TK data, we propose a 4-element framework for chemical TK triage that can group chemicals into 7 different categories associated with varying levels of confidence in HTTK predictions. For 349 chemicals with literature HTTK data, we differentiated those chemicals for which HTTK approaches are likely to be sufficient, from those that may require additional data. Published by Oxford University Press on behalf of Society of Toxicology 2015. This work is written by US Government employees and is in the public

Toxicokinetic Triage for Environmental Chemicals

PubMed Central

Wambaugh, John F.; Wetmore, Barbara A.; Pearce, Robert; Strope, Cory; Goldsmith, Rocky; Sluka, James P.; Sedykh, Alexander; Tropsha, Alex; Bosgra, Sieto; Shah, Imran; Judson, Richard; Thomas, Russell S.; Woodrow Setzer, R.

2015-01-01

Toxicokinetic (TK) models link administered doses to plasma, blood, and tissue concentrations. High-throughput TK (HTTK) performs in vitro to in vivo extrapolation to predict TK from rapid in vitro measurements and chemical structure-based properties. A significant toxicological application of HTTK has been “reverse dosimetry,” in which bioactive concentrations from in vitro screening studies are converted into in vivo doses (mg/kg BW/day). These doses are predicted to produce steady-state plasma concentrations that are equivalent to in vitro bioactive concentrations. In this study, we evaluate the impact of the approximations and assumptions necessary for reverse dosimetry and develop methods to determine whether HTTK tools are appropriate or may lead to false conclusions for a particular chemical. Based on literature in vivo data for 87 chemicals, we identified specific properties (eg, in vitro HTTK data, physico-chemical descriptors, and predicted transporter affinities) that correlate with poor HTTK predictive ability. For 271 chemicals we developed a generic HT physiologically based TK (HTPBTK) model that predicts non-steady-state chemical concentration time-courses for a variety of exposure scenarios. We used this HTPBTK model to find that assumptions previously used for reverse dosimetry are usually appropriate, except most notably for highly bioaccumulative compounds. For the thousands of man-made chemicals in the environment that currently have no TK data, we propose a 4-element framework for chemical TK triage that can group chemicals into 7 different categories associated with varying levels of confidence in HTTK predictions. For 349 chemicals with literature HTTK data, we differentiated those chemicals for which HTTK approaches are likely to be sufficient, from those that may require additional data. PMID:26085347

Periodic Table of the Elements in the Perspective of Artificial Neural Networks

ERIC Educational Resources Information Center

Lemes, Mauricio R.; Dal Pino, Arnaldo

2011-01-01

Although several chemical elements were not known by end of the 19th century, Mendeleev came up with an astonishing achievement, the periodic table of elements. He was not only able to predict the existence of (then) new elements, but also to provide accurate estimates of their chemical and physical properties. This is a profound example of the…

Chemicals identified in feral and food animals: a data base. First annual report, October 1981. Volume I. Records 1-532

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cone, M.V.; Faust, R.A.; Baldauf, M.F.

This data file is a companion to Chemicals Identified in Human Biological Media, A Data Base, and follows basically the same format. The data base on human burden is in its third year of publication. This is the first annual report for the feral and food animal file. Data were obtained primarily from the open literature through manual searches (retrospective to 1979) of the journals listed in Appendix A. The data base now contains information on 60 different substances. Chemicals are listed by Chemical Abstracts Service (CAS) registry numbers and preferred names in Appendix B. For the user's convenience, cross-referencedmore » chemical lists of CAS preferred and common names are provided in Appendix C. The animals, tissues, and body fluids found to be contaminated by these chemicals are listed in Appendix D. The data base is published annually in tabular format with indices and chemical listings that allow specific searching. A limited number of custom computer searches of the data base are available in special cases when the published format does not allow for retrieval of needed information.« less

Elemental Etymology: What's in a Name?

ERIC Educational Resources Information Center

Ball, David W.

1985-01-01

Examines the origin of the names (or etymologies) of the chemical elements. Includes tables listing elements: (1) with names of obscure origin; (2) named for colors; (3) named after real or mythical people; (4) named after places; (5) named after heavenly bodies; and (6) having names of miscellaneous origin. (JN)

Physical-chemical modeling of elements' behavior in mixing sea and fresh waters of minor rivers in the White Sea catchment area.

PubMed

Maksimova, Victoria V; Mazukhina, Svetlana I; Cherepanova, Tatiana A; Gorbacheva, Tamara T

2017-07-29

The physical-chemical stage of marginal filters in minor rivers of the White Sea catchment area by the example of the Umba River, flowing to Kandalaksha Gulf, has been explored. Application of the method of physical-chemical modeling on the basis of field data allowed establishing migration forms of a number of elements in the "river-sea" system and deposition of solid phases when mixing waters. The mixing of river and sea water is accompanied by the sedimentation of predominantly goethite, hydromuscovite, and hydroxylapatite. Sediments in mixing river and sea waters were found to be mainly composed by goethite, hydromuscovite, and hydroxylapatite. The research has added to the knowledge of the role of the abiotic part in the marginal filters of small rivers in the Arctic.

Identifying Elements Critical for Functional and Sustainable Professional Learning Communities

ERIC Educational Resources Information Center

Richmond, Gail; Manokore, Viola

2011-01-01

In this paper, we examined data collected as part of a 5-year project designed to foster reform-based urban science teaching through teachers' communities of inquiry. Drawing upon a distributed leadership framework, we analyzed teacher "talk" during professional learning community (PLC) meetings. This analysis yielded five elements:…

Best practices in incident investigation in the chemical process industries with examples from the industry sector and specifically from Nova Chemicals.

PubMed

Morrison, Lisa M

2004-07-26

This paper will summarize best practices in incident investigation in the chemical process industries and will provide examples from both the industry sector and specifically from NOVA Chemicals. As a sponsor of the Center for Chemical Process Safety (CCPS), an industry technology alliance of the American Institute of Chemical Engineers, NOVA Chemicals participates in a number of working groups to help develop best practices and tools for the chemical process and associated industries in order to advance chemical process safety. A recent project was to develop an update on guidelines for investigating chemical process incidents. A successful incident investigation management system must ensure that all incidents and near misses are reported, that root causes are identified, that recommendations from incident investigations identify appropriate preventive measures, and that these recommendations are resolved in a timely manner. The key elements of an effective management system for incident investigation will be described. Accepted definitions of such terms as near miss, incident, and root cause will be reviewed. An explanation of the types of incident classification systems in use, along with expected levels of follow-up, will be provided. There are several incident investigation methodologies in use today by members of the CCPS; most of these methodologies incorporate the use of several tools. These tools include: timelines, sequence diagrams, causal factor identification, brainstorming, checklists, pre-defined trees, and team-defined logic trees. Developing appropriate recommendations and then ensuring their resolution is the key to prevention of similar events from recurring, along with the sharing of lessons learned from incidents. There are several sources of information on previous incidents and lessons learned available to companies. In addition, many companies in the chemical process industries use their own internal databases to track recommendations from

Toward a Broader Concept of Value: Identifying and Defining Elements for an Expanded Cost-Effectiveness Analysis.

PubMed

Garrison, Louis P; Kamal-Bahl, Sachin; Towse, Adrian

2017-02-01

This commentary identifies and defines potentially useful expansions to traditional cost-effectiveness analysis as often used in health technology assessment. Since the seminal 1977 article by Weinstein and Stason, the recommended approach has been the use of the incremental cost-effectiveness ratio based on the metric of the cost per quality-adjusted life-year gained, allowing comparisons across different technologies. An expanded framework, incorporating a wider range of the elements of value, is proposed. In addition to the core value drivers of health gain and other health system cost savings (if any), we propose adding other less recognized elements related to the value of knowing and informational externalities. We describe each of five factors related to the value of knowing: 1) a reduction in uncertainty, reflecting the benefit of a companion diagnostic increasing the certainty of a patient׳s response to a medicine; 2) insurance value related to greater peace of mind due to protection against catastrophic health and financial loss; 3) the value of hope for a "cure," leading individuals to become risk seekers in some circumstances; 4) real option value due to life extension opening possibilities for individuals to benefit from future innovation; and 5) spillovers or externalities arising from benefits of scientific advances that cannot be entirely appropriated by those making the advances. Further thought and research are needed on how best to measure and integrate these elements into an incremental value framework and on coverage and pricing decisions. Copyright © 2017 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

Elemental Analysis of Soils by Laser Induced Breakdown Spectroscopy

NASA Astrophysics Data System (ADS)

Gondal, Mohammed Ashraf; Dastageer, Mohamed A.

The chemical and elemental composition of soil is very complex as it contains many constituents like minerals, organic matters, living organisms, fossils, air and water. Considering the diversity of soil contents, quality and usability, a systematic scientific study on the elemental and chemical composition of soil is very important. In order to study the chemical composition of soil, Laser induced breakdown spectroscopy (LIBS) has been applied recently. The important features of LIBS system and its applications for the measurement of nutrients in green house soil, on-line monitoring of remediation process of chromium polluted soil, determination of trace elements in volcanic erupted soil samples collected from ancient cenozoic lava eruption sites and detection of toxic metals in Gulf war oil spill contaminated soil using LIBS are described in this chapter.

Human Geophagia, Calabash Chalk and Undongo: Mineral Element Nutritional Implications

PubMed Central

Abrahams, Peter W.; Davies, Theo C.; Solomon, Abiye O.; Trow, Amanda J.; Wragg, Joanna

2013-01-01

The prime aim of our work is to report and comment on the bioaccessible concentrations – i.e., the soluble content of chemical elements in the gastrointestinal environment that is available for absorption – of a number of essential mineral nutrients and potentially harmful elements (PHEs) associated with the deliberate ingestion of African geophagical materials, namely Calabash chalk and Undongo. The pseudo-total concentrations of 13 mineral nutrients/PHEs were quantified following a nitric-perchloric acid digestion of nine different Calabash chalk samples, and bioaccessible contents of eight of these chemical elements were determined in simulated saliva/gastric and intestinal solutions obtained via use of the Fed ORganic Estimation human Simulation Test (FOREhST) in vitro procedure. The Calabash chalk pseudo-total content of the chemical elements is often below what may be regarded as average for soils/shales, and no concentration is excessively high. The in vitro leachate solutions had concentrations that were often lower than those of the blanks used in our experimental procedure, indicative of effective adsorption: lead, a PHE about which concern has been previously raised in connection with the consumption of Calabash chalk, was one such chemical element where this was evident. However, some concentrations in the leachate solutions are suggestive that Calabash chalk can be a source of chemical elements to humans in bioaccessible form, although generally the materials appear to be only a modest supplier: this applies even to iron, a mineral nutrient that has often been linked to the benefits of geophagia in previous academic literature. Our investigations indicate that at the reported rates of ingestion, Calabash chalk on the whole is not an important source of mineral nutrients or PHEs to humans. Similarly, although Undongo contains elevated pseudo-total concentrations of chromium and nickel, this soil is not a significant source to humans for any of the

Human geophagia, calabash chalk and undongo: mineral element nutritional implications.

PubMed

Abrahams, Peter W; Davies, Theo C; Solomon, Abiye O; Trow, Amanda J; Wragg, Joanna

2013-01-01

The prime aim of our work is to report and comment on the bioaccessible concentrations - i.e., the soluble content of chemical elements in the gastrointestinal environment that is available for absorption - of a number of essential mineral nutrients and potentially harmful elements (PHEs) associated with the deliberate ingestion of African geophagical materials, namely Calabash chalk and Undongo. The pseudo-total concentrations of 13 mineral nutrients/PHEs were quantified following a nitric-perchloric acid digestion of nine different Calabash chalk samples, and bioaccessible contents of eight of these chemical elements were determined in simulated saliva/gastric and intestinal solutions obtained via use of the Fed ORganic Estimation human Simulation Test (FOREhST) in vitro procedure. The Calabash chalk pseudo-total content of the chemical elements is often below what may be regarded as average for soils/shales, and no concentration is excessively high. The in vitro leachate solutions had concentrations that were often lower than those of the blanks used in our experimental procedure, indicative of effective adsorption: lead, a PHE about which concern has been previously raised in connection with the consumption of Calabash chalk, was one such chemical element where this was evident. However, some concentrations in the leachate solutions are suggestive that Calabash chalk can be a source of chemical elements to humans in bioaccessible form, although generally the materials appear to be only a modest supplier: this applies even to iron, a mineral nutrient that has often been linked to the benefits of geophagia in previous academic literature. Our investigations indicate that at the reported rates of ingestion, Calabash chalk on the whole is not an important source of mineral nutrients or PHEs to humans. Similarly, although Undongo contains elevated pseudo-total concentrations of chromium and nickel, this soil is not a significant source to humans for any of the

Chemical and metabolomic screens identify novel biomarkers and antidotes for cyanide exposure

PubMed Central

Nath, Anjali K.; Roberts, Lee D.; Liu, Yan; Mahon, Sari B.; Kim, Sonia; Ryu, Justine H.; Werdich, Andreas; Januzzi, James L.; Boss, Gerry R.; Rockwood, Gary A.; MacRae, Calum A.; Brenner, Matthew; Gerszten, Robert E.; Peterson, Randall T.

2013-01-01

Exposure to cyanide causes a spectrum of cardiac, neurological, and metabolic dysfunctions that can be fatal. Improved cyanide antidotes are needed, but the ideal biological pathways to target are not known. To understand better the metabolic effects of cyanide and to discover novel cyanide antidotes, we developed a zebrafish model of cyanide exposure and scaled it for high-throughput chemical screening. In a screen of 3120 small molecules, we discovered 4 novel antidotes that block cyanide toxicity. The most potent antidote was riboflavin. Metabolomic profiling of cyanide-treated zebrafish revealed changes in bile acid and purine metabolism, most notably by an increase in inosine levels. Riboflavin normalizes many of the cyanide-induced neurological and metabolic perturbations in zebrafish. The metabolic effects of cyanide observed in zebrafish were conserved in a rabbit model of cyanide toxicity. Further, humans treated with nitroprusside, a drug that releases nitric oxide and cyanide ions, display increased circulating bile acids and inosine. In summary, riboflavin may be a novel treatment for cyanide toxicity and prophylactic measure during nitroprusside treatment, inosine may serve as a biomarker of cyanide exposure, and metabolites in the bile acid and purine metabolism pathways may shed light on the pathways critical to reversing cyanide toxicity.—Nath, A. K., Roberts, L. D., Liu, Y., Mahon, S. B., Kim, S., Ryu, J. H., Werdich, A., Januzzi, J. L., Boss, G. R., Rockwood, G. A., MacRae, C. A., Brenner, M., Gerszten, R. E., Peterson, R. T. Chemical and metabolomic screens identify novel biomarkers and antidotes for cyanide exposure. PMID:23345455

The New Element Curium (Atomic Number 96)

DOE R&D Accomplishments Database

Seaborg, G. T.; James, R. A.; Ghiorso, A.

1948-01-01

Two isotopes of the element with atomic number 96 have been produced by the helium-ion bombardment of plutonium. The name curium, symbol Cm, is proposed for element 96. The chemical experiments indicate that the most stable oxidation state of curium is the III state.

New markers to identify the provenance of lapis lazuli: trace elements in pyrite by means of micro-PIXE

NASA Astrophysics Data System (ADS)

Re, A.; Angelici, D.; Lo Giudice, A.; Maupas, E.; Giuntini, L.; Calusi, S.; Gelli, N.; Massi, M.; Borghi, A.; Gallo, L. M.; Pratesi, G.; Mandò, P. A.

2013-04-01

Lapis lazuli has been used for glyptics and carving since the fifth millennium BC to produce jewels, amulets, seals, inlays, etc; the identification of the origin of the stone used for carving artworks may be valuable for reconstructing old trade routes. Since ancient lapis lazuli art objects are precious, only non-destructive techniques can be used to identify their provenance, and ion beam analysis (IBA) techniques allow us to characterise this stone in a fully non-invasive way. In addition, by using an ion microprobe, we have been able to focus the analysis on single crystals, as their typical dimensions may range from a few microns to hundreds of microns. Provenance markers, identified in previous IBA studies and already presented elsewhere, were based on the presence/absence of mineral phases, on the presence/quantity of trace elements inside a phase and on characteristic features of the luminescence spectra. In this work, a systematic study on pyrite crystals, a common accessory mineral in lapis lazuli, was carried out, following a multi-technique approach: optical microscopy and SEM-EDX to select crystals for successive trace element micro-PIXE measurements at two Italian facilities, the INFN Laboratori Nazionali di Legnaro and the INFN LABEC laboratory in Firenze. The results of this work allowed us to obtain new markers for lapis lazuli provenance identification.

Time-resolved resonance fluorescence spectroscopy for study of chemical reactions in laser-induced plasmas.

PubMed

Liu, Lei; Deng, Leimin; Fan, Lisha; Huang, Xi; Lu, Yao; Shen, Xiaokang; Jiang, Lan; Silvain, Jean-François; Lu, Yongfeng

2017-10-30

Identification of chemical intermediates and study of chemical reaction pathways and mechanisms in laser-induced plasmas are important for laser-ablated applications. Laser-induced breakdown spectroscopy (LIBS), as a promising spectroscopic technique, is efficient for elemental analyses but can only provide limited information about chemical products in laser-induced plasmas. In this work, time-resolved resonance fluorescence spectroscopy was studied as a promising tool for the study of chemical reactions in laser-induced plasmas. Resonance fluorescence excitation of diatomic aluminum monoxide (AlO) and triatomic dialuminum monoxide (Al 2 O) was used to identify these chemical intermediates. Time-resolved fluorescence spectra of AlO and Al 2 O were used to observe the temporal evolution in laser-induced Al plasmas and to study their formation in the Al-O 2 chemistry in air.

Yeasts associated with an abandoned mining area in Pernek and their tolerance to different chemical elements.

PubMed

Vadkertiová, Renáta; Molnárová, Jana; Lux, Alexander; Vaculík, Marek; Lišková, Desana

2016-05-01

Four plants, Cirsium arvense (creeping thistle), Equisetum arvense (field horsetail), Oxalis acetosella (wood sorrel) and Phragmites australis (common reed), which grew in an abandoned Sb-mining area in Pernek (Malé Karpaty Mts., Slovakia), were investigated for the yeast species. Yeasts were isolated from both the leaves of the plants and the soil adjacent to the plants. In total, 65 yeast cultures, belonging to 11 ascomycetous and 5 basidiomycetous yeast species, were isolated. The species most frequently isolated from both the soil and leaf samples were Trichosporon porosum, Galactomyces candidus and Candida solani, whereas Aureobasidium pullulans, Candida tsuchiyae and Sporidiobolus metaroseus were isolated exclusively from the plant leaves. All the yeast species isolated were tested for their tolerance to two heavy metals (Cd, Zn) and three metalloids (As, Sb and Si). The yeasts isolated from both the leaves and soils exhibited a high tolerance level to both As and Sb, present in elevated concentrations at the locality. Among the yeast species tested, Cryptococcus musci, a close relative to Cryptococcus humicola, was the species most tolerant to all the chemical elements tested, with the exception of Si. It grew in the presence of 200 mmol/L Zn, 200 mmol/L Cd, 60 mmol/L As and 50 mmol/L Sb, and therefore, it can be considered as a multi-tolerant species. Some of the yeast species were tolerant to the individual chemical elements. The yeast-like species Trichosporon laibachii exhibited the highest tolerance to Si of all yeasts tested, and Cryptococcus flavescens and Lindnera saturnus showed the same tolerance as Cryptococcus musci to Zn and As, respectively. The majority of the yeasts showed a notably low tolerance to Cd (not exceeded 0.5 mmol/L), which was present in small amounts in the soil. However, Candida solani, isolated from the soil, exhibited a higher tolerance to Cd (20 mmol/L) than to As (2 mmol/L).

Finite Element Analysis Modeling of Chemical Vapor Deposition of Silicon Carbide

DTIC Science & Technology

2014-06-19

thesis primarily focuses on mass transport by gas -phase flow and diffusion , chemical reaction in gas phase and on solid surfaces, and thin film...chemical vapor deposition (CVD). This thesis primarily focuses on mass transport by gas -phase flow and diffusion , chemical reaction in gas phase and...9 Fluid Flow…………………………………………..…………………..…………….9 Thermodynamics………………………………………..………………….….…….11 Chemical Reaction and Diffusion

Identifying anthropogenic uranium compounds using soft X-ray near-edge absorption spectroscopy

NASA Astrophysics Data System (ADS)

Ward, Jesse D.; Bowden, Mark; Tom Resch, C.; Eiden, Gregory C.; Pemmaraju, C. D.; Prendergast, David; Duffin, Andrew M.

2017-01-01

Uranium ores mined for industrial use are typically acid-leached to produce yellowcake and then converted into uranium halides for enrichment and purification. These anthropogenic chemical forms of uranium are distinct from their mineral counterparts. The purpose of this study is to use soft X-ray absorption spectroscopy to characterize several common anthropogenic uranium compounds important to the nuclear fuel cycle. Chemical analyses of these compounds are important for process and environmental monitoring. X-ray absorption techniques have several advantages in this regard, including element-specificity, chemical sensitivity, and high spectral resolution. Oxygen K-edge spectra were collected for uranyl nitrate, uranyl fluoride, and uranyl chloride, and fluorine K-edge spectra were collected for uranyl fluoride and uranium tetrafluoride. Interpretation of the data is aided by comparisons to calculated spectra. The effect of hydration state on the sample, a potential complication in interpreting oxygen K-edge spectra, is discussed. These compounds have unique spectral signatures that can be used to identify unknown samples.

Identifying anthropogenic uranium compounds using soft X-ray near-edge absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, Jesse D.; Bowden, Mark; Tom Resch, C.

2017-01-01

Uranium ores mined for industrial use are typically acid-leached to produce yellowcake and then converted into uranium halides for enrichment and purification. These anthropogenic chemical forms of uranium are distinct from their mineral counterparts. The purpose of this study is to use soft X-ray absorption spectroscopy to characterize several common anthropogenic uranium compounds important to the nuclear fuel cycle. Non-destructive chemical analyses of these compounds is important for process and environmental monitoring and X-ray absorption techniques have several advantages in this regard, including element-specificity, chemical sensitivity, and high spectral resolution. Oxygen K-edge spectra were collected for uranyl nitrate, uranyl fluoride,more » and uranyl chloride, and fluorine K-edge spectra were collected for uranyl fluoride and uranium tetrafluoride. Interpretation of the data is aided by comparisons to calculated spectra. These compounds have unique spectral signatures that can be used to identify unknown samples.« less

Using Ambystoma mexicanum (Mexican Axolotl) Embryos, Chemical Genetics, and Microarray Analysis to Identify Signaling Pathways Associated with Tissue Regeneration

PubMed Central

Ponomareva, Larissa V.; Athippozhy, Antony; Thorson, Jon S.; Voss, S. Randal

2015-01-01

Amphibian vertebrates are important models in regenerative biology because they present exceptional regenerative capabilities throughout life. However, it takes considerable effort to rear amphibians to juvenile and adult stages for regeneration studies and the relatively large sizes that frogs and salamanders achieve during development make them difficult to use in chemical screens. Here we introduce a new tail regeneration model using late stage Mexican axolotl embryos. We show that axolotl embryos completely regenerate amputated tails in 7 days before they exhaust their yolk supply and begin to feed. Further, we show that axolotl embryos can be efficiently reared in microtiter plates to achieve moderate throughput screening of soluble chemicals to investigate toxicity and identify molecules that alter regenerative outcome. As proof of principle, we identified integration 1 / wingless (Wnt), transforming growth factor beta (Tgf-β), and fibroblast growth factor (Fgf) pathway antagonists that completely block tail regeneration and additional chemicals that significantly affected tail outgrowth. Furthermore, we used microarray analysis to show that inhibition of Wnt signaling broadly affects transcription of genes associated with Wnt, Fgf, Tgf-β, epidermal growth factor (Egf), Notch, nerve growth factor (Ngf), homeotic gene (Hox), rat sarcoma/mitogen-activated protein kinase (Ras/Mapk), myelocytomatosis viral oncogene (Myc), tumor protein 53 (p53), and retinoic acid (RA) pathways. Punctuated changes in the expression of genes known to regulate vertebrate development were observed; this suggests the tail regeneration transcriptional program is hierarchically structured and temporally ordered. Our study establishes the axolotl as a chemical screening model to investigate signaling pathways associated with tissue regeneration. PMID:26092703

Thermal-chemical Mantle Convection Models With Adaptive Mesh Refinement

NASA Astrophysics Data System (ADS)

Leng, W.; Zhong, S.

2008-12-01

In numerical modeling of mantle convection, resolution is often crucial for resolving small-scale features. New techniques, adaptive mesh refinement (AMR), allow local mesh refinement wherever high resolution is needed, while leaving other regions with relatively low resolution. Both computational efficiency for large- scale simulation and accuracy for small-scale features can thus be achieved with AMR. Based on the octree data structure [Tu et al. 2005], we implement the AMR techniques into the 2-D mantle convection models. For pure thermal convection models, benchmark tests show that our code can achieve high accuracy with relatively small number of elements both for isoviscous cases (i.e. 7492 AMR elements v.s. 65536 uniform elements) and for temperature-dependent viscosity cases (i.e. 14620 AMR elements v.s. 65536 uniform elements). We further implement tracer-method into the models for simulating thermal-chemical convection. By appropriately adding and removing tracers according to the refinement of the meshes, our code successfully reproduces the benchmark results in van Keken et al. [1997] with much fewer elements and tracers compared with uniform-mesh models (i.e. 7552 AMR elements v.s. 16384 uniform elements, and ~83000 tracers v.s. ~410000 tracers). The boundaries of the chemical piles in our AMR code can be easily refined to the scales of a few kilometers for the Earth's mantle and the tracers are concentrated near the chemical boundaries to precisely trace the evolvement of the boundaries. It is thus very suitable for our AMR code to study the thermal-chemical convection problems which need high resolution to resolve the evolvement of chemical boundaries, such as the entrainment problems [Sleep, 1988].

GIS-based multielement source analysis of dustfall in Beijing: A study of 40 major and trace elements.

PubMed

Luo, Nana; An, Li; Nara, Atsushi; Yan, Xing; Zhao, Wenji

2016-06-01

Dust, as an important carrier of inorganic and organic pollutants, daily exposes to human without any protection. It affects our health adversely, especially its chemical elements and ions. In this research, we investigated the chemical characteristics of dustfall in Beijing, specifically in terms of 40 major and trace elements, and presented semi-quantitative evaluations of the relative local and remote contributions. In total, 58 samples were collected in Beijing and nearby cities during 2013-2014 "the winter heating period". Using multiple statistical methods and GIS techniques, we obtained the relative similarities among certain elements and identified their pollution sources (from local or nearby cities). And more interestingly, the relative contributions of nearby cities can be calculated by the Hysplit4 backward-trajectory model. In addition, the correlation analysis for the 40 elements in dust and soil indicated that traffic restricted interchange between them; the city center, with the heaviest traffic, had the most significant influence. Finally, the resulting source apportionment was examined and modified using land use data and terrain information. We hope it can provide a strong basis for the environmental protection and risk assessment. Copyright © 2016 Elsevier Ltd. All rights reserved.

Prospecting for hyperaccumulators of trace elements: a review.

PubMed

Krzciuk, Karina; Gałuszka, Agnieszka

2015-01-01

Specific plant species that can take up and accumulate abnormally high concentrations of elements in their aboveground tissues are referred to as "hyperaccumulators". The use of this term is justified in the case of enormous element-binding capacity of plants growing in their natural habitats and showing no toxicity symptoms. An increasing interest in the study of hyperaccumulators results from their potential applications in environmental biotechnology (phytoremediation, phytomining) and their emerging role in nanotechnology. The highest number of plant species with confirmed hyperaccumulative properties has been reported for hyperaccumulators of nickel, cadmium, zinc, manganese, arsenic and selenium. More limited data exist for plants accumulating other elements, including common pollutants (chromium, lead and boron) or elements of commercial value, such as copper, gold and rare earth elements. Different approaches have been used for the study of hyperaccumulators - geobotanical, chemical, biochemical and genetic. The chemical approach is the most important in screening for new hyperaccumulators. This article presents and critically reviews current trends in new hyperaccumulator research, emphasizing analytical methodology that is applied in identification of new hyperaccumulators of trace elements and its future perspectives.

Influence of an iron-rich amendment on chemical lability and plant (Raphanus sativus L.) availability of two metallic elements (As and Pb) on mine-impacted agricultural soils.

PubMed

Kim, Juhee; Kim, Yong-Seong; Hyun, Seunghun; Moon, Deok Hyun; Chang, Jun Young

2016-10-01

Variation of the chemical extractability and phytoavailability of two metallic elements (e.g., As and Pb) on amendment-treated soils was investigated. Four mine-impacted agricultural soils contaminated with both As (174-491 mg kg -1 ) and Pb (116-357 mg kg -1 ) were amended with an iron-rich sludge at the rate of 5 % (w/w). After a 4-, 8-, and 16-week incubation, the extractability of metallic elements was assessed by sequential extraction procedure (SEP; F1-F5). The control without amendment was also run. In amended soils, the labile element mass (i.e., F1 + F2) promptly decreased (15-48 % of As and 5-10 % of Pb) in 4 weeks, but the decrement was continued over 16 weeks up to 70 and 28 % for As and Pb, respectively. The labile mass decrement was quantitatively corresponded with the increment of F3 (bound to amorphous metal oxides). In plant test assessed by radish (Raphanus sativus) grown on the 16-week soils, up to 57 % of As and 28 % of Pb accumulation was suppressed and 10-43 % of growth (i.e., shoot/root elongation and fresh weight) was improved. For both the control and amended soils, element uptake by plant was well correlated with their labile soil concentrations (r 2  = 0.799 and 0.499 for As and Pb, respectively). The results confirmed that the iron-rich material can effectively suppress element uptake during R. sativus seedling growth, most likely due to the chemical stabilization of metallic elements in growth medium.

Geochemistry and stratigraphic correlation of basalt lavas beneath the Idaho Chemical Processing Plant, Idaho National Engineering Laboratory

USGS Publications Warehouse

Reed, M.F.; Bartholomay, R.C.; Hughes, S.S.

1997-01-01

Thirty-nine samples of basaltic core were collected from wells 121 and 123, located approximately 1.8 km apart north and south of the Idaho Chemical Processing Plant at the Idaho National Engineering Laboratory. Samples were collected from depths ranging from 15 to 221 m below land surface for the purpose of establishing stratigraphic correlations between these two wells. Elemental analyses indicate that the basalts consist of three principal chemical types. Two of these types are each represented by a single basalt flow in each well. The third chemical type is represented by many basalt flows and includes a broad range of chemical compositions that is distinguished from the other two types. Basalt flows within the third type were identified by hierarchical K-cluster analysis of 14 representative elements: Fe, Ca, K, Na, Sc, Co, La, Ce, Sm, Eu, Yb, Hf, Ta, and Th. Cluster analyses indicate correlations of basalt flows between wells 121 and 123 at depths of approximately 38-40 m, 125-128 m, 131-137 m, 149-158 m, and 183-198 m. Probable correlations also are indicated for at least seven other depth intervals. Basalt flows in several depth intervals do not correlate on the basis of chemical compositions, thus reflecting possible flow margins in the sequence between the wells. Multi-element chemical data provide a useful method for determining stratigraphic correlations of basalt in the upper 1-2 km of the eastern Snake River Plain.

Chemical elements in the environment: multi-element geochemical datasets from continental to national scale surveys on four continents

USGS Publications Warehouse

Caritat, Patrice de; Reimann, Clemens; Smith, David; Wang, Xueqiu

2017-01-01

During the last 10-20 years, Geological Surveys around the world have undertaken a major effort towards delivering fully harmonized and tightly quality-controlled low-density multi-element soil geochemical maps and datasets of vast regions including up to whole continents. Concentrations of between 45 and 60 elements commonly have been determined in a variety of different regolith types (e.g., sediment, soil). The multi-element datasets are published as complete geochemical atlases and made available to the general public. Several other geochemical datasets covering smaller areas but generally at a higher spatial density are also available. These datasets may, however, not be found by superficial internet-based searches because the elements are not mentioned individually either in the title or in the keyword lists of the original references. This publication attempts to increase the visibility and discoverability of these fundamental background datasets covering large areas up to whole continents.

Pretreatment and integrated analysis of spectral data reveal seaweed similarities based on chemical diversity.

PubMed

Wei, Feifei; Ito, Kengo; Sakata, Kenji; Date, Yasuhiro; Kikuchi, Jun

2015-03-03

Extracting useful information from high dimensionality and large data sets is a major challenge for data-driven approaches. The present study was aimed at developing novel integrated analytical strategies for comprehensively characterizing seaweed similarities based on chemical diversity. The chemical compositions of 107 seaweed and 2 seagrass samples were analyzed using multiple techniques, including Fourier transform infrared (FT-IR) and solid- and solution-state nuclear magnetic resonance (NMR) spectroscopy, thermogravimetry-differential thermal analysis (TG-DTA), inductively coupled plasma-optical emission spectrometry (ICP-OES), CHNS/O total elemental analysis, and isotope ratio mass spectrometry (IR-MS). The spectral data were preprocessed using non-negative matrix factorization (NMF) and NMF combined with multivariate curve resolution-alternating least-squares (MCR-ALS) methods in order to separate individual component information from the overlapping and/or broad spectral peaks. Integrated analysis of the preprocessed chemical data demonstrated distinct discrimination of differential seaweed species. Further network analysis revealed a close correlation between the heavy metal elements and characteristic components of brown algae, such as cellulose, alginic acid, and sulfated mucopolysaccharides, providing a componential basis for its metal-sorbing potential. These results suggest that this integrated analytical strategy is useful for extracting and identifying the chemical characteristics of diverse seaweeds based on large chemical data sets, particularly complicated overlapping spectral data.

Influence of trace elements on dental enamel properties: A review.

PubMed

Qamar, Zeeshan; Haji Abdul Rahim, Zubaidah Binti; Chew, Hooi Pin; Fatima, Tayyaba

2017-01-01

Dental enamel, an avascular, irreparable, outermost and protective layer of the human clinical crown has a potential to withstand the physico-chemical effects and forces. These properties are being regulated by a unique association among elements occurring in the crystallites setup of human dental enamel. Calcium and phosphate are the major components (hydroxyapatite) in addition to some trace elements which have a profound effect on enamel. The current review was planned to determine the aptitude of various trace elements to substitute and their influence on human dental enamel in terms of physical and chemical properties.

NEUTRONIC REACTOR FUEL ELEMENT

DOEpatents

Picklesimer, M.L.; Thurber, W.C.

1961-01-01

A chemically nonreactive fuel composition for incorporation in aluminum- clad, plate type fuel elements for neutronic reactors is described. The composition comprises a mixture of aluminum and uranium carbide particles, the uranium carbide particles containing at least 80 wt.% UC/sub 2/.

Tracking Radionuclide Fractionation in the First Atomic Explosion Using Stable Elements

DOE PAGES

Bonamici, Chloë E.; Hervig, Richard L.; Kinman, William S.

2017-08-25

Compositional analysis of postdetonation fallout is a tool for forensic identification of nuclear devices. However, the relationship between device composition and fallout composition is difficult to interpret because of the complex combination of physical mixing, nuclear reactions, and chemical fractionations that occur in the chaotic nuclear fireball. By using a combination of in situ microanalytical techniques (electron microprobe analysis and secondary ion mass spectrometry), we show that some heavy stable elements (Rb, Sr, Zr, Ba, Cs, Ba, La, Ce, Nd, Sm, Dy, Lu, U, Th) in glassy fallout from the first nuclear test, Trinity, are reliable chemical proxies for radionuclidesmore » generated during the explosion. Stable-element proxies show that radionuclides from the Trinity device were chemically, but not isotopically, fractionated by condensation. Moreover, stable-element proxies delineate chemical fractionation trends that can be used to connect present-day fallout composition to past fireball composition. Stable-element proxies therefore offer a novel approach for elucidating the phenomenology of the nuclear fireball as it relates to the formation of debris and the fixation of device materials within debris.« less

Tracking Radionuclide Fractionation in the First Atomic Explosion Using Stable Elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonamici, Chloë E.; Hervig, Richard L.; Kinman, William S.

Compositional analysis of postdetonation fallout is a tool for forensic identification of nuclear devices. However, the relationship between device composition and fallout composition is difficult to interpret because of the complex combination of physical mixing, nuclear reactions, and chemical fractionations that occur in the chaotic nuclear fireball. By using a combination of in situ microanalytical techniques (electron microprobe analysis and secondary ion mass spectrometry), we show that some heavy stable elements (Rb, Sr, Zr, Ba, Cs, Ba, La, Ce, Nd, Sm, Dy, Lu, U, Th) in glassy fallout from the first nuclear test, Trinity, are reliable chemical proxies for radionuclidesmore » generated during the explosion. Stable-element proxies show that radionuclides from the Trinity device were chemically, but not isotopically, fractionated by condensation. Moreover, stable-element proxies delineate chemical fractionation trends that can be used to connect present-day fallout composition to past fireball composition. Stable-element proxies therefore offer a novel approach for elucidating the phenomenology of the nuclear fireball as it relates to the formation of debris and the fixation of device materials within debris.« less

Tracking Radionuclide Fractionation in the First Atomic Explosion Using Stable Elements.

PubMed

Bonamici, Chloë E; Hervig, Richard L; Kinman, William S

2017-09-19

Compositional analysis of postdetonation fallout is a tool for forensic identification of nuclear devices. However, the relationship between device composition and fallout composition is difficult to interpret because of the complex combination of physical mixing, nuclear reactions, and chemical fractionations that occur in the chaotic nuclear fireball. Using a combination of in situ microanalytical techniques (electron microprobe analysis and secondary ion mass spectrometry), we show that some heavy stable elements (Rb, Sr, Zr, Ba, Cs, Ba, La, Ce, Nd, Sm, Dy, Lu, U, Th) in glassy fallout from the first nuclear test, Trinity, are reliable chemical proxies for radionuclides generated during the explosion. Stable-element proxies show that radionuclides from the Trinity device were chemically, but not isotopically, fractionated by condensation. Furthermore, stable-element proxies delineate chemical fractionation trends that can be used to connect present-day fallout composition to past fireball composition. Stable-element proxies therefore offer a novel approach for elucidating the phenomenology of the nuclear fireball as it relates to the formation of debris and the fixation of device materials within debris.

The use of functional chemical-protein associations to identify multi-pathway renoprotectants.

PubMed

Xu, Jia; Meng, Kexin; Zhang, Rui; Yang, He; Liao, Chang; Zhu, Wenliang; Jiao, Jundong

2014-01-01

Typically, most nephropathies can be categorized as complex human diseases in which the cumulative effect of multiple minor genes, combined with environmental and lifestyle factors, determines the disease phenotype. Thus, multi-target drugs would be more likely to facilitate comprehensive renoprotection than single-target agents. In this study, functional chemical-protein association analysis was performed to retrieve multi-target drugs of high pathway wideness from the STITCH 3.1 database. Pathway wideness of a drug evaluated the efficiency of regulation of Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways in quantity. We identified nine experimentally validated renoprotectants that exerted remarkable impact on KEGG pathways by targeting a limited number of proteins. We selected curcumin as an illustrative compound to display the advantage of multi-pathway drugs on renoprotection. We compared curcumin with hemin, an agonist of heme oxygenase-1 (HO-1), which significantly affects only one KEGG pathway, porphyrin and chlorophyll metabolism (adjusted p = 1.5×10-5). At the same concentration (10 µM), both curcumin and hemin equivalently mitigated oxidative stress in H2O2-treated glomerular mesangial cells. The benefit of using hemin was derived from its agonistic effect on HO-1, providing relief from oxidative stress. Selective inhibition of HO-1 completely blocked the action of hemin but not that of curcumin, suggesting simultaneous multi-pathway intervention by curcumin. Curcumin also increased cellular autophagy levels, enhancing its protective effect; however, hemin had no effects. Based on the fact that the dysregulation of multiple pathways is implicated in the etiology of complex diseases, we proposed a feasible method for identifying multi-pathway drugs from compounds with validated targets. Our efforts will help identify multi-pathway agents capable of providing comprehensive protection against renal injuries.

The New Element Americium (Atomic Number 95)

DOE R&D Accomplishments Database

Seaborg, G.T.; James, R.A.; Morgan, L.O.

1948-01-01

Several isotopes of the new element 95 have been produced and their radiations characterized. The chemical properties of this tripositive element are similar to those of the typical tripositive lanthanide rare-earth elements. Element 95 is different from the latter in the degree and rate of formation of certain compounds of the complex ion type, which makes possible the separation of element 95 from the lanthanide rare-earths. The name americium (after the Americas) and the symbol Am are suggested for the element on the basis of its position as the sixth member of the actinide rare-earth series, analogous to europium, Eu, of the lanthanide series.

A Short History of Three Chemical Shifts

ERIC Educational Resources Information Center

Nagaoka, Shin-ichi

2007-01-01

A short history of chemical shifts in nuclear magnetic resonance (NMR), electron spectroscopy for chemical analysis (ESCA) and Mossbauer spectroscopy, which are useful for chemical studies, is described. The term chemical shift is shown to have originated in the mistaken assumption that nuclei of a given element would all undergo resonance at the…

Elemental Chem Lab

ERIC Educational Resources Information Center

Franco Mariscal, Antonio Joaquin

2008-01-01

This educative material uses the symbols of 45 elements to spell the names of 32 types of laboratory equipment usually found in chemical labs. This teaching material has been divided into three puzzles according to the type of the laboratory equipment: (i) glassware as reaction vessels or containers; (ii) glassware for measuring, addition or…

Chemical Screening Identifies EUrd as a Novel Inhibitor Against Temozolomide-Resistant Glioblastoma-Initiating Cells.

PubMed

Tsukamoto, Yoshihiro; Ohtsu, Naoki; Echizenya, Smile; Otsuguro, Satoko; Ogura, Ryosuke; Natsumeda, Manabu; Isogawa, Mizuho; Aoki, Hiroshi; Ichikawa, Satoshi; Sakaitani, Masahiro; Matsuda, Akira; Maenaka, Katsumi; Fujii, Yukihiko; Kondo, Toru

2016-08-01

Glioblastoma (GBM), one of the most malignant human cancers, frequently recurs despite multimodal treatment with surgery and chemo/radiotherapies. GBM-initiating cells (GICs) are the likely cell-of-origin in recurrences, as they proliferate indefinitely, form tumors in vivo, and are resistant to chemo/radiotherapies. It is therefore crucial to find chemicals that specifically kill GICs. We established temozolomide (the standard medicine for GBM)-resistant GICs (GICRs) and used the cells for chemical screening. Here, we identified 1-(3-C-ethynyl-β-d-ribopentofuranosyl) uracil (EUrd) as a selective drug for targeting GICRs. EUrd induced the death in GICRs more effectively than their parental GICs, while it was less toxic to normal neural stem cells. We demonstrate that the cytotoxic effect of EUrd on GICRs partly depended on the increased expression of uridine-cytidine kinase-like 1 (UCKL1) and the decreased one of 5'-nucleotidase cytosolic III (NT5C3), which regulate uridine-monophosphate synthesis positively and negatively respectively. Together, these findings suggest that EUrd can be used as a new therapeutic drug for GBM with the expression of surrogate markers UCKL1 and NT5C3. Stem Cells 2016;34:2016-2025. © 2016 AlphaMed Press.

Capacitively readout multi-element sensor array with common-mode cancellation

DOEpatents

Britton, Jr., Charles L.; Warmack, Robert J.; Bryan, William L.; Jones, Robert L.; Oden, Patrick Ian; Thundat, Thomas

2001-01-01

An improved multi-element apparatus for detecting the presence of at least one chemical, biological or physical component in a monitored area comprising an array or single set of the following elements: a capacitive transducer having at least one cantilever spring element secured thereto, the cantilever element having an area thereof coated with a chemical having an affinity for the component to be detected; a pick-up plate positioned adjacent to the cantilever element at a distance such that a capacitance between the cantilever element and the pick-up plate changes as the distance between the cantilever element and the pick-up plate varies, the change in capacitance being a measurable variation; a detection means for measuring the measurable variation in the capacitance between the cantilever element and the pick-up plate that forms a measurement channel signal; and at least one feedback cantilever spring element positioned apart from the coated cantilever element, the cantilever element substantially unaffected by the component being monitored and providing a reference channel signal to the detection means that achieves a common mode cancellation between the measurement channel signal and reference channel signal.

The effect of age and gender on 38 chemical element contents in human iliac crest investigated by instrumental neutron activation analysis.

PubMed

Zaichick, Sofia; Zaichick, Vladimir

2010-01-01

To understand the role of major, minor, and trace elements in the etiology of bone diseases including osteoporosis, it is necessary to determine the normal levels and age-related changes of bone chemical elements. The effect of age and gender on 38 chemical element contents in intact iliac crest of 84 apparently healthy 15-55 years old women (n=38) and men (n=46) was investigated by neutron activation analysis. Mean values (M+/-SEM) for mass fraction (on dry weight basis) of Ca, Cl, Co, Fe, K, Mg, Mn, Na, P, Rb, Sr, and Zn for both female and male taken together were Ca - 169+/-3g/kg, Cl - 1490+/-43 mg/kg, Co - 0.0073+/-0.0024 mg/kg, Fe - 177+/-24 mg/kg, K - 1820+/-79 mg/kg, Mg - 1840+/-48 mg/kg, Mn - 0.316+/-0.013 mg/kg, Na - 4970+/-87 mg/kg, P - 79.7+/-1.5 g/kg, Rb - 1.89+/-0.22 mg/kg, Sr - 312+/-15 mg/kg, and Zn - 65.9+/-3.4 mg/kg, respectively. The upper limit of mean contents of Cs, Eu, Hg, Sb, Sc, and Se were Cs < or = 0.09 mg/kg, Eu < or = 0.005 mg/kg, Hg < or = 0.005 mg/kg, Sb < or = 0.004 mg/kg, Sc < or = 0.001 mg/kg, and Se < or = 0.1mg/kg, respectively. In all bone samples the contents of Ag, As, Au, Ba, Br, Cd, Ce, Cr, Gd, Hf, La, Lu, Nd, Sm, Ta, Tb, Th, U, Yb, and Zr were under detection limits. The Ca, Mg, and P contents decrease with age, regardless of gender. Higher Ca, Mg, P, and Sr mass fractions as well as lower Fe content are typical of female iliac crest as compared to those in male bone. Copyright 2009 Elsevier GmbH. All rights reserved.

Using Ambystoma mexicanum (Mexican axolotl) embryos, chemical genetics, and microarray analysis to identify signaling pathways associated with tissue regeneration.

PubMed

Ponomareva, Larissa V; Athippozhy, Antony; Thorson, Jon S; Voss, S Randal

2015-12-01

Amphibian vertebrates are important models in regenerative biology because they present exceptional regenerative capabilities throughout life. However, it takes considerable effort to rear amphibians to juvenile and adult stages for regeneration studies, and the relatively large sizes that frogs and salamanders achieve during development make them difficult to use in chemical screens. Here, we introduce a new tail regeneration model using late stage Mexican axolotl embryos. We show that axolotl embryos completely regenerate amputated tails in 7days before they exhaust their yolk supply and begin to feed. Further, we show that axolotl embryos can be efficiently reared in microtiter plates to achieve moderate throughput screening of soluble chemicals to investigate toxicity and identify molecules that alter regenerative outcome. As proof of principle, we identified integration 1 / wingless (Wnt), transforming growth factor beta (Tgf-β), and fibroblast growth factor (Fgf) pathway antagonists that completely block tail regeneration and additional chemicals that significantly affected tail outgrowth. Furthermore, we used microarray analysis to show that inhibition of Wnt signaling broadly affects transcription of genes associated with Wnt, Fgf, Tgf-β, epidermal growth factor (Egf), Notch, nerve growth factor (Ngf), homeotic gene (Hox), rat sarcoma/mitogen-activated protein kinase (Ras/Mapk), myelocytomatosis viral oncogene (Myc), tumor protein 53 (p53), and retinoic acid (RA) pathways. Punctuated changes in the expression of genes known to regulate vertebrate development were observed; this suggests the tail regeneration transcriptional program is hierarchically structured and temporally ordered. Our study establishes the axolotl as a chemical screening model to investigate signaling pathways associated with tissue regeneration. Copyright © 2015 Elsevier Inc. All rights reserved.

Genomic Models of Short-Term Exposure Accurately Predict Long-Term Chemical Carcinogenicity and Identify Putative Mechanisms of Action

PubMed Central

Gusenleitner, Daniel; Auerbach, Scott S.; Melia, Tisha; Gómez, Harold F.; Sherr, David H.; Monti, Stefano

2014-01-01

Background Despite an overall decrease in incidence of and mortality from cancer, about 40% of Americans will be diagnosed with the disease in their lifetime, and around 20% will die of it. Current approaches to test carcinogenic chemicals adopt the 2-year rodent bioassay, which is costly and time-consuming. As a result, fewer than 2% of the chemicals on the market have actually been tested. However, evidence accumulated to date suggests that gene expression profiles from model organisms exposed to chemical compounds reflect underlying mechanisms of action, and that these toxicogenomic models could be used in the prediction of chemical carcinogenicity. Results In this study, we used a rat-based microarray dataset from the NTP DrugMatrix Database to test the ability of toxicogenomics to model carcinogenicity. We analyzed 1,221 gene-expression profiles obtained from rats treated with 127 well-characterized compounds, including genotoxic and non-genotoxic carcinogens. We built a classifier that predicts a chemical's carcinogenic potential with an AUC of 0.78, and validated it on an independent dataset from the Japanese Toxicogenomics Project consisting of 2,065 profiles from 72 compounds. Finally, we identified differentially expressed genes associated with chemical carcinogenesis, and developed novel data-driven approaches for the molecular characterization of the response to chemical stressors. Conclusion Here, we validate a toxicogenomic approach to predict carcinogenicity and provide strong evidence that, with a larger set of compounds, we should be able to improve the sensitivity and specificity of the predictions. We found that the prediction of carcinogenicity is tissue-dependent and that the results also confirm and expand upon previous studies implicating DNA damage, the peroxisome proliferator-activated receptor, the aryl hydrocarbon receptor, and regenerative pathology in the response to carcinogen exposure. PMID:25058030

New Fragment Separation Technology for Superheavy Element Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shaughnessy, D A; Moody, K J; Henderson, R A

2008-01-28

This project consisted of three major research areas: (1) development of a solid Pu ceramic target for the MASHA separator, (2) chemical separation of nuclear decay products, and (3) production of new isotopes and elements through nuclear reactions. There have been 16 publications as a result of this project, and this collection of papers summarizes our accomplishments in each of the three areas of research listed above. The MASHA (Mass Analyzer for Super-Heavy Atoms) separator is being constructed at the U400 Cyclotron at the Flerov Laboratory of Nuclear Reactions in Dubna, Russia. The purpose of the separator is to physicallymore » separate the products from nuclear reactions based on their isotopic masses rather than their decay characteristics. The separator was designed to have a separation between isotopic masses of {+-}0.25 amu, which would enable the mass of element 114 isotopes to be measured with outstanding resolution, thereby confirming their discovery. In order to increase the production rate of element 114 nuclides produced via the {sup 244}Pu+{sup 48}Ca reaction, a new target technology was required. Instead of a traditional thin actinide target, the MASHA separator required a thick, ceramic-based Pu target that was thick enough to increase element 114 production while still being porous enough to allow reaction products to migrate out of the target and travel through the separator to the detector array located at the back end. In collaboration with UNLV, we began work on development of the Pu target for MASHA. Using waste-form synthesis technology, we began by creating zirconia-based matrices that would form a ceramic with plutonium oxide. We used samarium oxide as a surrogate for Pu and created ceramics that had varying amounts of the starting materials in order to establish trends in material density and porosity. The results from this work are described in more detail in Refs. [1,4,10]. Unfortunately, work on MASHA was delayed in Russia because

The average chemical composition of the lunar surface

NASA Technical Reports Server (NTRS)

Turkevich, A. L.

1973-01-01

The available analytical data from twelve locations on the moon are used to estimate the average amounts of the principal chemical elements (O, Na, Mg, Al, Si, Ca, Ti, and Fe) in the mare, the terra, and the average lunar surface regolith. These chemical elements comprise about 99% of the atoms on the lunar surface. The relatively small variability in the amounts of these elements at different mare (or terra) sites, and the evidence from the orbital measurements of Apollo 15 and 16, suggest that the lunar surface is much more homogeneous than the surface of the earth. The average chemical composition of the lunar surface may now be known as well as, if not better than, that of the solid part of the earth's surface.

Journal of Chemical Education: Software.

ERIC Educational Resources Information Center

Journal of Chemical Education, 1989

1989-01-01

Discusses a visual database of information about chemical elements. Uses a single sided 12-inch, 30-minute, CAV-type videodisk. Contains a picture of almost every element in its stable form at room temperature and normal atmospheric pressure. Can be used with the video controller from "KC? Discoverer." (MVL)

Biogeographical Analysis of Chemical Co-Occurrence Data to Identify Priorities for Mixtures Research

EPA Science Inventory

A challenge with multiple chemical risk assessment is the need to consider the joint behavior of chemicals in mixtures. To address this need, pharmacologists and toxicologists have developed methods over the years to evaluate and test chemical interaction. In practice, however, t...

Chemical Sensing Using Fiber Cavity Ring-Down Spectroscopy

PubMed Central

Waechter, Helen; Litman, Jessica; Cheung, Adrienne H.; Barnes, Jack A.; Loock, Hans-Peter

2010-01-01

Waveguide-based cavity ring-down spectroscopy (CRD) can be used for quantitative measurements of chemical concentrations in small amounts of liquid, in gases or in films. The change in ring-down time can be correlated to analyte concentration when using fiber optic sensing elements that change their attenuation in dependence of either sample absorption or refractive index. Two types of fiber cavities, i.e., fiber loops and fiber strands containing reflective elements, are distinguished. Both types of cavities were coupled to a variety of chemical sensor elements, which are discussed and compared. PMID:22294895

Closing in on chemical bonds by opening up relativity theory.

PubMed

Whitney, Cynthia K

2008-03-01

This paper develops a connection between the phenomenology of chemical bonding and the theory of relativity. Empirical correlations between electron numbers in atoms and chemical bond stabilities in molecules are first reviewed and extended. Quantitative chemical bond strengths are then related to ionization potentials in elements. Striking patterns in ionization potentials are revealed when the data are viewed in an element-independent way, where element-specific details are removed via an appropriate scaling law. The scale factor involved is not explained by quantum mechanics; it is revealed only when one goes back further, to the development of Einstein's special relativity theory.

Rice flakes produced from commercial wild rice: Chemical compositions, vitamin B compounds, mineral and trace element contents and their dietary intake evaluation.

PubMed

Sumczynski, Daniela; Koubová, Eva; Šenkárová, Lenka; Orsavová, Jana

2018-10-30

Non-traditional wild rice flakes were analysed for chemical composition, vitamin B compounds, α-tocopherol, mineral and trace elements. Dietary intakes of vitamins, minerals and trace elements were evaluated using FAO/WHO and Institute of Medicine regulations. Wild rice flakes proved to be significant contributors of pyridoxine, pantothenic and folic acids, niacin, thiamine, chromium, magnesium, manganese, phosphorus, zinc, copper, molybdenum and iron to essential dietary intakes values. Toxic dietary intake values for aluminium, cadmium, tin and mercury were less than 33%, which complies the limits for adults set by FAO/WHO for toxic elements intake related to the body weight of 65 kg for females and 80 kg for males taking 100 g of flakes as a portion. However, concentrations of Hg reaching between 3.67 and 12.20 µg/100 g in flakes exceeded the average Hg value of 0.27-1.90 μg/100 g in cereals consumed in the EU. It has to be respected in the future. Copyright © 2018 Elsevier Ltd. All rights reserved.

Chemical Signature of Biomass Burning Emitted PM2.5 as Revealed by a C/N/S Multi- Elemental Scanning Thermal Analysis (MESTA) Technique

NASA Astrophysics Data System (ADS)

Hsieh, Y.; Bugna, G.

2006-12-01

Uncertainty of black carbon (BC) research is often plagued by the analytical difficulty associated with separating carbon components in solid samples. A rapid and sensitive multi-elemental scanning thermal analysis (MESTA), originally developed for organic matter analysis in solid samples, was applied to this study. The objective was to identify the chemical signature of biomass burning emitted PM2.5 (aerosols less than 2.5 micron) for tracing purposes. We collected PM2.5 from the burning of various biomass of a pine forest and from the ambient air of an urban campus using a PM sampler. The MESTA provides simultaneous C, N and S thermograms of the PM2.5 samples that can be used for characterization and identification purposes. This study showed that the PM2.5 samples produced from the burning of forest biomass can be characterized by a high temperature (greater than 350 oC) volatile organic component with high C/N ratio and no S content while those produced from the ambient air can be characterized by a low temperature (less than 350 oC) volatile organic component with low C/N ratio and high S content. Burning of the soaked woody debris, however, produced significant amount of the low-temperature volatile organic component similar to that of the ambient air in C/N ratio but different in S content. Most PM2.5 samples have a very low temperature (less than 110 oC) volatile N component that is identified as absorbed ammonia. The absorbed ammonia is most significant in the PM2.5 of the ambient air and the burning of soaked woody debris. All PM2.5 samples have significant amount of BC which volatilized above 500 oC with very high C/N ratio. This study also shows that MESTA can provide an objective means to present the chemical signature of the whole spectrum of OC/BC in the PM2.5 samples.

Karrikins Identified in Biochars Indicate Post-Fire Chemical Cues Can Influence Community Diversity and Plant Development

PubMed Central

Kochanek, Jitka; Flematti, Gavin R.

2016-01-01

Background Karrikins are smoke-derived compounds that provide strong chemical cues to stimulate seed germination and seedling growth. The recent discovery in Arabidopsis that the karrikin perception system may be present throughout angiosperms implies a fundamental plant function. Here, we identify the most potent karrikin, karrikinolide (KAR1), in biochars and determine its role in species unique plant responses. Methods Biochars were prepared by three distinct commercial-scale pyrolysis technologies using systematically selected source material and their chemical properties, including karrikinolide, were quantified. Dose-response assays determined the effects of biochar on seed germination for two model species that require karrikinolide to break dormancy (Solanum orbiculatum, Brassica tourneforttii) and on seedling growth using two species that display plasticity to karrikins, biochar and phytotoxins (Lactuca sativa, Lycopersicon esculentum). Multivariate analysis examined relationships between biochar properties and the plant phenotype. Findings and Conclusions Results showed that karrikin abundant biochars stimulated dormant seed germination and seedling growth via mechanisms analogous to post-fire chemical cues. The individual species response was associated with its sensitivity to karrikinolide and inhibitory compounds within the biochars. These findings are critical for understanding why biochar influences community composition and plant physiology uniquely for different species and reaffirms that future pyrolysis technologies promise by-products that concomitantly sequester carbon and enhance plant growth for ecological and broader plant related applications. PMID:27536995

Karrikins Identified in Biochars Indicate Post-Fire Chemical Cues Can Influence Community Diversity and Plant Development.

PubMed

Kochanek, Jitka; Long, Rowena L; Lisle, Allan T; Flematti, Gavin R

2016-01-01

Karrikins are smoke-derived compounds that provide strong chemical cues to stimulate seed germination and seedling growth. The recent discovery in Arabidopsis that the karrikin perception system may be present throughout angiosperms implies a fundamental plant function. Here, we identify the most potent karrikin, karrikinolide (KAR1), in biochars and determine its role in species unique plant responses. Biochars were prepared by three distinct commercial-scale pyrolysis technologies using systematically selected source material and their chemical properties, including karrikinolide, were quantified. Dose-response assays determined the effects of biochar on seed germination for two model species that require karrikinolide to break dormancy (Solanum orbiculatum, Brassica tourneforttii) and on seedling growth using two species that display plasticity to karrikins, biochar and phytotoxins (Lactuca sativa, Lycopersicon esculentum). Multivariate analysis examined relationships between biochar properties and the plant phenotype. Results showed that karrikin abundant biochars stimulated dormant seed germination and seedling growth via mechanisms analogous to post-fire chemical cues. The individual species response was associated with its sensitivity to karrikinolide and inhibitory compounds within the biochars. These findings are critical for understanding why biochar influences community composition and plant physiology uniquely for different species and reaffirms that future pyrolysis technologies promise by-products that concomitantly sequester carbon and enhance plant growth for ecological and broader plant related applications.

THE PARTITIONING OF ALLOYING ELEMENTS IN MALLEABLE IRONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sandoz, G.

1958-12-23

The partitioning of a number of alloying elements between the cementite and austenite phases of irons during first-stage graphitization has been determined. For the most part, the data were obtained by chemical analyses of the cementite chemically extracted from irons quenched after selected periods at l650 F. Spot checks of these results and some explorations of alloy distribution in the matrix were made with the electron probe microanalyzer. The results show that the elements V, Cr, Mo, and Mn (not combined with S) concentrate in the cementite phase and may further enrich in this phase during graphitization. Small but measurablemore » amounts of the elements Si, Cu, Ni, Co, and Al are also found in the cementite phase. Sulfur dissolves partially in the cementite phase but is removed insofar as MnS is formed. The finding of significant amounts of every alloying element investigated in the cementite phase suggests that the mechanism by which alloying elements influenee graphitization kinetics may involve a change in the thermodynamic stability of the cementite phase. (auth)« less

The AMBRE Project: r-process element abundances in the Milky Way thin and thick discs

NASA Astrophysics Data System (ADS)

Guiglion, Guillaume; de Laverny, Patrick; Recio-Blanco, Alejandra; Worley, C. Clare

2018-04-01

Chemical evolution of r-process elements in the Milky Way disc is still a matter of debate. We took advantage of high resolution HARPS spectra from the ESO archive in order to derive precise chemical abundances of 3 r-process elements Eu, Dy & Gd for a sample of 4 355 FGK Milky Way stars. The chemical analysis has been performed thanks to the automatic optimization pipeline GAUGUIN. Based on the [α/Fe] ratio, we chemically characterized the thin and the thick discs, and present here results of these 3 r-process element abundances in both discs. We found an unexpected Gadolinium and Dysprosium enrichment in the thick disc stars compared to Europium, while these three elements track well each other in the thin disc.

Using multivariate analyses and GIS to identify pollutants and their spatial patterns in urban soils in Galway, Ireland.

PubMed

Zhang, Chaosheng

2006-08-01

Galway is a small but rapidly growing tourism city in western Ireland. To evaluate its environmental quality, a total of 166 surface soil samples (0-10 cm depth) were collected from parks and grasslands at the density of 1 sample per 0.25 km2 at the end of 2004. All samples were analysed using ICP-AES for the near-total concentrations of 26 chemical elements. Multivariate statistics and GIS techniques were applied to classify the elements and to identify elements influenced by human activities. Cluster analysis (CA) and principal component analysis (PCA) classified the elements into two groups: the first group predominantly derived from natural sources, the second being influenced by human activities. GIS mapping is a powerful tool in identifying the possible sources of pollutants. Relatively high concentrations of Cu, Pb and Zn were found in the city centre, old residential areas, and along major traffic routes, showing significant effects of traffic pollution. The element As is enriched in soils of the old built-up areas, which can be attributed to coal and peat combustion for home heating. Such significant spatial patterns of pollutants displayed by urban soils may imply potential health threat to residents of the contaminated areas of the city.

The Chemical Evolution of Phosphorus

NASA Astrophysics Data System (ADS)

Jacobson, Heather R.; Thanathibodee, Thanawuth; Frebel, Anna; Roederer, Ian U.; Cescutti, Gabriele; Matteucci, Francesca

2014-12-01

Phosphorus is one of the few remaining light elements for which little is known about its nucleosynthetic origin and chemical evolution, given the lack of optical absorption lines in the spectra of long-lived FGK-type stars. We have identified a P I doublet in the near-ultraviolet (2135/2136 Å) that is measurable in stars of low metallicity. Using archival Hubble Space Telescope-Space Telescope Imaging Spectrograph spectra, we have measured P abundances in 13 stars spanning -3.3 <= [Fe/H] <= -0.2, and obtained an upper limit for a star with [Fe/H] ~ -3.8. Combined with the only other sample of P abundances in solar-type stars in the literature, which spans a range of -1 <= [Fe/H] <= +0.2, we compare the stellar data to chemical evolution models. Our results support previous indications that massive-star P yields may need to be increased by a factor of a few to match stellar data at all metallicities. Our results also show that hypernovae were important contributors to the P production in the early universe. As P is one of the key building blocks of life, we also discuss the chemical evolution of the important elements to life, C-N-O-P-S, together. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. This work is supported through program AR-13246. Other portions of this work are based on data gathered with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile, and the McDonald Observatory of the University of Texas at Austin.

Mapping chemical elements on the surface of orthodontic appliance by SEM-EDX

PubMed Central

Mikulewicz, Marcin; Wołowiec, Paulina; Michalak, Izabela; Chojnacka, Katarzyna; Czopor, Wojciech; Berniczei-Royko, Adam; Vegh, Andras; Gedrange, Thomas

2014-01-01

Background During orthodontic treatment, the various elements that constitute the fixed appliance undergo different processes. As a result of a change of the surface, elution/coverage of metals on the surface can be observed in the process of corrosion/passivation. Material/Methods Scanning electron microscopy with an energy-dispersive X-ray analytical system (SEM-EDX) was used to analyze the composition of stainless steel elements of orthodontic fixed appliances (before and after orthodontic treatment), to obtain the composition of the surface of the elements. The analyzed elements were: brackets (Victory Series APC PLUS 022, 3M Unitek, Monrovia, CA, USA); wires (0.017×0.025, 3M Unitek, Monrovia, CA, USA); and bands (37+, 3M Unitek, Monrovia, CA, USA). Results The results showed a decrease of chromium and iron contribution to the surface, with increase of oxygen content in used vs. new elements of the appliance. Conclusions Our results confirm the formation of oxides (passivation layer) on the surface of stainless steel as a result of the presence of the orthodontic appliance in patients’ oral cavities. PMID:24857929

Mapping chemical elements on the surface of orthodontic appliance by SEM-EDX.

PubMed

Mikulewicz, Marcin; Wołowiec, Paulina; Michalak, Izabela; Chojnacka, Katarzyna; Czopor, Wojciech; Berniczei-Royko, Adam; Vegh, Andras; Gedrange, Thomas

2014-05-25

During orthodontic treatment, the various elements that constitute the fixed appliance undergo different processes. As a result of a change of the surface, elution/coverage of metals on the surface can be observed in the process of corrosion/passivation. Scanning electron microscopy with an energy-dispersive X-ray analytical system (SEM-EDX) was used to analyze the composition of stainless steel elements of orthodontic fixed appliances (before and after orthodontic treatment), to obtain the composition of the surface of the elements. The analyzed elements were: brackets (Victory Series APC PLUS 022, 3M Unitek, Monrovia, CA, USA); wires (0.017×0.025, 3M Unitek, Monrovia, CA, USA); and bands (37+, 3M Unitek, Monrovia, CA, USA). The results showed a decrease of chromium and iron contribution to the surface, with increase of oxygen content in used vs. new elements of the appliance. Our results confirm the formation of oxides (passivation layer) on the surface of stainless steel as a result of the presence of the orthodontic appliance in patients' oral cavities.

Modern Chemical Technology, Volume 2.

ERIC Educational Resources Information Center

Pecsok, Robert L.; Chapman, Kenneth

This volume contains chapters 8 to 13 of the ACS "Modern Chemical Technology" (ChemTeC) curriculum material which is intended to prepare chemical technologists. The content is centered around the background needed to understand the structure of the atom, covalence, electrovalence, elements and compounds, liquids and solutions, and chemical…

Novel Abscisic Acid Antagonists Identified with Chemical Array Screening.

PubMed

Ito, Takuya; Kondoh, Yasumitsu; Yoshida, Kazuko; Umezawa, Taishi; Shimizu, Takeshi; Shinozaki, Kazuo; Osada, Hiroyuki

2015-11-01

Abscisic acid (ABA) signaling is involved in multiple processes in plants, such as water stress control and seed dormancy. Major regulators of ABA signaling are the PYR/PYL/RCAR family receptor proteins, group A protein phosphatases 2C (PP2Cs), and subclass III of SNF1-related protein kinase 2 (SnRK2). Novel ABA agonists and antagonists to modulate the functions of these proteins would not only contribute to clarification of the signaling mechanisms but might also be used to improve crop yields. To obtain small molecules that interact with Arabidopsis ABA receptor PYR1, we screened 24 275 compounds from a chemical library at the RIKEN Natural Products Depository by using a chemical array platform. Subsequent SnRK2 and PP2C assays narrowed down the candidates to two molecules. One antagonized ABA in a competitive manner and inhibited the formation of the PYR1-ABA-PP2C ternary complex. These compounds might have potential as bioprobes to analyze ABA signaling. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Review of Rover fuel element protective coating development at Los Alamos

NASA Technical Reports Server (NTRS)

Wallace, Terry C.

1991-01-01

The Los Alamos Scientific Laboratory (LASL) entered the nuclear propulsion field in 1955 and began work on all aspects of a nuclear propulsion program with a target exhaust temperature of about 2750 K. A very extensive chemical vapor deposition coating technology for preventing catastrophic corrosion of reactor core components by the high temperature, high pressure hydrogen propellant gas was developed. Over the 17-year term of the program, more than 50,000 fuel elements were coated and evaluated. Advances in performance were achieved only through closely coupled interaction between the developing fuel element fabrication and protective coating technologies. The endurance of fuel elements in high temperature, high pressure hydrogen environment increased from several minutes at 2000 K exit gas temperature to 2 hours at 2440 K exit gas temperature in a reactor test and 10 hours at 2350 K exit gas temperature in a hot gas test. The purpose of this paper is to highlight the rationale for selection of coating materials used (NbC and ZrC), identify critical fuel element-coat interactions that had to be modified to increase system performance, and review the evolution of protective coating technology.

A path forward in the debate over health impacts of endocrine disrupting chemicals.

PubMed

Zoeller, R Thomas; Bergman, Åke; Becher, Georg; Bjerregaard, Poul; Bornman, Riana; Brandt, Ingvar; Iguchi, Taisen; Jobling, Susan; Kidd, Karen A; Kortenkamp, Andreas; Skakkebaek, Niels E; Toppari, Jorma; Vandenberg, Laura N

2014-12-22

Several recent publications reflect debate on the issue of "endocrine disrupting chemicals" (EDCs), indicating that two seemingly mutually exclusive perspectives are being articulated separately and independently. Considering this, a group of scientists with expertise in basic science, medicine and risk assessment reviewed the various aspects of the debate to identify the most significant areas of dispute and to propose a path forward. We identified four areas of debate. The first is about the definitions for terms such as "endocrine disrupting chemical", "adverse effects", and "endocrine system". The second is focused on elements of hormone action including "potency", "endpoints", "timing", "dose" and "thresholds". The third addresses the information needed to establish sufficient evidence of harm. Finally, the fourth focuses on the need to develop and the characteristics of transparent, systematic methods to review the EDC literature. Herein we identify areas of general consensus and propose resolutions for these four areas that would allow the field to move beyond the current and, in our opinion, ineffective debate.

A forward chemical screen in zebrafish identifies a retinoic acid derivative with receptor specificity.

PubMed

Das, Bhaskar C; McCartin, Kellie; Liu, Ting-Chun; Peterson, Randall T; Evans, Todd

2010-04-02

Retinoids regulate key developmental pathways throughout life, and have potential uses for differentiation therapy. It should be possible to identify novel retinoids by coupling new chemical reactions with screens using the zebrafish embryonic model. We synthesized novel retinoid analogues and derivatives by amide coupling, obtaining 80-92% yields. A small library of these compounds was screened for bioactivity in living zebrafish embryos. We found that several structurally related compounds significantly affect development. Distinct phenotypes are generated depending on time of exposure, and we characterize one compound (BT10) that produces specific cardiovascular defects when added 1 day post fertilization. When compared to retinoic acid (ATRA), BT10 shows similar but not identical changes in the expression pattern of embryonic genes that are known targets of the retinoid pathway. Reporter assays determined that BT10 interacts with all three RAR receptor sub-types, but has no activity for RXR receptors, at all concentrations tested. Our screen has identified a novel retinoid with specificity for retinoid receptors. This lead compound may be useful for manipulating components of retinoid signaling networks, and may be further derivatized for enhanced activity.

Growth mechanism and elemental distribution of beta-Ga2O3 crystalline nanowires synthesized by cobalt-assisted chemical vapor deposition.

PubMed

Wang, Hui; Lan, Yucheng; Zhang, Jiaming; Crimp, Martin A; Ren, Zhifeng

2012-04-01

Long beta-Ga2O3 crystalline nanowires are synthesized on patterned silicon substrates using chemical vapor deposition technique. Advanced electron microscopy indicates that the as-grown beta-Ga2O3 nanowires are consisted of poly-crystalline (Co, Ga)O tips and straight crystalline beta-Ga2O3 stems. The catalytic cobalt not only locates at the nanowire tips but diffuses into beta-Ga2O3 nanowire stems several ten nanometers. A solid diffusion growth mechanism is proposed based on the spatial elemental distribution along the beta-Ga2O3 nanowires at nanoscale.

Sea spray aerosol chemical composition: elemental and molecular mimics for laboratory studies of heterogeneous and multiphase reactions.

PubMed

Bertram, Timothy H; Cochran, Richard E; Grassian, Vicki H; Stone, Elizabeth A

2018-04-03

Sea spray aerosol particles (SSA), formed through wave breaking at the ocean surface, contribute to natural aerosol particle concentrations in remote regions of Earth's atmosphere, and alter the direct and indirect effects of aerosol particles on Earth's radiation budget. In addition, sea spray aerosol serves as suspended surface area that can catalyze trace gas reactions. It has been shown repeatedly that sea spray aerosol is heavily enriched in organic material compared to the surface ocean. The selective enrichment of organic material complicates the selection of representative molecular mimics of SSA for laboratory or computational studies. In this review, we first provide a short introduction to SSA formation processes and discuss chemical transformations of SSA that occur in polluted coastal regions and remote pristine air. We then focus on existing literature of the chemical composition of nascent SSA generated in controlled laboratory experiments and field investigations. We combine the evidence on the chemical properties of nascent SSA with literature measurements of SSA water uptake to assess SSA molecular composition and liquid water content. Efforts to speciate SSA organic material into molecular classes and specific molecules have led to the identification of saccharides, alkanes, free fatty acids, anionic surfactants, dicarboxylic acids, amino acids, proteinaceous matter, and other large macromolecules. However to date, less than 25% of the organic mass of nascent SSA has been quantified at a molecular level. As discussed here, quantitative measurements of size resolved elemental ratios, combined with determinations of water uptake properties, provides unique insight on the concentration of ions within SSA as a function of particle size, pointing to a controlling role for relative humidity and the hygroscopicity of SSA organic material at small particle diameters.

DiRE: identifying distant regulatory elements of co-expressed genes

PubMed Central

Gotea, Valer; Ovcharenko, Ivan

2008-01-01

Regulation of gene expression in eukaryotic genomes is established through a complex cooperative activity of proximal promoters and distant regulatory elements (REs) such as enhancers, repressors and silencers. We have developed a web server named DiRE, based on the Enhancer Identification (EI) method, for predicting distant regulatory elements in higher eukaryotic genomes, namely for determining their chromosomal location and functional characteristics. The server uses gene co-expression data, comparative genomics and profiles of transcription factor binding sites (TFBSs) to determine TFBS-association signatures that can be used for discriminating specific regulatory functions. DiRE's unique feature is its ability to detect REs outside of proximal promoter regions, as it takes advantage of the full gene locus to conduct the search. DiRE can predict common REs for any set of input genes for which the user has prior knowledge of co-expression, co-function or other biologically meaningful grouping. The server predicts function-specific REs consisting of clusters of specifically-associated TFBSs and it also scores the association of individual transcription factors (TFs) with the biological function shared by the group of input genes. Its integration with the Array2BIO server allows users to start their analysis with raw microarray expression data. The DiRE web server is freely available at http://dire.dcode.org. PMID:18487623

Closing in on Chemical Bonds by Opening up Relativity Theory

PubMed Central

Whitney, Cynthia Kolb

2008-01-01

This paper develops a connection between the phenomenology of chemical bonding and the theory of relativity. Empirical correlations between electron numbers in atoms and chemical bond stabilities in molecules are first reviewed and extended. Quantitative chemical bond strengths are then related to ionization potentials in elements. Striking patterns in ionization potentials are revealed when the data are viewed in an element-independent way, where element-specific details are removed via an appropriate scaling law. The scale factor involved is not explained by quantum mechanics; it is revealed only when one goes back further, to the development of Einstein’s special relativity theory. PMID:19325749

Chemical and non-chemical stressors affecting childhood obesity: a systematic scoping review.

PubMed

Lichtveld, Kim; Thomas, Kent; Tulve, Nicolle S

2018-01-01

Childhood obesity in the United States has doubled over the last three decades and currently affects 17% of children and adolescents. While much research has focused on individual behaviors impacting obesity, little research has emphasized the complex interactions of numerous chemical and non-chemical stressors found in a child's environment and how these interactions affect a child's health and well-being. The objectives of this systematic scoping review were to (1) identify potential chemical stressors in the context of non-chemical stressors that impact childhood obesity; and, (2) summarize our observations for chemical and non-chemical stressors in regards to child-specific environments within a community setting. A review was conducted to identify chemical and non-chemical stressors related to childhood obesity for the childhood life stages ranging from prenatal to adolescence. Stressors were identified and grouped into domains: individual behaviors, family/household behaviors, community stressors, and chemical exposures. Stressors were related to the child and the child's everyday environments and used to characterize child health and well-being. This review suggests that the interactions of chemical and non-chemical stressors are important for understanding a child's overall health and well-being. By considering these relationships, the exposure science research community can better design and implement strategies to reduce childhood obesity.

Cosmic Feast of the Elements

NASA Astrophysics Data System (ADS)

Morisset, C.; Delgado-Inglada, G.; García-Rojas, J.

2017-11-01

In the past few decades most of our understanding of the history and chemical evolution of galaxies has been guided by the study of their stars and gaseous nebulae. Nebulae, thanks to their bright emission lines, are especially useful tracers of chemical elements from the very center to the outskirts of galaxies. In order to pin down the chemical abundances in nebulae, we must rely on careful analysis of emission lines combined with detailed models of the microscopic physical processes inside nebulae and state-of-the-art atomic data. Another important piece of the puzzle is the interplay between galaxy evolution and the activity of their central engines either as optical AGNs or radio jets. Last but not least, let us not forget the huge population of lineless, retired galaxies ionized by hot low-mass evolved stars: after nuclear and star formation activity quiets down, retired galaxies are the natural consequence of galaxy evolution. Grażyna Stasińska has made important contributions to each and every one of those aspects. This conference is to honor her work. We invite you to take part and share the latest news on this cosmic feast that transmutes chemical species, the onward journey of elements inside and outside galaxies either as lonely atoms or gregarious molecules and crystals, and their recycling in stars, which starts the cosmic feast all over again.

Composition and distribution of elements and ultrastructural topography of a human cardiac calculus.

PubMed

Cheng, Ching-Li; Chang, Hsiao-Huang; Huang, Pei-Jung; Chu, Yu-Ting; Lin, Shan-Yang

2013-04-01

Trace elements (TEs) may contribute to the formation of calculi or stones or be involved in the aetiopathogenesis of stone diseases. The compositions and spatial distribution of elements from the inner nucleus to outer crust of the cardiac calculus were investigated by energy-dispersive X-ray fluorescence (EDXRF) spectrometer. The surface topograph, distribution map of elements, elemental and chemical compositions were also determined by environmental scanning electron microscope (ESEM)-energy-dispersive X-ray (EDX) analysis. Twenty-five elements were identifiable from 18 positions on the cardiac calculus by EDXRF spectrometer, in which the highest concentrations of toxic TEs (Ni, Pt, Hg, Sn, Pb, W, Au, Al, Si) and higher levels of essential TEs (Ca, Sr, Cr, P) were detected. A moderate positive Pearson's correlation between TEs concentrations of Mg, Ca or P and location differences from centre to periphery in the cardiac calculus was observed. A positive correlation was also found for Ca/Zn and Ca/Cu, indicating the gradual increase of calcium concentration from inner nucleus to outer crust of cardiac calculus. The drop-like nodules/crystals on the surface of petrous part of cardiac calculus were observed from ESEM analysis. ESEM-EDX analysis determined the calculus to be predominantly composed of calcium hydroxyapatite and cholesterol, as indicated by the petrous surface and drop-like nodules/crystals, respectively. This composition was confirmed using a portable Raman analyser. The spatial distribution analysis indicated a gradual increase in Mg, P and Ca concentrations from the inner nucleus to the outer crust of the cardiac calculus. The major chemical compositions of calcium hydroxyapatite and cholesterol were detected on this cardiac calculus.

The new model of chemical evolution of r-process elements based on the hierarchical galaxy formation. I. Ba and Eu

DOE Office of Scientific and Technical Information (OSTI.GOV)

Komiya, Yutaka; Suda, Takuma; Yamada, Shimako

2014-03-10

We investigate the chemical enrichment of r-process elements in the early evolutionary stages of the Milky Way halo within the framework of hierarchical galaxy formation using a semi-analytic merger tree. In this paper, we focus on heavy r-process elements, Ba and Eu, of extremely metal-poor (EMP) stars and give constraints on their astronomical sites. Our models take into account changes of the surface abundances of EMP stars by the accretion of interstellar medium (ISM). We also consider metal-enrichment of intergalactic medium by galactic winds and the resultant pre-enrichment of proto-galaxies. The trend and scatter of the observed r-process abundances aremore » well reproduced by our hierarchical model with ∼10% of core-collapse supernovae in low-mass end (∼10 M {sub ☉}) as a dominant r-process source and the star formation efficiency of ∼10{sup –10} yr{sup –1}. For neutron star mergers as an r-process source, their coalescence timescale has to be ∼10{sup 7} yr, and the event rates ∼100 times larger than currently observed in the Galaxy. We find that the accretion of ISM is a dominant source of r-process elements for stars with [Ba/H] < –3.5. In this model, a majority of stars at [Fe/H] < –3 are formed without r-process elements, but their surfaces are polluted by the ISM accretion. The pre-enrichment affects ∼4% of proto-galaxies, and yet, is surpassed by the ISM accretion in the surface of EMP stars.« less

Use of sediment-trace element geochemical models for the identification of local fluvial baseline concentrations

USGS Publications Warehouse

Horowitz, A.J.; Elrick, K.A.; Demas, C.R.; Demcheck, D.K.

1991-01-01

Studies have demonstrated the utility of fluvial bed sediment chemical data in assesing local water-quality conditions. However, establishing local background trace element levels can be difficult. Reference to published average concentrations or the use of dated cores are often of little use in small areas of diverse local petrology, geology, land use, or hydrology. An alternative approach entails the construction of a series of sediment-trace element predictive models based on data from environmentally diverse but unaffected areas. Predicted values could provide a measure of local background concentrations and comparison with actual measured concentrations could identify elevated trace elements and affected sites. Such a model set was developed from surface bed sediments collected nationwide in the United States. Tests of the models in a small Louisiana basin indicated that they could be used to establish local trace element background levels, but required recalibration to account for local geochemical conditions outside the range of samples used to generate the nationwide models.

The role of mineral elements and other chemical compounds used in balneology: data from double-blind randomized clinical trials

NASA Astrophysics Data System (ADS)

Morer, Carla; Roques, Christian-François; Françon, Alain; Forestier, Romain; Maraver, Francisco

2017-12-01

The aims of this study were to conduct a systematic literature review on balneotherapy about the specific therapeutic role of mineral elements and other chemical compounds of mineral waters and derivate peloids/muds and to discuss the study methods used to evaluate it (in musculoskeletal conditions). We searched Medline by PubMed using the following key words: "spa therapy" "balneotherapy" "mud" "peloid" "mud pack Therapy" in combination with "randomized controlled trial" "double blind trial." We also reviewed the reference list of articles retrieved by the Medline search. We selected the double-blind randomized clinical trials that assessed the effects of mineral water or mud treatments compared to tap water, attenuated peloid/mud therapy or similar treatments without the specific minerals or chemical compounds of the treatment group ("non-mineral"). We evaluated the internal validity and the quality of the statistical analysis of these trials. The final selection comprised 27 double-blind randomized clinical trials, 20 related to rheumatology. A total of 1118 patients with rheumatological and other musculoskeletal diseases were evaluated in these studies: 552 of knee osteoarthritis, 47 of hand osteoarthritis, 147 chronic low back pain, 308 of reumathoid arthritis, and 64 of osteoporosis; 293 of these participants were assigned to the experimental groups of knee osteoarthritis, 24 in hand osteoarthritis, 82 of low back pain, 152 with reumathoid arthritis, and 32 with osteoporosis. They were treated with mineral water baths and/or mud/peloid (with or without other forms of treatment, like physical therapy, exercise…). The rest were allocated to the control groups; they received mainly tap water and/or "non-mineral" mud/peloid treatments. Mineral water or mud treatments had better and longer improvements in pain, function, quality of life, clinical parameters, and others in some rheumatologic diseases (knee and hand osteoarthritis, chronic low back pain

The role of mineral elements and other chemical compounds used in balneology: data from double-blind randomized clinical trials.

PubMed

Morer, Carla; Roques, Christian-François; Françon, Alain; Forestier, Romain; Maraver, Francisco

2017-12-01

The aims of this study were to conduct a systematic literature review on balneotherapy about the specific therapeutic role of mineral elements and other chemical compounds of mineral waters and derivate peloids/muds and to discuss the study methods used to evaluate it (in musculoskeletal conditions). We searched Medline by PubMed using the following key words: "spa therapy" "balneotherapy" "mud" "peloid" "mud pack Therapy" in combination with "randomized controlled trial" "double blind trial." We also reviewed the reference list of articles retrieved by the Medline search. We selected the double-blind randomized clinical trials that assessed the effects of mineral water or mud treatments compared to tap water, attenuated peloid/mud therapy or similar treatments without the specific minerals or chemical compounds of the treatment group ("non-mineral"). We evaluated the internal validity and the quality of the statistical analysis of these trials. The final selection comprised 27 double-blind randomized clinical trials, 20 related to rheumatology. A total of 1118 patients with rheumatological and other musculoskeletal diseases were evaluated in these studies: 552 of knee osteoarthritis, 47 of hand osteoarthritis, 147 chronic low back pain, 308 of reumathoid arthritis, and 64 of osteoporosis; 293 of these participants were assigned to the experimental groups of knee osteoarthritis, 24 in hand osteoarthritis, 82 of low back pain, 152 with reumathoid arthritis, and 32 with osteoporosis. They were treated with mineral water baths and/or mud/peloid (with or without other forms of treatment, like physical therapy, exercise…). The rest were allocated to the control groups; they received mainly tap water and/or "non-mineral" mud/peloid treatments. Mineral water or mud treatments had better and longer improvements in pain, function, quality of life, clinical parameters, and others in some rheumatologic diseases (knee and hand osteoarthritis, chronic low back pain

Identifying the origins of local atmospheric deposition in the steel industry basin of Luxembourg using the chemical and isotopic composition of the lichen Xanthoria parietina.

PubMed

Hissler, Christophe; Stille, Peter; Krein, Andreas; Geagea, Majdi Lahd; Perrone, Thierry; Probst, Jean-Luc; Hoffmann, Lucien

2008-11-01

Trace metal atmospheric contamination was assessed in one of the oldest European industrial sites of steel production situated in the southern part of the Grand-Duchy of Luxembourg. Using elemental ratios as well as Pb, Sr, and Nd isotopic compositions as tracers, we found preliminary results concerning the trace metal enrichment and the chemical/isotopic signatures of the most important emission sources using the lichen Xanthoria parietina sampled at 15 sites along a SW-NE transect. The concentrations of these elements decreased with increasing distance from the historical and actual steel-work areas. The combination of the different tracers (major elements, Rare Earth Element ratios, Pb, Sr and Nd isotopes) enabled us to distinguish between three principal sources: the historical steel production (old tailings corresponding to blast-furnace residues), the present steel production (industrial sites with arc electric furnace units) and the regional background (baseline) components. Other anthropogenic sources including a waste incinerator and major roads had only weak impacts on lichen chemistry and isotopic ratios. The correlation between the Sr and Nd isotope ratios indicated that the Sr-Nd isotope systems represented useful tools to trace atmospheric emissions of factories using scrap metal for steel production.

The study of chemical composition and elemental mappings of colored over-glaze porcelain fired in Qing Dynasty by micro-X-ray fluorescence

NASA Astrophysics Data System (ADS)

Lin, Cheng; Meitian, Li; Youshi, Kim; Changsheng, Fan; Shanghai, Wang; Qiuli, Pan; Zhiguo, Liu; Rongwu, Li

2011-02-01

It is very difficult to measure the chemical composition of colored pigments of over-glaze porcelain by X-ray fluorescence because it contains high concentration of Pb. One of the disadvantages of our polycapillary optics is that it has low transmission efficiency to the high energy X-ray. However, it is beneficial to measure the chemical compositions of rich Pb sample. In this paper, we reported the performances of a tabletop setup of micro-X-ray fluorescence system base on slightly focusing polycapillary and its applications for analysis of rich Pb sample. A piece of Chinese ancient over-glaze porcelain was analyzed by micro-X-ray fluorescence. The experimental results showed that the Cu, Fe and Mn are the major color elements. The possibilities of the process of decorative technology were discussed in this paper, also.

CHEMICAL ANALYSIS METHODS FOR ATMOSPHERIC AEROSOL COMPONENTS

EPA Science Inventory

This chapter surveys the analytical techniques used to determine the concentrations of aerosol mass and its chemical components. The techniques surveyed include mass, major ions (sulfate, nitrate, ammonium), organic carbon, elemental carbon, and trace elements. As reported in...

The discovery of plutonium reorganized the periodic table and aided the discovery of new elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clark, David L

2009-01-01

The modern Periodic Table derives principally from the work of the great Russian scientist Dimitri Mendeleev, who in 1869 enunciated a 'periodic law' that the properties of the elements are a periodic function of their atomic weights, and arranged the 65 known elements in a 'periodic table'. Fundamentally, every column in the main body of the Periodic Table is a grouping of elements that display similar chemical and physical behavior. Similar properties are therefore exhibited by elements with widely different mass. Chemical periodicity is central to the study of chemistry, and no other generalization comes close to its ability tomore » systematize and rationalize known chemical facts. With the development of atomic theory, and an understanding of the electronic structure of atoms, chemical periodicity and the periodic table now find their natural explanation in the electronic structure of atoms. Moving from left to right along any row, the elements are arranged sequentially according to nuclear charge (the atomic number). Electrons counter balance that nuclear charge, hence each successive element has one more electron in its configuration. The electron configuration, or distribution of electrons among atomic orbitals, may be determined by application of the Pauli principle (paired spin in the same orbital) and the aufbau principle (which outlines the order of filling of electrons into shells of orbitals - s, p, d, f, etc.) such that in a given atom, no two electrons may have all four quantum numbers identical. In 1939, only three elements were known to be heavier than actinium: thorium, protactinium, and uranium. All three exhibited variable oxidation states and a complex chemistry. Thorium, protactinium and uranium were assumed to be d-transition metals and were placed in the Periodic Table under hafnium, tantalum, and tungsten, respectively. By 1940, McMillan and Abelson bombarded uranium atoms with slow neutrons and successfully identified atoms of element

Exploring innovative techniques for identifying geochemical elements as fingerprints of sediment sources in an agricultural catchment of Argentina affected by soil erosion.

PubMed

Torres Astorga, Romina; de Los Santos Villalobos, Sergio; Velasco, Hugo; Domínguez-Quintero, Olgioly; Pereira Cardoso, Renan; Meigikos Dos Anjos, Roberto; Diawara, Yacouba; Dercon, Gerd; Mabit, Lionel

2018-05-15

Identification of hot spots of land degradation is strongly related with the selection of soil tracers for sediment pathways. This research proposes the complementary and integrated application of two analytical techniques to select the most suitable fingerprint tracers for identifying the main sources of sediments in an agricultural catchment located in Central Argentina with erosive loess soils. Diffuse reflectance Fourier transformed in the mid-infrared range (DRIFT-MIR) spectroscopy and energy-dispersive X-ray fluorescence (EDXRF) were used for a suitable fingerprint selection. For using DRIFT-MIR spectroscopy as fingerprinting technique, calibration through quantitative parameters is needed to link and correlate DRIFT-MIR spectra with soil tracers. EDXRF was used in this context for determining the concentrations of geochemical elements in soil samples. The selected tracers were confirmed using two artificial mixtures composed of known proportions of soil collected in different sites with distinctive soil uses. These fingerprint elements were used as parameters to build a predictive model with the whole set of DRIFT-MIR spectra. Fingerprint elements such as phosphorus, iron, calcium, barium, and titanium were identified for obtaining a suitable reconstruction of the source proportions in the artificial mixtures. Mid-infrared spectra produced successful prediction models (R 2  = 0.91) for Fe content and moderate useful prediction (R 2  = 0.72) for Ti content. For Ca, P, and Ba, the R 2 were 0.44, 0.58, and 0.59 respectively.

Toxic industrial chemicals and chemical weapons: exposure, identification, and management by syndrome.

PubMed

Tomassoni, Anthony J; French, Robert N E; Walter, Frank G

2015-02-01

Toxidromes aid emergency care providers in the context of the patient presenting with suspected poisoning, unexplained altered mental status, unknown hazardous materials or chemical weapons exposure, or the unknown overdose. The ability to capture an adequate chemical exposure history and to recognize toxidromes may reduce dependence on laboratory tests, speed time to delivery of specific antidote therapy, and improve selection of supportive care practices tailored to the etiologic agent. This article highlights elements of the exposure history and presents selected toxidromes that may be caused by toxic industrial chemicals and chemical weapons. Specific antidotes for toxidromes and points regarding their use, and special supportive measures, are presented. Copyright © 2015 Elsevier Inc. All rights reserved.

Chemical Mahjong

ERIC Educational Resources Information Center

Cossairt, Travis J.; Grubbs, W. Tandy

2011-01-01

An open-access, Web-based mnemonic game is described whereby introductory chemistry knowledge is tested using mahjong solitaire game play. Several tile sets and board layouts are included that are themed upon different chemical topics. Introductory tile sets can be selected that prompt the player to match element names to symbols and metric…

Chemical Sample Processing for Combined Selenium Isotope and Selenium-Tellurium Elemental Investigation of the Earth's Igneous Reservoirs

NASA Astrophysics Data System (ADS)

Yierpan, Aierken; König, Stephan; Labidi, Jabrane; Kurzawa, Timon; Babechuk, Michael G.; Schoenberg, Ronny

2018-02-01

The redox-sensitive, chalcophile, and volatile Se stable isotope system offers new perspectives to investigate the origin and evolution of terrestrial volatiles and the roles of magmatic and recycling processes in the development of the redox contrast between Earth's reservoirs. Selenium isotope systematics become more robust in a well-constrained petrogenetic context as can be inferred from Se-Te elemental signatures of sulfides and igneous rocks. In this study, we present a high-yield chemical sample processing method that allows the determination of Se-Te concentrations and Se isotope composition from the same sample digest of silicate rocks by hydride generation isotope dilution (ID) quadrupole inductively coupled plasma mass spectrometry (ICP-MS) and double spike (DS) multicollector (MC)-ICP-MS, respectively. Our procedure yields ˜80% Se-Te recoveries with quantitative separation of relevant interfering elements such as Ge and HG-buffering metals. Replicate analyses of selected international reference materials yield uncertainties better than 0.11‰ (2 s.d.) on δ82/76Se and 3% (r.s.d.) on Se concentration for DS MC-ICP-MS determinations for as low as ˜10 ng sample Se. The precision of Se-Te concentration measurements by ID ICP-MS is better than 3% and 5% (r.s.d.) for total amounts of ˜0.5-1 ng Se and ˜0.2-0.5 ng Te, respectively. The basaltic reference materials have variable Se-Te contents, but their δ82/76Se values are rather uniform (on average 0.23 ± 0.14‰; 2 s.d.) and different from the chondritic value. This altogether provides the methodology and potential to extend the limited data set of coupled Se isotope and Se-Te elemental systematics of samples relevant to study the terrestrial igneous inventory.

In Vitro Screening of Environmental Chemicals Identifies Zearalenone as a Novel Substrate of the Placental BCRP/ABCG2 Transporter

PubMed Central

Xiao, Jingcheng; Wang, Qi; Bircsak, Kristin M.; Wen, Xia; Aleksunes, Lauren M.

2015-01-01

The BCRP (ABCG2) transporter is responsible for the efflux of chemicals from the placenta to the maternal circulation. Inhibition of BCRP activity could enhance exposure of offspring to environmental chemicals leading to altered reproductive, endocrine, and metabolic development. The purpose of this study was to characterize environmental chemicals as potential substrates and inhibitors of the human placental BCRP transporter. The interaction of BCRP with a panel of environmental chemicals was assessed using the ATPase and inverted plasma membrane vesicle assays as well as a cell-based fluorescent substrate competition assay. Human HEK cells transfected with wild-type BCRP or the Q141K genetic variant, as well as BeWo placental cells that endogenously express BCRP were used to further test inhibitor and substrate interactions. To varying degrees, the eleven chemicals inhibited BCRP activity in activated ATPase membranes and inverted membrane vesicles. Further, genistein, zearalenone, and tributyltin increased the retention of the fluorescent BCRP substrate, Hoechst 33342, between 50–100% in BeWo cells. Additional experiments characterized the mycotoxin and environmental estrogen, zearalenone, as a novel substrate and inhibitor of BCRP in WT-BCRP and BeWo cells. Interestingly, the BCRP genetic variant Q141K exhibited reduced efflux of zearalenone compared to the wild-type protein. Taken together, screening assays and direct quantification experiments identified zearalenone as a novel human BCRP substrate. Additional in vivo studies are needed to directly determine whether placental BCRP prevents fetal exposure to zearalenone. PMID:26052432

Comparative study of the chemical composition and mineral element content of Artocarpus heterophyllus and Treculia africana seeds and seed oils.

PubMed

Ajayi, Ibironke Adetolu

2008-07-01

A comparative study of Artocarpus heterophyllus and Treculia africana seeds, both of Moraceae family, was carried out to establish their chemical compositions and evaluate their mineral element content in order to investigate the possibility of using them for human and or animal consumption and also to examine if there is a relationship between the properties of these seeds. A. heterophyllus and T. africana are rich in protein; their protein contents are higher than those from high protein animal sources such as beef and marine fishes. Both seeds have high carbohydrate content and could act as source of energy for animals if included in their diets. The oil contents of the seeds are 11.39% and 18.54% for A. heterophyllus and T. africana, respectively. The oils are consistently liquid at room temperature. The results of the physicochemical properties of the two seeds are comparable to those of conventional oil seeds such as groundnut and palm kernel oils and could be useful for nutritional and industrial purposes. The seeds were found to be good sources of mineral elements. The result revealed potassium to be the prevalent mineral elements which are 2470.00 ppm and 1680.00 ppm for A. heterophyllus and T. africana, respectively followed by sodium, magnesium and then calcium. They also contain reasonable quantity of iron, in particular A. heterophyllus 148.50 ppm.

Genome-wide Escherichia coli stress response and improved tolerance towards industrially relevant chemicals.

PubMed

Rau, Martin Holm; Calero, Patricia; Lennen, Rebecca M; Long, Katherine S; Nielsen, Alex T

2016-10-13

Economically viable biobased production of bulk chemicals and biofuels typically requires high product titers. During microbial bioconversion this often leads to product toxicity, and tolerance is therefore a critical element in the engineering of production strains. Here, a systems biology approach was employed to understand the chemical stress response of Escherichia coli, including a genome-wide screen for mutants with increased fitness during chemical stress. Twelve chemicals with significant production potential were selected, consisting of organic solvent-like chemicals (butanol, hydroxy-γ-butyrolactone, 1,4-butanediol, furfural), organic acids (acetate, itaconic acid, levulinic acid, succinic acid), amino acids (serine, threonine) and membrane-intercalating chemicals (decanoic acid, geraniol). The transcriptional response towards these chemicals revealed large overlaps of transcription changes within and between chemical groups, with functions such as energy metabolism, stress response, membrane modification, transporters and iron metabolism being affected. Regulon enrichment analysis identified key regulators likely mediating the transcriptional response, including CRP, RpoS, OmpR, ArcA, Fur and GadX. These regulators, the genes within their regulons and the above mentioned cellular functions therefore constitute potential targets for increasing E. coli chemical tolerance. Fitness determination of genome-wide transposon mutants (Tn-seq) subjected to the same chemical stress identified 294 enriched and 336 depleted mutants and experimental validation revealed up to 60 % increase in mutant growth rates. Mutants enriched in several conditions contained, among others, insertions in genes of the Mar-Sox-Rob regulon as well as transcription and translation related gene functions. The combination of the transcriptional response and mutant screening provides general targets that can increase tolerance towards not only single, but multiple chemicals.

Rayleigh-based, multi-element coral thermometry: A biomineralization approach to developing climate proxies

USGS Publications Warehouse

Gaetani, G.A.; Cohen, A.L.; Wang, Z.; Crusius, John

2011-01-01

This study presents a new approach to coral thermometry that deconvolves the influence of water temperature on skeleton composition from that of “vital effects”, and has the potential to provide estimates of growth temperatures that are accurate to within a few tenths of a degree Celsius from both tropical and cold-water corals. Our results provide support for a physico-chemical model of coral biomineralization, and imply that Mg2+ substitutes directly for Ca2+ in biogenic aragonite. Recent studies have identified Rayleigh fractionation as an important influence on the elemental composition of coral skeletons. Daily, seasonal and interannual variations in the amount of aragonite precipitated by corals from each “batch” of calcifying fluid can explain why the temperature dependencies of elemental ratios in coral skeleton differ from those of abiogenic aragonites, and are highly variable among individual corals. On the basis of this new insight into the origin of “vital effects” in coral skeleton, we developed a Rayleigh-based, multi-element approach to coral thermometry. Temperature is resolved from the Rayleigh fractionation signal by combining information from multiple element ratios (e.g., Mg/Ca, Sr/Ca, Ba/Ca) to produce a mathematically over-constrained system of Rayleigh equations. Unlike conventional coral thermometers, this approach does not rely on an initial calibration of coral skeletal composition to an instrumental temperature record. Rather, considering coral skeletogenesis as a biologically mediated, physico-chemical process provides a means to extract temperature information from the skeleton composition using the Rayleigh equation and a set of experimentally determined partition coefficients. Because this approach is based on a quantitative understanding of the mechanism that produces the “vital effect” it should be possible to apply it both across scleractinian species and to corals growing in vastly different environments. Where

Rare earth elements as a fingerprint of soil components solubilization

NASA Astrophysics Data System (ADS)

Davranche, M.; Grybos, M.; Gruau, G.; Pédrot, M.; Dia, A.

2009-04-01

The retention of rare earth element (REE) in the soil profile are mainly controlled by three factors, (i) the stability of the primary REE-carrying minerals, (ii) the presence of secondary phases as clays and Fe- and Mn-oxyhydroxides and (ii) the concentration of colloidal organic matter (OM). Considering that each soil phases (mineral or organic) displays (ii) various surface properties, such as specific area, surface sites density and nature and (ii) their own REE distribution inherited from the rock weathering, their mobilization through various chemical reactions (dissolution, colloidal release….) may involve the development of various shaped REE patterns in the soil solutions. REE fractionation from the different soil phases may therefore be used to identify the response of the soil system to a particular chemical process such as reductive and/or acidic dissolution. To test this purpose, an organic-rich wetland soil sample was incubated under anaerobic condition at both pH 5 and uncontrolled pH. The REE patterns developed in the soil solution were then compared to the REE patterns obtained through either aerobic at pH 3 and 7 incubations or a chemical reduction experiment (using hydroxylamine). REE patterns in anaerobic and aerobic at pH 7 experiments exhibited the same middle rare earth element (MREE) downward concavity significant of the complexation of REE with soil OM. By contrast, under acidic condition, the REE pattern exhibited a positive Eu anomaly due to the dissolution of soil feldspar. Finally, REE pattern obtained from the chemical reducing experiment showed an intermediary flat shape corresponding to a mixing between the soil organic and mineral phases dissolution. The comparison of the various REE pattern shapes allowed to conclude that (i) biological reduction of wetland soil involved amorphous Fe(III) colloids linked to OM and, (ii) that the REE mobility was controlled by the dynamic of OM in wetland soil. They also evidence the potential of

Identification of helix capping and β-turn motifs from NMR chemical shifts

PubMed Central

Shen, Yang; Bax, Ad

2012-01-01

We present an empirical method for identification of distinct structural motifs in proteins on the basis of experimentally determined backbone and 13Cβ chemical shifts. Elements identified include the N-terminal and C-terminal helix capping motifs and five types of β-turns: I, II, I′, II′ and VIII. Using a database of proteins of known structure, the NMR chemical shifts, together with the PDB-extracted amino acid preference of the helix capping and β-turn motifs are used as input data for training an artificial neural network algorithm, which outputs the statistical probability of finding each motif at any given position in the protein. The trained neural networks, contained in the MICS (motif identification from chemical shifts) program, also provide a confidence level for each of their predictions, and values ranging from ca 0.7–0.9 for the Matthews correlation coefficient of its predictions far exceed that attainable by sequence analysis. MICS is anticipated to be useful both in the conventional NMR structure determination process and for enhancing on-going efforts to determine protein structures solely on the basis of chemical shift information, where it can aid in identifying protein database fragments suitable for use in building such structures. PMID:22314702

Element-abundance inhomogeneity of interstellar matter as it follows from the chemical composition of the O-type supergiants HDE 226868 (Cyg X-1) and *alpha; Cam

NASA Astrophysics Data System (ADS)

Bochkarev, N. G.; Karitskaya, E. A.; Shimanskii, V. V.; Galazutdinov, G. A.

2013-10-01

By means of synthetic spectrum modeling with non-LTE effects, we determined element abundances in the atmospheres of two O supergiants with similar physical characteristics: HDE 226868 (the optical component of Cyg X-1) and α Cam. These objects are situated at the distance about 2.5 kpc from each other. HDE 226868 has higher abundances compared to α Cam. The differences of Al, S, Zn, and averaged CNO abundances are within 0.15-0.30 dex. This is in a good qualitative agreement with the inhomogeneity of the heavy-element distribution over the Galactic disk derived by Luck et al. (2006) from Cepheids. This finding confirms the inhomogeneity of chemical-element distribution on the scale of 2 kpc and is in agreement with the concept of interstellar-matter superclouds preserving their intrinsic particularities on a time scale in excess of 1 Gyr.

Prospects for Chemically Tagging Stars in the Galaxy

NASA Astrophysics Data System (ADS)

Ting, Yuan-Sen; Conroy, Charlie; Goodman, Alyssa

2015-07-01

It is now well-established that the elemental abundance patterns of stars hold key clues not only to their formation, but also to the assembly histories of galaxies. One of the most exciting possibilities is the use of stellar abundance patterns as “chemical tags” to identify stars that were born in the same molecular cloud. In this paper, we assess the prospects of chemical tagging as a function of several key underlying parameters. We show that in the fiducial case of 104 distinct cells in chemical space and {10}5-{10}6 stars in the survey, one can expect to detect ∼ {10}2-{10}3 groups that are ≥slant 5σ overdensities in the chemical space. However, we find that even very large overdensities in chemical space do not guarantee that the overdensity is due to a single set of stars from a common birth cloud. In fact, for our fiducial model parameters, the typical 5σ overdensity is comprised of stars from a wide range of clusters with the most dominant cluster contributing only 25% of the stars. The most important factors limiting the identification of disrupted clusters via chemical tagging are the number of chemical cells in the chemical space and the survey sampling rate of the underlying stellar population. Both of these factors can be improved through strategic observational plans. While recovering individual clusters through chemical tagging may prove challenging, we show, in agreement with previous work, that different CMFs imprint different degrees of clumpiness in chemical space. These differences provide the opportunity to statistically reconstruct the slope and high-mass cutoff of CMF and its evolution through cosmic time.

Using support vector machines to improve elemental ion identification in macromolecular crystal structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morshed, Nader; Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Echols, Nathaniel, E-mail: nechols@lbl.gov

2015-05-01

A method to automatically identify possible elemental ions in X-ray crystal structures has been extended to use support vector machine (SVM) classifiers trained on selected structures in the PDB, with significantly improved sensitivity over manually encoded heuristics. In the process of macromolecular model building, crystallographers must examine electron density for isolated atoms and differentiate sites containing structured solvent molecules from those containing elemental ions. This task requires specific knowledge of metal-binding chemistry and scattering properties and is prone to error. A method has previously been described to identify ions based on manually chosen criteria for a number of elements. Here,more » the use of support vector machines (SVMs) to automatically classify isolated atoms as either solvent or one of various ions is described. Two data sets of protein crystal structures, one containing manually curated structures deposited with anomalous diffraction data and another with automatically filtered, high-resolution structures, were constructed. On the manually curated data set, an SVM classifier was able to distinguish calcium from manganese, zinc, iron and nickel, as well as all five of these ions from water molecules, with a high degree of accuracy. Additionally, SVMs trained on the automatically curated set of high-resolution structures were able to successfully classify most common elemental ions in an independent validation test set. This method is readily extensible to other elemental ions and can also be used in conjunction with previous methods based on a priori expectations of the chemical environment and X-ray scattering.« less

Identifying Type Ia Supernova Mechanisms in Dwarf Spheroidal Galaxies through Analysis of Iron-peak Elemental Abundances

NASA Astrophysics Data System (ADS)

Guo, Rachel; Xie, Justin Long; Kirby, Evan N.

2017-01-01

Through the fusion of nucleons to produce elements heavier than hydrogen and helium, stellar nucleosynthesis produces most of the elements in the universe. Such is the case in a supernova explosion, which creates most of the elements on the periodic table—including iron-peak elements, atomic numbers 21 through 30—through nucleosynthesis and ejects them into the interstellar medium. In this study, we determine the best theoretical supernova model appropriate for the stars in the dwarf spheroidal galaxies Sculptor, Fornax, Ursa Minor, and Leo II by calculating the abundances of iron-peak elements in these stars. To determine iron-peak elemental abundances, we compare synthesized spectra with observed spectra from medium-resolution spectroscopy and determine the best-fitting spectrum by way of a chi-squared minimization. Through inspecting the relationship between the iron-peak element abundances and the abundance of iron itself and by comparing them to previously hypothesized supernova model theories, we discover that the near-Chandrasekhar mass “n1” model, as predicted by Seitenzahl et al., most accurately represents the trends and patterns within our data, presenting new insight into Type Ia supernovae mechanisms within the Milky Way and beyond.

Micro-Spectroscopic Chemical Imaging of Individual Identified Marine Biogenic and Ambient Organic Ice Nuclei (Invited)

NASA Astrophysics Data System (ADS)

Knopf, D. A.; Alpert, P. A.; Wang, B.; OBrien, R. E.; Moffet, R. C.; Aller, J. Y.; Laskin, A.; Gilles, M.

2013-12-01

Atmospheric ice formation represents one of the least understood atmospheric processes with important implications for the hydrological cycle and climate. Current freezing descriptions assume that ice active sites on the particle surface initiate ice nucleation, however, the nature of these sites remains elusive. Here, we present a new experimental method that allows us to relate physical and chemical properties of individual particles with observed water uptake and ice nucleation ability using a combination of micro-spectroscopic and optical single particle analytical techniques. We apply this method to field-collected particles and particles generated via bursting of bubbles produced by glass frit aeration and plunging water impingement jets in a mesocosm containing artificial sea water and bacteria and/or phytoplankton. The most efficient ice nuclei (IN) within a particle population are identified and characterized. Single particle characterization is achieved by computer controlled scanning electron microscopy with energy dispersive analysis of X-rays (CCSEM/EDX) and scanning transmission X-ray microscopy with near edge X-ray absorption fine structure spectroscopy. A vapor controlled cooling-stage coupled to an optical microscope is used to determine the onsets of water uptake, immersion freezing, and deposition ice nucleation of the individual particles as a function of temperature (T) as low as 200 K and relative humidity (RH) up to water saturation. In addition, we perform CCSEM/EDX to obtain on a single particle level the elemental composition of the entire particle population. Thus, we can determine if the IN are exceptional in nature or belong to a major particle type class with respect to composition and size. We find that ambient and sea spray particles are coated by organic material and can induce ice formation under tropospheric relevant conditions. Micro-spectroscopic single particle analysis of the investigated particle samples invokes a potential

iSS-PC: Identifying Splicing Sites via Physical-Chemical Properties Using Deep Sparse Auto-Encoder.

PubMed

Xu, Zhao-Chun; Wang, Peng; Qiu, Wang-Ren; Xiao, Xuan

2017-08-15

Gene splicing is one of the most significant biological processes in eukaryotic gene expression, such as RNA splicing, which can cause a pre-mRNA to produce one or more mature messenger RNAs containing the coded information with multiple biological functions. Thus, identifying splicing sites in DNA/RNA sequences is significant for both the bio-medical research and the discovery of new drugs. However, it is expensive and time consuming based only on experimental technique, so new computational methods are needed. To identify the splice donor sites and splice acceptor sites accurately and quickly, a deep sparse auto-encoder model with two hidden layers, called iSS-PC, was constructed based on minimum error law, in which we incorporated twelve physical-chemical properties of the dinucleotides within DNA into PseDNC to formulate given sequence samples via a battery of cross-covariance and auto-covariance transformations. In this paper, five-fold cross-validation test results based on the same benchmark data-sets indicated that the new predictor remarkably outperformed the existing prediction methods in this field. Furthermore, it is expected that many other related problems can be also studied by this approach. To implement classification accurately and quickly, an easy-to-use web-server for identifying slicing sites has been established for free access at: http://www.jci-bioinfo.cn/iSS-PC.

Origin of the Elements

NASA Astrophysics Data System (ADS)

Truran, J. W., Jr.; Heger, A.

2003-12-01

Nucleosynthesis is the study of the nuclear processes responsible for the formation of the elements which constitute the baryonic matter of the Universe. The elements of which the Universe is composed indeed have a quite complicated nucleosynthesis history, which extends from the first three minutes of the Big Bang through to the present. Contemporary nucleosynthesis theory associates the production of certain elements/isotopes or groups of elements with a number of specific astrophysical settings, the most significant of which are: (i) the cosmological Big Bang, (ii) stars, and (iii) supernovae.Cosmological nucleosynthesis studies predict that the conditions characterizing the Big Bang are consistent with the synthesis only of the lightest elements: 1H, 2H, 3He, 4He, and 7Li (Burles et al., 2001; Cyburt et al., 2002). These contributions define the primordial compositions both of galaxies and of the first stars formed therein. Within galaxies, stars and supernovae play the dominant role both in synthesizing the elements from carbon to uranium and in returning heavy-element-enriched matter to the interstellar gas from which new stars are formed. The mass fraction of our solar system (formed ˜4.6 Gyr ago) in the form of heavy elements is ˜1.8%, and stars formed today in our galaxy can be a factor 2 or 3 more enriched (Edvardsson et al., 1993). It is the processes of nucleosynthesis operating in stars and supernovae that we will review in this chapter. We will confine our attention to three broad categories of stellar and supernova site with which specific nucleosynthesis products are understood to be identified: (i) intermediate mass stars, (ii) massive stars and associated type II supernovae, and (iii) type Ia supernovae. The first two of these sites are the straightforward consequence of the evolution of single stars, while type Ia supernovae are understood to result from binary stellar evolution.Stellar nucleosynthesis resulting from the evolution of single

Chemical variability in the essential oil of leaves of Araçá (Psidium guineense Sw.), with occurrence in the Amazon.

PubMed

Figueiredo, Pablo Luis B; Silva, Renan C; da Silva, Joyce Kelly R; Suemitsu, Chieno; Mourão, Rosa Helena V; Maia, José Guilherme S

2018-05-10

Psidium guineense, known as Araçá, is a Brazilian botanical resource with commercial application perspectives, based on the functional elements of its fruits and due to the use of its leaves as an anti-inflammatory and antibacterial agent. The essential oils of leaves of twelve specimens of Araçá were analyzed by GC and GC-MS to identify their volatile constituents and associate them with the biological activities reputed to the plant. In a total of 157 identified compounds, limonene, α-pinene, β-caryophyllene, epi-β-bisabolol, caryophyllene oxide, β-bisabolene, α-copaene, myrcene, muurola-4,10(14)-dien-1-β-ol, β-bisabolol, and ar-curcumene were the primary components in descending order up to 5%. Hierarchical Cluster Analysis (HCA) and Principal Component Analysis (PCA) displayed three different groups with the following chemical types: limonene/α-pinene, β-bisabolene/epi-β-bisabolol, and β-caryophyllene/caryophyllene oxide. With the previous description of another chemical type rich in spathulenol, it is now understood that at least four different chemotypes for P. guineense should occur. In addition to the use of the Araçá fruits, which are rich in minerals and functional elements, it should be borne in mind that the knowledge of the chemical composition of the essential oils of leaves of their different chemical types may contribute to the selection of varieties with more significant biological activity.

Effects of chemical alternation on damage accumulation in concentrated solid-solution alloys

DOE PAGES

Ullah, Mohammad W.; Xue, Haizhou; Velisa, Gihan; ...

2017-06-23

Single-phase concentrated solid-solution alloys (SP-CSAs) have recently gained unprecedented attention due to their promising properties. To understand effects of alloying elements on irradiation-induced defect production, recombination and evolution, an integrated study of ion irradiation, ion beam analysis and atomistic simulations are carried out on a unique set of model crystals with increasing chemical complexity, from pure Ni to Ni 80Fe 20, Ni 50Fe 50, and Ni 80Cr 20 binaries, and to a more complex Ni 40Fe 40Cr 20 alloy. Both experimental and simulation results suggest that the binary and ternary alloys exhibit higher radiation resistance than elemental Ni. The modelingmore » work predicts that Ni 40Fe 40Cr 20 has the best radiation tolerance, with the number of surviving Frenkel pairs being factors of 2.0 and 1.4 lower than pure Ni and the 80:20 binary alloys, respectively. While the reduced defect mobility in SP-CSAs is identified as a general mechanism leading to slower growth of large defect clusters, the effect of specific alloying elements on suppression of damage accumulation is clearly demonstrated. This work suggests that concentrated solid-solution provides an effective way to enhance radiation tolerance by creating elemental alternation at the atomic level. The demonstrated chemical effects on defect dynamics may inspire new design principles of radiation-tolerant structural alloys for advanced energy systems.« less

Mapping student thinking in chemical synthesis

NASA Astrophysics Data System (ADS)

Weinrich, Melissa

In order to support the development of learning progressions about central ideas and practices in different disciplines, we need detailed analyses of the implicit assumptions and reasoning strategies that guide students' thinking at different educational levels. In the particular case of chemistry, understanding how new chemical substances are produced (chemical synthesis) is of critical importance. Thus, we have used a qualitative research approach based on individual interviews with first semester general chemistry students (n = 16), second semester organic chemistry students (n = 15), advanced undergraduates (n = 9), first year graduate students (n = 15), and PhD candidates (n = 16) to better characterize diverse students' underlying cognitive elements (conceptual modes and modes of reasoning) when thinking about chemical synthesis. Our results reveal a great variability in the cognitive resources and strategies used by students with different levels of training in the discipline to make decisions, particularly at intermediate levels of expertise. The specific nature of the task had a strong influence on the conceptual sophistication and mode of reasoning that students exhibited. Nevertheless, our data analysis has allowed us to identify common modes of reasoning and assumptions that seem to guide students' thinking at different educational levels. Our results should facilitate the development of learning progressions that help improve chemistry instruction, curriculum, and assessment.

Seasonal changes in chemical and mineralogical composition of sewage sludge incineration residues and their potential for metallic elements and valuable components recovery

NASA Astrophysics Data System (ADS)

Kasina, Monika; Kowalski, Piotr R.; Michalik, Marek

2017-04-01

Increasing energy needs, the implementation of the circular economy principles and rising environmental awareness caused that waste management is becoming a major social and economic issue. The EU Member States have committed to a significant reduction in the amount of waste produced and landfilled and to use their inherent energy and raw materials potential. One of the most reasonable option to fulfil these commitments is waste incineration. The aim of the waste incineration is to reduce their volume and toxicity by disinfection and detoxification at high temperatures. Thermal process and reduction of volume allows the recovery of minerals and metallic elements from residues as well as the energy production (waste-to-energy strategy) during incineration. As a result of waste incineration a variety of solid residues (bottom ash, fly ash, air pollution control residues) and technological waste (gas waste, wastewater) are produced. The goal of this study is to characterize fly ash and air pollution control (APC) residues formed as a result of municipal sewage sludge incineration in terms of their chemical and mineral composition and their extractive potential. Residues were sampled quarterly to study their seasonal changes in composition. The fly ash was a Si-P-C-Fe-Al dominated material, whereas the APC residues composition was dominated by Na-rich soluble phases. The removal of soluble phase ( 98% of the material) from the APC residues by dissolution in deionised water caused significant mass reduction and concentration of non-soluble elements. The main mineral phases in fly ash were quartz, hematite, Fe-PO4, whitlockite and feldspar, while in APC thenardite, and in lower amount calcite, apatite and quartz were present. The chemical composition of fly ash was practically invariable in different seasons, but significant differences were observed in APC residues. The lowest concentrations of all elements and the highest TOC content were measured in the samples

Chemical genetic screening identifies a novel inhibitor of parallel alignment of cortical microtubules and cellulose microfibrils.

PubMed

Yoneda, Arata; Higaki, Takumi; Kutsuna, Natsumaro; Kondo, Yoichi; Osada, Hiroyuki; Hasezawa, Seiichiro; Matsui, Minami

2007-10-01

It is a well-known hypothesis that cortical microtubules control the direction of cellulose microfibril deposition, and that the parallel cellulose microfibrils determine anisotropic cell expansion and plant cell morphogenesis. However, the molecular mechanism by which cortical microtubules regulate the orientation of cellulose microfibrils is still unclear. To investigate this mechanism, chemical genetic screening was performed. From this screening, 'SS compounds' were identified that induced a spherical swelling phenotype in tobacco BY-2 cells. The SS compounds could be categorized into three classes: those that disrupted the cortical microtubules; those that reduced cellulose microfibril content; and thirdly those that had neither of these effects. In the last class, a chemical designated 'cobtorin' was found to induce the spherical swelling phenotype at the lowest concentration, suggesting strong binding activity to the putative target. Examining cellulose microfibril regeneration using taxol-treated protoplasts revealed that the cobtorin compound perturbed the parallel alignment of pre-existing cortical microtubules and nascent cellulose microfibrils. Thus, cobtorin could be a novel inhibitor and an attractive tool for further investigation of the mechanism that enables cortical microtubules to guide the parallel deposition of cellulose microfibrils.

[Chemical pollution of baby food products in the Russian Federation].

PubMed

Pivovarov, Yu P; Milushkina, O Yu; Tikhonova, y l; Aksenova, O I; Kalinovskaya, M V

One of the main problems of nutrition of children and adolescents is to assess chemical contamination of baby food products and the establishment of the relation with the health of the child population. With the entering different chemical compounds in the body of the child there can be observed disorders of the nervous, urinary, cardiovascular system, gastrointestinal tract, as well as metabolic deteriorations, degenerative processes in parenchymal organs and bone destruction. The aim of the study was to analyze data on chemical contamination of baby food products in the Russian Federation for 2012-2014. The analysis was executed on the data of Federal Information Fund of social and hygienic monitoring of the Russian Federation. There were identified priority pollutants (toxic elements, nitrites, nitrates, nitrosamines, pesticides, hydroxymethylfurfural, mycotoxins) and risk areas (the Lipetsk region, the Krasnodar Territory, the Republic of Adygea, city of Moscow, Tatarstan, the Kabardino-Balkar Republic, the Ryazan region). There are detected contamination levels not exceeding MAC (in the dynamics of the three years offollow up, on average 22%), requiring their hygienic assessment. There were determined the baby food products containing most common occurred chemical contaminants: fruits and vegetables products, canned products, canned meat, cereals, dairy products, liquid and adapted and partially adapted milk formalas. Identified data indicate to a need for further studies of chemical substances in products for children’s nutrition in order to establish the causal relationships with a various diseases and the substantiation of methodological approaches to the risk assessment of combined exposure to chemical contaminants in concentrations up to the MPC on health of children, including infants.

Anemonefishes rely on visual and chemical cues to correctly identify conspecifics

NASA Astrophysics Data System (ADS)

Johnston, Nicole K.; Dixson, Danielle L.

2017-09-01

Organisms rely on sensory cues to interpret their environment and make important life-history decisions. Accurate recognition is of particular importance in diverse reef environments. Most evidence on the use of sensory cues focuses on those used in predator avoidance or habitat recognition, with little information on their role in conspecific recognition. Yet conspecific recognition is essential for life-history decisions including settlement, mate choice, and dominance interactions. Using a sensory manipulated tank and a two-chamber choice flume, anemonefish conspecific response was measured in the presence and absence of chemical and/or visual cues. Experiments were then repeated in the presence or absence of two heterospecific species to evaluate whether a heterospecific fish altered the conspecific response. Anemonefishes responded to both the visual and chemical cues of conspecifics, but relied on the combination of the two cues to recognize conspecifics inside the sensory manipulated tank. These results contrast previous studies focusing on predator detection where anemonefishes were found to compensate for the loss of one sensory cue (chemical) by utilizing a second cue (visual). This lack of sensory compensation may impact the ability of anemonefishes to acclimate to changing reef environments in the future.

ORNL, partners officially recognized for discovery of elements 115, 117

ScienceCinema

Roberto, Jim

2018-01-16

The International Union for Pure and Applied Chemistry has announced formal verification of four new chemical elements, recognizing the Department of Energy’s Oak Ridge National Laboratory and its collaborators for the discovery of elements 115 and 117.

Identifying Breast Cancer Oncogenes

DTIC Science & Technology

2009-10-01

study by Boehm et al. (2007) identified IKBKE as a breast cancer oncogene that cooperates with HMLE -MEKDD to replace the function of myr-AKT in...1-0767 TITLE: Identifying Breast Cancer Oncogenes ~ PRINCIPAL INVESTIGATOR: Yashaswi Shrestha...Identifying Breast Cancer Oncogenes 5a. CONTRACT NUMBER W81XWH-08-1-0767 5b. GRANT NUMBER BC083061 - PreDoc 5c. PROGRAM ELEMENT NUMBER 6

Potential hazards to embryo implantation: A human endometrial in vitro model to identify unwanted antigestagenic actions of chemicals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fischer, L.; Deppert, W.R.; Pfeifer, D.

Embryo implantation is a crucial step in human reproduction and depends on the timely development of a receptive endometrium. The human endometrium is unique among adult tissues due to its dynamic alterations during each menstrual cycle. It hosts the implantation process which is governed by progesterone, whereas 17β-estradiol regulates the preceding proliferation of the endometrium. The receptors for both steroids are targets for drugs and endocrine disrupting chemicals. Chemicals with unwanted antigestagenic actions are potentially hazardous to embryo implantation since many pharmaceutical antiprogestins adversely affect endometrial receptivity. This risk can be addressed by human tissue-specific in vitro assays. As workingmore » basis we compiled data on chemicals interacting with the PR. In our experimental work, we developed a flexible in vitro model based on human endometrial Ishikawa cells. Effects of antiprogestin compounds on pre-selected target genes were characterized by sigmoidal concentration–response curves obtained by RT-qPCR. The estrogen sulfotransferase (SULT1E1) was identified as the most responsive target gene by microarray analysis. The agonistic effect of progesterone on SULT1E1 mRNA was concentration-dependently antagonized by RU486 (mifepristone) and ZK137316 and, with lower potency, by 4-nonylphenol, bisphenol A and apigenin. The negative control methyl acetoacetate showed no effect. The effects of progesterone and RU486 were confirmed on the protein level by Western blotting. We demonstrated proof of principle that our Ishikawa model is suitable to study quantitatively effects of antiprogestin-like chemicals on endometrial target genes in comparison to pharmaceutical reference compounds. This test is useful for hazard identification and may contribute to reduce animal studies. -- Highlights: ► We compare progesterone receptor-mediated endometrial effects of chemicals and drugs. ► 4-Nonylphenol, bisphenol A and apigenin exert weak

Principles of Sterilization of Mars Descent Vehicle Elements

NASA Astrophysics Data System (ADS)

Trofimov, Vladislav; Deshevaya, Elena; Khamidullina, N.; Kalashnikov, Viktor

Due to COSPAR severe requirements to permissible microbiological contamination of elements of down-to-Mars S/C as well as complexity of their chemical composition and structure the exposure of such S/C elements to antimicrobial treatment (sterilization) at their integration requires application of a wide set of methods: chemical, ultraviolet, radiation. The report describes the analysis of all the aspects of applicable methods of treatment for cleaning of elements’ surfaces and inner contents from microbiota. The analysis showed that the most important, predictable and controllable method is radiation processing (of the elements which don’t change their properties after effective treatment). The experience of ionizing radiation application for sterilization of products for medicine, etc. shows that, depending on initial microbial contamination of lander elements, the required absorbed dose can be within the range 12 ÷ 35 kGr. The analysis of the effect of irregularity of radiation absorption in complex structure elements to the choice of radiation methodology was made and the algorithm of the choice of effective conditions of radiation treatment and control of sterilization efficiency was suggested. The important phase of establishing of the effective condition of each structure element treatment is experimental verification of real microbiological contamination in terms of S/C integration, contamination maximum decrease using another cleaning procedures (mechanical, chemical, ultraviolet) and determination of radiation resistance of spore microorganisms typical for the shops of space technology manufacturing and assembling. Proceeding from three parameters (irregularity of radiation absorption in a concrete element, its initial microbial contamination and resistance of microorganisms to the effect of radiation) the condition of the packed object sterilization is chosen, the condition that prevents secondary contamination, ensures given reliability of the

Determination of element affinities by density fractionation of bulk coal samples

USGS Publications Warehouse

Querol, X.; Klika, Z.; Weiss, Z.; Finkelman, R.B.; Alastuey, A.; Juan, R.; Lopez-Soler, A.; Plana, F.; Kolker, A.; Chenery, S.R.N.

2001-01-01

A review has been made of the various methods of determining major and trace element affinities for different phases, both mineral and organic in coals, citing their various strengths and weaknesses. These include mathematical deconvolution of chemical analyses, direct microanalysis, sequential extraction procedures and density fractionation. A new methodology combining density fractionation with mathematical deconvolution of chemical analyses of whole coals and their density fractions has been evaluated. These coals formed part of the IEA-Coal Research project on the Modes of Occurrence of Trace Elements in Coal. Results were compared to a previously reported sequential extraction methodology and showed good agreement for most elements. For particular elements (Be, Mo, Cu, Se and REEs) in specific coals where disagreement was found, it was concluded that the occurrence of rare trace element bearing phases may account for the discrepancy, and modifications to the general procedure must be made to account for these.

Sampling strategy and analysis of trace element concentrations by inductively coupled plasma mass spectrometry on medieval human bones--the concept of chemical life history.

PubMed

Skytte, Lilian; Rasmussen, Kaare Lund

2013-07-30

Medieval human bones have the potential to reveal diet, mobility and treatment of diseases in the past. During the last two decades trace element chemistry has been used extensively in archaeometric investigations revealing such data. Many studies have reported the trace element inventory in only one sample from each skeleton - usually from the femur or a tooth. It cannot a priori be assumed that all bones or teeth in a skeleton will have the same trace element concentrations. Six different bone and teeth samples from each individual were carefully decontaminated by mechanical means. Following dissolution of ca. 20 mg sample in nitric acid and hydrogen peroxide the assays were performed using inductively coupled plasma mass spectrometry (ICPMS) with quadropole detection. We describe the precise sampling technique as well as the analytical methods and parameters used for the ICPMS analysis. The places of sampling in the human skeleton did exhibit varying trace element concentrations. Although the samples are contaminated by Fe, Mn and Al from the surrounding soil where the bones have been residing for more than 500 years, other trace elements are intact within the bones. It is shown that the elemental ratios Sr/Ca and Ba/Ca can be used as indicators of provenance. The differences in trace element concentrations can be interpreted as indications of varying diet and provenance as a function of time in the life of the individual - a concept which can be termed chemical life history. A few examples of the results of such analyses are shown, which contains information about provenance and diagenesis. Copyright © 2013 John Wiley & Sons, Ltd.

Uncertainties in Galactic Chemical Evolution Models

DOE PAGES

Cote, Benoit; Ritter, Christian; Oshea, Brian W.; ...

2016-06-15

Here we use a simple one-zone galactic chemical evolution model to quantify the uncertainties generated by the input parameters in numerical predictions for a galaxy with properties similar to those of the Milky Way. We compiled several studies from the literature to gather the current constraints for our simulations regarding the typical value and uncertainty of the following seven basic parameters: the lower and upper mass limits of the stellar initial mass function (IMF), the slope of the high-mass end of the stellar IMF, the slope of the delay-time distribution function of Type Ia supernovae (SNe Ia), the number ofmore » SNe Ia per M ⊙ formed, the total stellar mass formed, and the final mass of gas. We derived a probability distribution function to express the range of likely values for every parameter, which were then included in a Monte Carlo code to run several hundred simulations with randomly selected input parameters. This approach enables us to analyze the predicted chemical evolution of 16 elements in a statistical manner by identifying the most probable solutions along with their 68% and 95% confidence levels. Our results show that the overall uncertainties are shaped by several input parameters that individually contribute at different metallicities, and thus at different galactic ages. The level of uncertainty then depends on the metallicity and is different from one element to another. Among the seven input parameters considered in this work, the slope of the IMF and the number of SNe Ia are currently the two main sources of uncertainty. The thicknesses of the uncertainty bands bounded by the 68% and 95% confidence levels are generally within 0.3 and 0.6 dex, respectively. When looking at the evolution of individual elements as a function of galactic age instead of metallicity, those same thicknesses range from 0.1 to 0.6 dex for the 68% confidence levels and from 0.3 to 1.0 dex for the 95% confidence levels. The uncertainty in our chemical

Screening for Chemical Contributions to Breast Cancer Risk: A Case Study for Chemical Safety Evaluation

PubMed Central

Ackerman, Janet M.; Dairkee, Shanaz H.; Fenton, Suzanne E.; Johnson, Dale; Navarro, Kathleen M.; Osborne, Gwendolyn; Rudel, Ruthann A.; Solomon, Gina M.; Zeise, Lauren; Janssen, Sarah

2015-01-01

Background Current approaches to chemical screening, prioritization, and assessment are being reenvisioned, driven by innovations in chemical safety testing, new chemical regulations, and demand for information on human and environmental impacts of chemicals. To conceptualize these changes through the lens of a prevalent disease, the Breast Cancer and Chemicals Policy project convened an interdisciplinary expert panel to investigate methods for identifying chemicals that may increase breast cancer risk. Methods Based on a review of current evidence, the panel identified key biological processes whose perturbation may alter breast cancer risk. We identified corresponding assays to develop the Hazard Identification Approach for Breast Carcinogens (HIA-BC), a method for detecting chemicals that may raise breast cancer risk. Finally, we conducted a literature-based pilot test of the HIA-BC. Results The HIA-BC identifies assays capable of detecting alterations to biological processes relevant to breast cancer, including cellular and molecular events, tissue changes, and factors that alter susceptibility. In the pilot test of the HIA-BC, chemicals associated with breast cancer all demonstrated genotoxic or endocrine activity, but not necessarily both. Significant data gaps persist. Conclusions This approach could inform the development of toxicity testing that targets mechanisms relevant to breast cancer, providing a basis for identifying safer chemicals. The study identified important end points not currently evaluated by federal testing programs, including altered mammary gland development, Her2 activation, progesterone receptor activity, prolactin effects, and aspects of estrogen receptor β activity. This approach could be extended to identify the biological processes and screening methods relevant for other common diseases. Citation Schwarzman MR, Ackerman JM, Dairkee SH, Fenton SE, Johnson D, Navarro KM, Osborne G, Rudel RA, Solomon GM, Zeise L, Janssen S. 2015

Introduction to Galactic Chemical Evolution

NASA Astrophysics Data System (ADS)

Matteucci, Francesca

2016-04-01

In this lecture I will introduce the concept of galactic chemical evolution, namely the study of how and where the chemical elements formed and how they were distributed in the stars and gas in galaxies. The main ingredients to build models of galactic chemical evolution will be described. They include: initial conditions, star formation history, stellar nucleosynthesis and gas flows in and out of galaxies. Then some simple analytical models and their solutions will be discussed together with the main criticisms associated to them. The yield per stellar generation will be defined and the hypothesis of instantaneous recycling approximation will be critically discussed. Detailed numerical models of chemical evolution of galaxies of different morphological type, able to follow the time evolution of the abundances of single elements, will be discussed and their predictions will be compared to observational data. The comparisons will include stellar abundances as well as interstellar medium ones, measured in galaxies. I will show how, from these comparisons, one can derive important constraints on stellar nucleosynthesis and galaxy formation mechanisms. Most of the concepts described in this lecture can be found in the monograph by Matteucci (2012).

Neural network processing of microbial fuel cell signals for the identification of chemicals present in water.

PubMed

Feng, Yinghua; Barr, William; Harper, W F

2013-05-15

Biosensing is emerging as an important element of water quality monitoring. This research demonstrated that microbial fuel cell (MFC)-based biosensing can be integrated with artificial neural networks (ANNs) to identify specific chemicals present in water samples. The non-fermentable substrates, acetate and butyrate, induced peak areas (PA) and peak heights (PH) that were generally larger than those caused by the injection of fermentable substrates, glucose and corn starch. The ANN successfully identified peaks associated with these four chemicals under a variety of experimental conditions and for two MFCs that had different levels of sensitivity. ANNs that employ the hyperbolic tangent sigmoid transfer function performed better than those using non-continuous transfer functions. ANNs should be integrated into water quality monitoring efforts for smart biosensing. Published by Elsevier Ltd.

Elements in the history of the Periodic Table.

PubMed

Rouvray, Dennis H

2004-06-01

Discovery of the Periodic Table was rendered possible only after four decisive prerequisites had been achieved. These were (i) the abandonment of the metaphysical and occult notions of elements that typified the alchemical era; (ii) the adoption of a modern and workable definition of an element; (iii) the development of analytical chemical techniques for the isolation of the elements and determination of their properties; and (iv) the devising of a means of associating each element with a characteristic natural number. The Periodic Table made its appearance on cue almost as soon as these preconditions had been fulfilled.

Study of the chemical elements and polycyclic aromatic hydrocarbons in atmospheric particles of PM 10 and PM 2.5 in the urban and rural areas of South Brazil

NASA Astrophysics Data System (ADS)

Dallarosa, Juliana; Calesso Teixeira, Elba; Meira, Lindolfo; Wiegand, Flavio

2008-07-01

The purpose of this work is to study the chemical elements and PAHs associated with atmospheric particulate in samples of PM 10 collected in the Metropolitan Area of Porto Alegre—MAPA, Rio Grande do Sul, Brazil. In addition, to study the chemical elements associated with particles of different fractions of PM 10-2.5 and PM 2.5 using dichotomous sampling, in urban (MAPA) and rural areas. Two types of samplers were used: HV PM 10 and Dichotomous (PM 10-2.5 and PM 2.5). Samples were collected during 2002 and 2005. The concentration of the elements Si, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, and Zn was determined by PIXE (Particle-Induced X-ray Emission), while the concentrations of 16 major PAHs were determined according to EPA with a gas chromatograph coupled to a mass spectrometer (GS/MS). Results showed that elements of anthropogenic origin (V, Zn, Cr, Ni, Cu, and S) were mainly associated with the fraction PM 2.5, while the soil dust (Si, Al, Ti and Fe) were found mainly on fraction PM 10-2.5. In samples of PM 10, the most frequent PAHs found were Bgp, Flt, BaA, Chr, B(b + k)F, BaP and Dba. The types of emission and their association with the atmospheric parameters were studied applying the statistical analysis of the principal component method. The main sources found in the area under study were vehicles, industries (steel mills and a coal-fired power station), dust, sea breeze, and burning.

Integrating long-term water and sediment pollution data, in assessing chemical status within the European Water Framework Directive.

PubMed

Tueros, Itziar; Borja, Angel; Larreta, Joana; Rodríguez, J Germán; Valencia, Victoriano; Millán, Esmeralda

2009-09-01

The European Water Framework Directive (WFD) establishes a framework for the protection and improvement of estuarine (transitional) and coastal waters, attempting to achieve good water status by 2015; this includes, within the assessment, biological and chemical elements. The European Commission has proposed a list of priority dangerous substances (including metals such as Cd, Hg, Ni and Pb), with the corresponding list of environmental quality standards (EQS), to assess chemical status, but only for waters. In this contribution, a long-term (1995-2007) dataset of transitional and coastal water and sediment trace elements concentrations, from the Basque Country (northern Spain), has been used to investigate the response of these systems to water treatment programmes. Moreover, the approach proposed in the WFD, for assessing water chemical status (the 'one out, all out' approach), is compared with the integration of water and sediment data, into a unique assessment. For this exercise, background levels are used as reference conditions, identifying the boundary between high and good chemical status. EQS are used as the boundary between good and moderate chemical status. This contribution reveals that the first approach can lead to misclassification, with the second approach representing the pattern shown by the long-term data trends. Finally, the management implications, using each approach are discussed.

Hexahedral finite element mesh coarsening using pillowing technique

DOEpatents

Staten, Matthew L [Pittsburgh, PA; Woodbury, Adam C [Provo, UT; Benzley, Steven E [Provo, UT; Shepherd, Jason F [Edgewood, NM

2012-06-05

A techniques for coarsening a hexahedral mesh is described. The technique includes identifying a coarsening region within a hexahedral mesh to be coarsened. A boundary sheet of hexahedral elements is inserted into the hexahedral mesh around the coarsening region. A column of hexahedral elements is identified within the boundary sheet. The column of hexahedral elements is collapsed to create an extraction sheet of hexahedral elements contained within the coarsening region. Then, the extraction sheet of hexahedral elements is extracted to coarsen the hexahedral mesh.

Trace elements in magnetite as petrogenetic indicators

NASA Astrophysics Data System (ADS)

Dare, Sarah A. S.; Barnes, Sarah-Jane; Beaudoin, Georges; Méric, Julien; Boutroy, Emilie; Potvin-Doucet, Christophe

2014-10-01

We have characterized the distribution of 25 trace elements in magnetite (Mg, Al, Si, P, Ca, Sc, Ti, V, Cr, Mn, Co, Ni, Cu, Zn, Ga, Ge, Y, Zr, Nb, Mo, Sn, Hf, Ta, W, and Pb), using laser ablation ICP-MS and electron microprobe, from a variety of magmatic and hydrothermal ore-forming environments and compared them with data from the literature. We propose a new multielement diagram, normalized to bulk continental crust, designed to emphasize the partitioning behavior of trace elements between magnetite, the melt/fluid, and co-crystallizing phases. The normalized pattern of magnetite reflects the composition of the melt/fluid, which in both magmatic and hydrothermal systems varies with temperature. Thus, it is possible to distinguish magnetite formed at different degrees of crystal fractionation in both silicate and sulfide melts. The crystallization of ilmenite or sulfide before magnetite is recorded as a marked depletion in Ti or Cu, respectively. The chemical signature of hydrothermal magnetite is distinct being depleted in elements that are relatively immobile during alteration and commonly enriched in elements that are highly incompatible into magnetite (e.g., Si and Ca). Magnetite formed from low-temperature fluids has the lowest overall abundance of trace elements due to their lower solubility. Chemical zonation of magnetite is rare but occurs in some hydrothermal deposits where laser mapping reveals oscillatory zoning, which records the changing conditions and composition of the fluid during magnetite growth. This new way of plotting all 25 trace elements on 1 diagram, normalized to bulk continental crust and elements in order of compatibility into magnetite, provides a tool to help understand the processes that control partitioning of a full suit of trace elements in magnetite and aid discrimination of magnetite formed in different environments. It has applications in both petrogenetic and provenance studies, such as in the exploration of ore deposits and in

Complementary standoff chemical imaging to map and identify artist materials in an early Italian Renaissance panel painting.

PubMed

Dooley, Kathryn A; Conover, Damon M; Glinsman, Lisha Deming; Delaney, John K

2014-12-08

Two imaging modalities based on molecular and elemental spectroscopy were used to characterize a painting by Cosimo Tura. Visible-to-near-infrared (400-1680 nm) reflectance imaging spectroscopy (RIS) and X-ray fluorescence (XRF) imaging spectroscopy were employed to identify pigments and determine their spatial distribution with higher confidence than from either technique alone. For example, Mary's red robe was modeled through the distribution of an insect-derived red lake (RIS map) and lead white (XRF lead map), rather than a layer of red lake on vermilion. The RIS image cube was also used to isolate the preparatory design by mapping the reflectance spectra associated with it. In conjunction with results from an earlier RIS study (1650-2500 nm) to map and identify the binding media, a more thorough understanding was gained of the materials and techniques used in the painting. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening

EPA Science Inventory

The new paradigm of toxicity testing approaches involves rapid screening of thousands of chemicals across hundreds of biological targets through use of in vitro assays. Such assays may lead to false negatives when the complex metabolic processes that render a chemical bioactive i...

Elemental Compositions of Comet 81P/Wild 2 Samples Collected by Stardust

NASA Technical Reports Server (NTRS)

Flynn, G. J.; Bleuet, P.; Borg, J.; Bradley, J.; Brenker, F.; Brennan, S.; Bridges, J.; Brownlee, D. E.; Bullock, E.; Clark, B. C.;

Tiered High-Throughput Screening Approach to Identify ...

EPA Pesticide Factsheets

High-throughput screening (HTS) for potential thyroid–disrupting chemicals requires a system of assays to capture multiple molecular-initiating events (MIEs) that converge on perturbed thyroid hormone (TH) homeostasis. Screening for MIEs specific to TH-disrupting pathways is limited in the US EPA ToxCast screening assay portfolio. To fill one critical screening gap, the Amplex UltraRed-thyroperoxidase (AUR-TPO) assay was developed to identify chemicals that inhibit TPO, as decreased TPO activity reduces TH synthesis. The ToxCast Phase I and II chemical libraries, comprised of 1,074 unique chemicals, were initially screened using a single, high concentration to identify potential TPO inhibitors. Chemicals positive in the single concentration screen were retested in concentration-response. Due to high false positive rates typically observed with loss-of-signal assays such as AUR-TPO, we also employed two additional assays in parallel to identify possible sources of nonspecific assay signal loss, enabling stratification of roughly 300 putative TPO inhibitors based upon selective AUR-TPO activity. A cell-free luciferase inhibition assay was used to identify nonspecific enzyme inhibition among the putative TPO inhibitors, and a cytotoxicity assay using a human cell line was used to estimate the cellular tolerance limit. Additionally, the TPO inhibition activities of 150 chemicals were compared between the AUR-TPO and an orthogonal peroxidase oxidation assay using

Dwarf Galaxies: Laboratories for Nucleosynthesis and Chemical Evolution

NASA Astrophysics Data System (ADS)

Kirby, Evan N.

2018-06-01

The dwarf galaxies in the Local Group are excellent laboratories for studying the creation of the elements (nucleosynthesis) and the build-up of those elements over time (chemical evolution). The galaxies' proximity permits spectroscopy of individual stars, from which detailed elemental abundances can be measured. Their small sizes and, in some cases, short star formation lifetimes imprinted chemical histories that are easy to interpret relative to larger, more complex galaxies, like the Milky Way.I will briefly review some techniques for measuring elemental abundances from medium-resolution spectroscopy of individual stars. I will show how the metallicity distributions of dwarf galaxies reflect their gas content at the time they were forming stars. Then, I will show how the ratio of alpha elements (for example, magnesium) to iron reveals the star formation history. Finally, I will use certain elements to tease out details of nucleosynthetic events. For example, low manganese and cobalt abundances indicate that the typical Type Ia supernova in dwarf galaxies was a low-density white dwarf, and the evolution of barium suggests that neutron star mergers were most likely responsible for the majority of neutron-capture elements in smaller dwarf galaxies.

Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps pamp.).

PubMed

Umano, K; Hagi, Y; Nakahara, K; Shoji, A; Shibamoto, T

2000-08-01

Extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.) were obtained using two methods: steam distillation under reduced pressure followed by dichloromethane extraction (DRP) and simultaneous purging and extraction (SPSE). A total of 192 volatile chemicals were identified in the extracts obtained by both methods using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). They included 47 monoterpenoids (oxygenated monoterpenes), 26 aromatic compounds, 19 aliphatic esters, 18 aliphatic alcohols, 17 monoterpenes (hydrocarbon monoterpenes), 17 sesquiterpenes (hydrocarbon sesquiterpenes), 13 sesquiterpenoids (oxygenated sesquiterpenes), 12 aliphatic aldehydes, 8 aliphatic hydrocarbons, 7 aliphatic ketones, and 9 miscellaneous compounds. The major volatile constituents of the extract by DRP were borneol (10.27 ppm), alpha-thujone (3.49 ppm), artemisia alcohol (2.17 ppm), verbenone (1.85 ppm), yomogi alcohol (1.50 ppm), and germacren-4-ol (1.43 ppm). The major volatile constituents of the extract by SPSE were 1,8-cineole (8.12 ppm), artemisia acetate (4.22 ppm), alpha-thujone (3.20 ppm), beta-caryophyllene (2.39 ppm), bornyl acetate (2.05 ppm), borneol (1.80 ppm), and trans-beta-farnesene (1. 78 ppm).

Multivariate analysis of elemental chemistry as a robust biosignature

NASA Astrophysics Data System (ADS)

Storrie-Lombardi, M.; Nealson, K.

2003-04-01

The robotic detection of life in extraterrestrial settings (i.e., Mars, Europa, etc.) would be greatly simplified if analysis could be accomplished in the absence of direct mechanical manipulation of a sample. It would also be preferable to employ a fundamental physico-chemical phenomenon as a biosignature and depend less on the particular manifestations of life on Earth (i.e. to employ non-earthcentric methods). One such approach, which we put forward here, is that of elemental composition, a reflection of the use of specific chemical elements for the construction of living systems. Using appropriate analyses (over the proper spatial scales), it should be possible to see deviations from the geological background (mineral and geochemical composition of the crust), and identify anomalies that would indicate sufficient deviation from the norm as to indicate a possible living system. To this end, over the past four decades elemental distributions have been determined for the sun, the interstellar medium, seawater, the crust of the Earth, carbonaceous chondrite meteorites, bacteria, plants, animals, and human beings. Such data can be relatively easily obtained for samples of a variety of types using a technique known as laser-induced breakdown spectroscopy (LIBS), which employs a high energy laser to ablate a portion of a sample, and then determine elemental composition using remote optical spectroscopy. However, the elements commonly associated with living systems (H, C, O, and N), while useful for detecting extant life, are relatively volatile and are not easily constrained across geological time scales. This minimizes their utility as fossil markers of ancient life. We have investigated the possibility of distinguishing the distributions of less volatile elements in a variety of biological materials from the distributions found in carbonaceous chondrites and the Earth’s crust using principal component analysis (PCA), a classical multivariate analysis technique

Trace elemental analysis of Indian natural moonstone gems by PIXE and XRD techniques.

PubMed

Venkateswara Rao, R; Venkateswarulu, P; Kasipathi, C; Sivajyothi, S

2013-12-01

A selected number of Indian Eastern Ghats natural moonstone gems were studied with a powerful nuclear analytical and non-destructive Proton Induced X-ray Emission (PIXE) technique. Thirteen elements, including V, Co, Ni, Zn, Ga, Ba and Pb, were identified in these moonstones and may be useful in interpreting the various geochemical conditions and the probable cause of their inceptions in the moonstone gemstone matrix. Furthermore, preliminary XRD studies of different moonstone patterns were performed. The PIXE technique is a powerful method for quickly determining the elemental concentration of a substance. A 3MeV proton beam was employed to excite the samples. The chemical constituents of moonstones from parts of the Eastern Ghats geological formations of Andhra Pradesh, India were determined, and gemological studies were performed on those gems. The crystal structure and the lattice parameters of the moonstones were estimated using X-Ray Diffraction studies, trace and minor elements were determined using the PIXE technique, and major compositional elements were confirmed by XRD. In the present work, the usefulness and versatility of the PIXE technique for research in geo-scientific methodology is established. © 2013 Elsevier Ltd. All rights reserved.

Using in Vitro High Throughput Screening Assays to Identify Potential Endocrine-Disrupting Chemicals

EPA Science Inventory

Over the past 20 years, an increased focus on detecting environmental chemicals posing a risk of adverse effects due to endocrine disruption has driven the creation of the U.S. EPA Endocrine Disruptor Screening Program (EDSP). Thousands of chemicals are subject to the EDSP, whic...

A chemical genetic strategy identify the PHOSTIN, a synthetic molecule that triggers phosphate starvation responses in Arabidopsis thaliana.

PubMed

Bonnot, Clémence; Pinson, Benoît; Clément, Mathilde; Bernillon, Stéphane; Chiarenza, Serge; Kanno, Satomi; Kobayashi, Natsuko; Delannoy, Etienne; Nakanishi, Tomoko M; Nussaume, Laurent; Desnos, Thierry

2016-01-01

Plants display numerous strategies to cope with phosphate (Pi)-deficiency. Despite multiple genetic studies, the molecular mechanisms of low-Pi-signalling remain unknown. To validate the interest of chemical genetics to investigate this pathway we discovered and analysed the effects of PHOSTIN (PSN), a drug mimicking Pi-starvation in Arabidopsis. We assessed the effects of PSN and structural analogues on the induction of Pi-deficiency responses in mutants and wild-type and followed their accumulation in plants organs by high pressure liquid chromotography (HPLC) or mass-spectrophotometry. We show that PSN is cleaved in the growth medium, releasing its active motif (PSN11), which accumulates in plants roots. Despite the overaccumulation of Pi in the roots of treated plants, PSN11 elicits both local and systemic Pi-starvation effects. Nevertheless, albeit that the transcriptional activation of low-Pi genes by PSN11 is lost in the phr1;phl1 double mutant, neither PHO1 nor PHO2 are required for PSN11 effects. The range of local and systemic responses to Pi-starvation elicited, and their dependence on the PHR1/PHL1 function suggests that PSN11 affects an important and early step of Pi-starvation signalling. Its independence from PHO1 and PHO2 suggest the existence of unknown pathway(s), showing the usefulness of PSN and chemical genetics to bring new elements to this field. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Emergy of the Global Biogeochemical Cycles of Biologically Active Elements