A summary of chemical and biological testing of proposed disposal of sediment from Richmond Harbor relative to the Deep Off-Shelf Reference Area, the Bay Farm Borrow Area, and the Alcatraz Environs Reference Area

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

Mayhew, H.L.; Karle, L.M.; Gruendell, B.D.

The US Army Corps of Engineers was authorized to dredge Richmond Harbor to accomodate large, deep-draft vessels. An ecological evaluation of the Harbor sediments was performed describing the physical characteristics, toxic substances, effects on aquatic organisms,and potential for bioaccumulation of chemical contaminants. The objective of this report is to compare the sediment chemistry, acute toxicity, and bioaccumulation results of the Richmond Harbor sediments to each of the reference areas; i.e., the Deep Off-Shelf Reference Area, the Bay Farm Borrow Area, and the Alcatraz Environs Reference Area. This report will enable the US Army Corps of Engineers to determine whether disposalmore » at a reference area is appropriate for all or part of the dredged material from Richmond Harbor. Chemical analyses were performed on 30 sediment samples; 28 of those samples were then combined to form 7 composites. The seven composites plus sediment from two additional stations received both chemical and biological evaluations.« less

DoD’s War on Hazardous Waste. Volume 3. Identifying Specifications That Require the Use of Hazardous Substances

DTIC Science & Technology

1991-07-01

of all DoD and Federal standardization documents on file, refer to one or more of the 132 hazardous materials. Based on our... the use of the material as an option. In addition , we found 200 documents (14 percent) that specifically prohibit the use of one or more of the ...hazardous materials. Listing of standardization documents referring to chemicals are provided. We recommend more sophisticated review approaches and the provision

Chemical gradients in sediment cores from an EPA reference site off the Farallon Islands - Assessing chemical indicators of dredged material disposal in the deep sea

USGS Publications Warehouse

Bothner, Michael H.; Gill, P.W.; Boothman, W.S.; Taylor, B.B.; Karl, Herman A.

1998-01-01

Heavy metal and organic contaminants have been determined in undisturbed sediment cores from the US Environmental Protection Agency reference site for dredged material on the continental slope off San Francisco. As expected, the concentrations are significantly lower than toxic effects guidelines, but concentrations of PCBs, PAHs, Hg, Pb, and Clostridium perfringens (a bacterium spore found in sewage) were nearly two or more times greater in the surface sediments than in intervals deeper in the cores. These observations indicate the usefulness of measuring concentration gradients in sediments at the San Francisco deep ocean disposal site (SF-DODS) where a thin (0.5 cm thick) layer of dredged material has been observed beyond the boundary. This thin layer has not been chemically characterized by the common practice of homogenizing over the top 10 cm. An estimated 300 million cubic yards of dredged material from San Francisco Bay are expected to be discharged at the SF-DODS site during the next 50 years. Detailed depth analysis of sediment cores would add significant new information about the fate and effects of dredged material in the deep sea.

Biological and chemical sensors based on graphene materials.

PubMed

Liu, Yuxin; Dong, Xiaochen; Chen, Peng

2012-03-21

Owing to their extraordinary electrical, chemical, optical, mechanical and structural properties, graphene and its derivatives have stimulated exploding interests in their sensor applications ever since the first isolation of free-standing graphene sheets in year 2004. This article critically and comprehensively reviews the emerging graphene-based electrochemical sensors, electronic sensors, optical sensors, and nanopore sensors for biological or chemical detection. We emphasize on the underlying detection (or signal transduction) mechanisms, the unique roles and advantages of the used graphene materials. Properties and preparations of different graphene materials, their functionalizations are also comparatively discussed in view of sensor development. Finally, the perspective and current challenges of graphene sensors are outlined (312 references).

Materials for Nonlinear Optics Chemical Perspectives

DTIC Science & Technology

1991-01-01

formation of these polarized states has been referred to in terms of " viru transitions". The polarization behavior can be written in terms of the...MATERIALS FOR NONUNEAR OPTICS: CHEMICAL PERSPECTIVES also be corona -poled. Either way, the films are ideally suited for guided wave applications. With...electrodes, or a corona charging station, similar to that used in electrophotographic copiers, can be used to apply charged particles to the insulating

Determination of glucosinolates in rapeseed and Thlaspi caerulescens plants by liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.

PubMed

Tolrà, R P; Alonso, R; Poschenrieder, C; Barceló, D; Barceló, J

2000-08-11

Liquid chromatography-atmospheric pressure chemical ionization mass spectrometry was used to identify glucosinolates in plant extracts. Optimization of the analytical conditions and the determination of the method detection limit was performed using commercial 2-propenylglucosinolate (sinigrin). Optimal values for the following parameters were determined: nebulization pressure, gas temperature, flux of drying gas, capillar voltage, corona current and fragmentor conditions. The method detection limit for sinigrin was 2.85 ng. For validation of the method the glucosinolates in reference material (rapeseed) from the Community Bureau of Reference Materials (BCR) were analyzed. The method was applied for the determination of glucosinolates in Thlaspi caerulescens plants.

Assessment of international reference materials for isotope-ratio analysis (IUPAC Technical Report)

USGS Publications Warehouse

Brand, Willi A.; Coplen, Tyler B.; Vogl, Jochen; Rosner, Martin; Prohaska, Thomas

2014-01-01

Since the early 1950s, the number of international measurement standards for anchoring stable isotope delta scales has mushroomed from 3 to more than 30, expanding to more than 25 chemical elements. With the development of new instrumentation, along with new and improved measurement procedures for studying naturally occurring isotopic abundance variations in natural and technical samples, the number of internationally distributed, secondary isotopic reference materials with a specified delta value has blossomed in the last six decades to more than 150 materials. More than half of these isotopic reference materials were produced for isotope-delta measurements of seven elements: H, Li, B, C, N, O, and S. The number of isotopic reference materials for other, heavier elements has grown considerably over the last decade. Nevertheless, even primary international measurement standards for isotope-delta measurements are still needed for some elements, including Mg, Fe, Te, Sb, Mo, and Ge. It is recommended that authors publish the delta values of internationally distributed, secondary isotopic reference materials that were used for anchoring their measurement results to the respective primary stable isotope scale.

New Ca-Tims and La-Icp Analyses of GJ-1, Plesovice, and FC1 Reference Materials

NASA Astrophysics Data System (ADS)

Feldman, J. D.; Möller, A.; Walker, J. D.

2014-12-01

Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) U-Pb zircon geochronology relies on external reference standards to monitor and correct for different mass fractionation effects and instrument drift. Common zircon reference materials used within the community, including the KU Isotope Geochemistry Laboratory, are GJ-1 (207Pb/206Pb age: 608.53 +/- 0.37Ma; Jackson et al., 2004), Plesovice (337.13 +/- 0.37 Ma; Slama et al., 2008), and FC-1 (1099.0 +/-0.6 Ma; Paces and Miller, 1993). The age distribution of zircon reference material varies slightly from sample fraction to sample fraction, and the published results for GJ-1 are slightly discordant. As a result, using the published data for the distributed standard splits can lead to small systematic variations when comparing datasets from different labs, and more high precision data are needed to evaluate potential inhomogeneity of sample splits used in different laboratories. Here we characterize these reference materials with cathodoluminescence, LA-ICP-MS traverses across grains, and high precision CA-TIMS to better constrain the ages and assess zoning of these standards, and present the data for comparison with other laboratories. Reducing systematic error by dating our own reference material lends confidence to our analyses and allows for inter-laboratory age reproducibility of unknowns. Additionally, the reduction in propagated uncertainties (especially in GJ-1, for which both the red and yellow variety will be analyzed) will be used to improve long-term reproducibility, comparisons between samples of similar age, detrital populations and composite pluton zircons. Jackson, S.E., et al., 2004, Chemical Geology, v. 211, p. 47-69. Paces, J.B. & Miller, J.D., 1993, Journal of Geophysical Research, v. 80, p. 13997-14013. Slama, J., et al., 2008, Chemical Geology, v. 249. p. 1-35.

Expanding Rational Molecular Design beyond Pharma: Metrics to Guide Safer Chemical Design

EPA Science Inventory

The demand for safer, healthier and sustainable products, materials and processes has been increasing over the past several years. Differentiating which chemicals are relatively less hazardous than others, often referred to as “greener” or “sustainable, demands a comprehensive, h...

Expanding Rational Molecular Design beyond Pharma: Metrics toGuide Safer Chemical Design

EPA Science Inventory

The demand for safer, healthier and sustainable products, materials and processes has been increasing over the past several years. Differentiating which chemicals are relatively less hazardous than others, often referred to as “greener” or “sustainable, demands a comprehensive, h...

Hazardous materials information hotline using System 2000

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

Brower, J.E.; Fuchel, K.

1984-04-30

The Center for Assessment of Chemical and Physical Hazards (CACPH) at Brookhaven National Laboratory (BNL) has developed a computer hotline service for the Department of Energy (DOE) and its contractors. This service provides access to health and safety information for over 800 chemicals and hazardous materials. The data base uses System 2000 on a CDC 6600 and provides information on the chemical name and its synonyms, 17 categories of health and safety information, composition of chemical mixtures, categories of chemicals, use and hazards, and physical, chemical and toxicity attributes. In order to make this information available to people unfamiliar withmore » System 2000, a user-friendly interface was developed using a Fortran PLEX Program. 1 reference, 1 figure.« less

Extract-filter-shoot liquid chromatography with mass spectrometry for the analysis of vitamin D2 in a powdered supplement capsule and standard reference material 3280.

PubMed

Byrdwell, William Craig

2014-08-01

An "extract-filter-shoot" method for the analysis of vitamin D2, ergocalciferol, in a dry powdered dietary supplement capsule containing rice flour excipient and in a National Institute of Standards and Technology standard reference material 3280 is reported. Quantification of vitamin D2 was done by atmospheric pressure chemical ionization mass spectrometry using selected ion monitoring, two transitions of selected reaction monitoring, and extracted ion chromatograms from full scans. UV detection was used for the quantification of Vitamin D2 in the dry powder capsule, whereas interfering species rendered UV detection unreliable for standard reference material 3280. Average values for standard reference material 3280 ranged from 8.27 ± 0.58 to 8.33 ± 0.57 μg/g using internal standard calibration and response factor approaches, compared to the previous National Institute of Standards and Technology internal value for vitamin D2 of 8.78 ± 0.11 μg/g, and the recently updated reference value of 8.6 ± 2.6 μg/g. The powdered supplement capsule was found to contain 28.19 ± 0.35 to 28.67 ± 0.90 μg/capsule for a capsule labeled to contain 25.00 μg. The triacylglycerol composition of the rice flour excipient in the powdered supplement capsule determined by atmospheric pressure chemical ionization mass spectrometry is also reported. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Production of highly-enriched 134Ba for a reference material for isotope dilution mass spectrometry measurements

DOE PAGES

Horkley, J. J.; Carney, K. P.; Gantz, E. M.; ...

2015-03-17

Isotope dilution mass spectrometry (IDMS) is an analytical technique capable of providing accurate and precise quantitation of trace isotope abundance and assay providing measurement uncertainties below 1 %. To achieve these low uncertainties, the IDMS method ideally utilizes chemically pure “spike” solutions that consist of a single highly enriched isotope that is well-characterized relating to the abundance of companion isotopes and concentration in solution. To address a current demand for accurate 137Cs/137Ba ratio measurements for “age” determination of radioactive 137Cs sources, Idaho National Laboratory (INL) is producing enriched 134Ba isotopes that are tobe used for IDMS spikes to accurately determinemore » 137Ba accumulation from the decay of 137Cs. The final objective of this work it to provide a homogenous set of reference materials that the National Institute of Standards and Technology can certify as standard reference materials used for IDMS. The process that was developed at INL for the separation and isolation of Ba isotopes, chemical purification of the isotopes in solution, and the encapsulation of the materials will be described.« less

Certification of reference materials for the determination of alkylphenols.

PubMed

Hanari, Nobuyasu; Ishikawa, Keiichiro; Shimizu, Yoshitaka; Otsuka, Satoko; Iwasawa, Ryoko; Fujiki, Naomi; Numata, Masahiko; Yarita, Takashi; Kato, Kenji

2015-04-01

Certified reference materials (CRMs) are playing an increasingly important role in national and international standardizing activities. In Japan, primary standard solutions for analyses of endocrine disrupters are supplied under the national standards dissemination system named the Japan Calibration Service System (JCSS). For the traceability on reference materials used for preparation of the primary standard solutions based on the JCSS, the National Metrology Institute of Japan, National Institute of Advanced Industrial Science and Technology (NMIJ/AIST) has developed and certified high-purity reference materials of alkylphenols as NMIJ CRMs, such as 4-n-nonylphenol, 4-tert-octylphenol, 4-n-heptylphenol, 4-tert-butylphenol, and 2,4-dichlorophenol. Thereafter, it is essential to determine the alkylphenols by using these solutions based on the JCSS for environmental monitoring and risk assessments because analytical values obtained by using the solutions can ensure the reliability and traceability of the chemical analyses.

IRIS Assessment Plan for Uranium (Scoping and Problem Formulation Materials)

EPA Science Inventory

In January 2018, EPA released the IRIS Assessment Plan for Uranium (Oral Reference Dose) (Scoping and Problem Formulation Materials). An IRIS Assessment Plan (IAP) communicates to the public the plan for assessing each individual chemical and includes summary informatio...

The Geochemical Databases GEOROC and GeoReM - What's New?

NASA Astrophysics Data System (ADS)

Sarbas, B.; Jochum, K. P.; Nohl, U.; Weis, U.

2017-12-01

The geochemical databases GEOROC (http: georoc.mpch-mainz.gwdg.de) and GeoReM (http: georem.mpch-mainz.gwdg.de) are maintained by the Max Planck Institute for Chemistry in Mainz, Germany. Both online databases became crucial tools for geoscientists from different research areas. They are regularly upgraded by new tools and new data from recent publications obtained from a wide range of international journals. GEOROC is a collection of published analyses of volcanic rocks and mantle xenoliths. Since recently, data for plutonic rocks are added. The analyses include major and trace element concentrations, radiogenic and non-radiogenic isotope ratios as well as analytical ages for whole rocks, glasses, minerals and inclusions. Samples come from eleven geological settings and span the whole geological age scale from Archean to Recent. Metadata include, among others, geographic location, rock class and rock type, geological age, degree of alteration, analytical method, laboratory, and reference. The GEOROC web page allows selection of samples by geological setting, geography, chemical criteria, rock or sample name, and bibliographic criteria. In addition, it provides a large number of precompiled files for individual locations, minerals and rock classes. GeoReM is a database collecting information about reference materials of geological and environmental interest, such as rock powders, synthetic and natural glasses as well as mineral, isotopic, biological, river water and seawater reference materials. It contains published data and compilation values (major and trace element concentrations and mass fractions, radiogenic and stable isotope ratios). Metadata comprise, among others, uncertainty, analytical method and laboratory. Reference materials are important for calibration, method validation, quality control and to establish metrological traceability. GeoReM offers six different search strategies: samples or materials (published values), samples (GeoReM preferred values), chemical criteria, chemical criteria based on bibliography, bibliography, as well as methods and institutions.

Characterizing a Full Spectrum of Physico-Chemical Properties of Ginsenosides Rb1 and Rg1 to Be Proposed as Standard Reference Materials

PubMed Central

Kim, Il-Woung; Hong, Hee-Do; Choi, Sang Yoon; Hwang, Da-Hye; Her, Youl; Kim, Si-Kwan

2011-01-01

Good manufacturing practice (GMP)-based quality control is an integral component of the common technical document, a formal documentation process for applying a marketing authorization holder to those countries where ginseng is classified as a medicine. In addition, authentication of the physico-chemical properties of ginsenoside reference materials, and qualitative and quantitative batch analytical data based on validated analytical procedures are prerequisites for certifying GMP. Therefore, the aim of this study was to propose an authentication process for isolated ginsenosides Rb1 and Rg1 as reference materials (RM) and for these compounds to be designated as RMs for ginseng preparations throughout the world. Ginsenoside Rb1 and Rg1 were isolated by Diaion HP-20 adsorption chromatography, silica gel flash chromatography, recrystallization, and preparative HPLC. HPLC fractions corresponding to those two ginsenosides were recrystallized in appropriate solvents for the analysis of physico-chemical properties. Documentation of the isolated ginsenosides was made according to the method proposed by Gaedcke and Steinhoff. The ginsenosides were subjected to analyses of their general characteristics, identification, purity, content quantitation, and mass balance tests. The isolated ginsenosides were proven to be a single compound when analyzed by three different HPLC systems. Also, the water content was found to be 0.940% for Rb1 and 0.485% for Rg1, meaning that the net mass balance for ginsenoside Rb1 and Rg1 were 99.060% and 99.515%, respectively. From these results, we could assess and propose a full spectrum of physicochemical properties for the ginsenosides Rb1 and Rg1 as standard reference materials for GMP-based quality control. PMID:23717096

Laser Eye Protection Groupware Application Information System

DTIC Science & Technology

1998-11-01

Q^ Concenlralion ^ Data & Program Res ■>i Excfted Stele Cross-Section ’^> EKtrnction Coefficient ^s Ground Stale Cross-Section ?> Reference...2nd Level (2nd column) 4 Chemical Compound Bio material name 3nd Level (3rd column) 4th Level (4th column) Figure 14A. Reference Date View

IRIS Assessment Plan for Uranium (Scoping and Problem Formulation Materials)

EPA Science Inventory

In January 2018, EPA released the IRIS Assessment Plan for Uranium (Oral Reference Dose) (Scoping and Problem Formulation Materials). An IRIS Assessment Plan , or IAP communicates to the public the plan for assessing each individual chemical and includes summary informat...

Chemical modeling of boron adsorption by humic materials using the constant capacitance model

USDA-ARS?s Scientific Manuscript database

The constant capacitance surface complexation model was used to describe B adsorption behavior on reference Aldrich humic acid, humic acids from various soil environments, and dissolved organic matter extracted from sewage effluents. The reactive surface functional groups on the humic materials wer...

Certification of caffeine reference material purity by ultraviolet/visible spectrophotometry and high-performance liquid chromatography with diode-array detection as two independent analytical methods.

PubMed

Shehata, A B; Rizk, M S; Rend, E A

2016-10-01

Caffeine reference material certified for purity is produced worldwide, but no research work on the details of the certification process has been published in the literature. In this paper, we report the scientific details of the preparation and certification of pure caffeine reference materials. Caffeine was prepared by extraction from roasted and ground coffee by dichloromethane after heating in deionized water mixed with magnesium oxide. The extract was purified, dried, and bottled in dark glass vials. Stratified random selection was applied to select a number of vials for homogeneity and stability studies, which revealed that the prepared reference material is homogeneous and sufficiently stable. Quantification of caffeine purity % was carried out using a calibrated UV/visible spectrophotometer and a calibrated high-performance liquid chromatography with diode-array detection method. The results obtained from both methods were combined to drive the certified value and its associated uncertainty. The certified value of the reference material purity was found to be 99.86% and its associated uncertainty was ±0.65%, which makes the candidate reference material a very useful calibrant in food and drug chemical analysis. Copyright © 2016. Published by Elsevier B.V.

Characterization of fulvic acid fractions of dissolved organic matter during ice-out in a hyper-eutrophic, coastal pond in Antarctica

NASA Astrophysics Data System (ADS)

Cawley, Kaelin M.; McKnight, Diane M.; Miller, Penney; Cory, Rose; Fimmen, Ryan L.; Guerard, Jennifer; Dieser, Markus; Jaros, Christopher; Chin, Yu-Ping; Foreman, Christine

2013-12-01

Dissolved humic material (HDOM) is ubiquitous to all natural waters and its source material influences its chemical structure, reactivity, and bioavailability. While terrestrially derived HDOM reference materials distributed by the International Humic Substances Society (IHSS) have been readily available to engineering and scientific communities, a microbially derived reference HDOM was not, despite the well-characterized differences in the chemistry and reactivity of HDOM derived from terrestrial versus microbial sources. To address this gap, we collected a microbial reference fulvic acid from Pony Lake (PLFA) for distribution through the IHSS. Pony Lake is a saline coastal pond on Ross Island, Antarctica, where the landscape is devoid of terrestrial plants. Sample collection occurred over a 17-day period in the summer season at Pony Lake. During this time, the dissolved organic carbon (DOC) concentrations increased nearly two-fold, and the fulvic acid fraction (collected using the XAD-8 method) accounted for 14.6% of the DOC. During the re-concentration and desalting procedures we isolated two other chemically distinct fulvic acid fractions: (1) PLFA-2, which was high in carbohydrates and (2) PLFA-CER, which was high in nitrogen. The chemical characteristics (elemental analysis, optical characterization with UV-vis and fluorescence spectroscopy, and 13C NMR spectroscopy) of the three fulvic acid fractions helped to explain their behavior during isolation.

Characterization of physio-chemical properties of polymeric and electrochemical materials for aerospace flight

NASA Technical Reports Server (NTRS)

Rock, M.; Kunigahalli, V.; Khan, S.; Mcnair, A.

1984-01-01

Sealed nickel cadmium cells having undergone a large number of cycles were discharged using the Hg/HgO reference electrode. The negative electrode exhibited the second plateau. SEM of negative plates of such cells show clusters of large crystals of cadmium hydroxide. These large crystals on the negative plates disappear after continuous overcharging in flooded cells. Atomic Absorption Spectroscopy and standard wet chemical methods are being used to determine the cell materials viz: nickel, cadmium, cobalt, potassum and carbonate. The anodes and cathodes are analyzed after careful examination and the condition of the separator material is evaluated.

GROUND WATER ISSUE: NONAQUEOUS PHASE LIQUIDS COMPATIBILITY WITH MATERIALS USED IN WELL CONSTRUCTION, SAMPLING, AND REMEDIATION.

EPA Science Inventory

This issue paper provides a comprehensive literature review regarding the compatibility of NAPLs with a wide variety of materials used at hazardous waste sites. A condensed reference table of compatibility data for 207 chemicals and 28 commonly used well construction and sampling...

Short Term Innovative Research Program: Nanoengineered Reactive Materials for Tunable Ignition and Energy Release

DTIC Science & Technology

2009-01-01

Background Most conventional explosives can be roughly categorized into two classes – molecular materials and intermolecular composites. Molecular...materials refer to species such as the nitroalkanes (e.g. nitromethane ) and cyclic nitramines (e.g. TNAZ, RDX, HMX) that release chemical energy...alternative to conventional explosives that has been gaining increasing interest have been termed reactive materials, and are defined as systems in

Industrial applications of metal-organic frameworks.

PubMed

Czaja, Alexander U; Trukhan, Natalia; Müller, Ulrich

2009-05-01

New materials are prerequisite for major breakthrough applications influencing our daily life, and therefore are pivotal for the chemical industry. Metal-organic frameworks (MOFs) constitute an emerging class of materials useful in gas storage, gas purification and separation applications as well as heterogeneous catalysis. They not only offer higher surface areas and the potential for enhanced activity than currently used materials like base metal oxides, but also provide shape/size selectivity which is important both for separations and catalysis. In this critical review an overview of the potential applications of MOFs in the chemical industry is presented. Furthermore, the synthesis and characterization of the materials are briefly discussed from the industrial perspective (88 references).

Multivariate approaches for stability control of the olive oil reference materials for sensory analysis - part I: framework and fundamentals.

PubMed

Valverde-Som, Lucia; Ruiz-Samblás, Cristina; Rodríguez-García, Francisco P; Cuadros-Rodríguez, Luis

2018-02-09

Virgin olive oil is the only food product for which sensory analysis is regulated to classify it in different quality categories. To harmonize the results of the sensorial method, the use of standards or reference materials is crucial. The stability of sensory reference materials is required to enable their suitable control, aiming to confirm that their specific target values are maintained on an ongoing basis. Currently, such stability is monitored by means of sensory analysis and the sensory panels are in the paradoxical situation of controlling the standards that are devoted to controlling the panels. In the present study, several approaches based on similarity analysis are exploited. For each approach, the specific methodology to build a proper multivariate control chart to monitor the stability of the sensory properties is explained and discussed. The normalized Euclidean and Mahalanobis distances, the so-called nearness and hardiness indices respectively, have been defined as new similarity indices to range the values from 0 to 1. Also, the squared mean from Hotelling's T 2 -statistic and Q 2 -statistic has been proposed as another similarity index. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Multivariate approaches for stability control of the olive oil reference materials for sensory analysis - part II: applications.

PubMed

Valverde-Som, Lucia; Ruiz-Samblás, Cristina; Rodríguez-García, Francisco P; Cuadros-Rodríguez, Luis

2018-02-09

The organoleptic quality of virgin olive oil depends on positive and negative sensory attributes. These attributes are related to volatile organic compounds and phenolic compounds that represent the aroma and taste (flavour) of the virgin olive oil. The flavour is the characteristic that can be measured by a taster panel. However, as for any analytical measuring device, the tasters, individually, and the panel, as a whole, should be harmonized and validated and proper olive oil standards are needed. In the present study, multivariate approaches are put into practice in addition to the rules to build a multivariate control chart from chromatographic volatile fingerprinting and chemometrics. Fingerprinting techniques provide analytical information without identify and quantify the analytes. This methodology is used to monitor the stability of sensory reference materials. The similarity indices have been calculated to build multivariate control chart with two olive oils certified reference materials that have been used as examples to monitor their stabilities. This methodology with chromatographic data could be applied in parallel with the 'panel test' sensory method to reduce the work of sensory analysis. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

delta 15N and non-carbonate delta 13C values for two petroleum source rock reference materials and a marine sediment reference material

USGS Publications Warehouse

Dennen, Kristin O.; Johnson, Craig A.; Otter, Marshall L.; Silva, Steven R.; Wandless, Gregory A.

2006-01-01

Samples of United States Geological Survey (USGS) Certified Reference Materials USGS Devonian Ohio Shale (SDO-1), and USGS Eocene Green River Shale (SGR-1), and National Research Council Canada (NRCC) Certified Marine Sediment Reference Material (PACS-2), were sent for analysis to four separate analytical laboratories as blind controls for organic rich sedimentary rock samples being analyzed from the Red Dog mine area in Alaska. The samples were analyzed for stable isotopes of carbon (delta13Cncc) and nitrogen (delta15N), percent non-carbonate carbon (Wt % Cncc) and percent nitrogen (Wt % N). SDO-1, collected from the Huron Member of the Ohio Shale, near Morehead, Kentucky, and SGR-1, collected from the Mahogany zone of the Green River Formation are petroleum source rocks used as reference materials for chemical analyses of sedimentary rocks. PACS-2 is modern marine sediment collected from the Esquimalt, British Columbia harbor. The results presented in this study are, with the exceptions noted below, the first published for these reference materials. There are published information values for the elemental concentrations of 'organic' carbon (Wt % Corg measured range is 8.98 - 10.4) and nitrogen (Wt % Ntot 0.347 with SD 0.043) only for SDO-1. The suggested values presented here should be considered 'information values' as defined by the NRCC Institute for National Measurement Reference Materials and should be useful for the analysis of 13C, 15N, C and N in organic material in sedimentary rocks.

The development and certification of Standard Reference Materials (SRMs) to assess and ensure accurate measurement of Pb in the environment.

PubMed

Fassett, J D; MacDonald, B S

2001-08-01

The National Institute of Standards and Technology (NIST) has had a major quality-assurance role in the federal effort to reduce lead poisoning of children in the United States through its mission of ensuring the accuracy of chemical measurements. NIST certifies reference materials (standard reference materials--SRMs) that are used to benchmark measurements by secondary and field methods of analysis--to ensure that decisions of great health and economic impact are soundly based on good measurement science. Over the past 10 years, in cooperation with the US Environmental Protection Agency (EPA), US Department of Housing and Urban Development (HUD), and the United States Geological Survey (USGS), NIST has prepared and certified SRMs for lead content in soil, indoor dust, and paint. The role of these materials in meeting regulatory and abatement needs is described and their certified values are summarized.

Protective clothing for pesticide operators: part I--selection of a reference test chemical for penetration testing.

PubMed

Shaw, Anugrah; Schiffelbein, Paul

2016-01-01

A systematic approach was taken to develop a database for protective clothing for pesticide operators; results are reported as a two-part series. Part I describes the research studies that led to identification of a pesticide formulation that could serve as a reference test chemical for further testing. Measurement of pesticide penetration was conducted using different types of pesticide formulations. Six fabrics were tested using 10 formulations at different concentrations. Three formulations were subsequently selected for further testing. Analysis of the data indicated that, when compared with other formulations, mean percent penetration of 5% Prowl 3.3 EC [emulsifiable concentrate diluted to 5% active ingredient (pendimethalin)] is either similar to or higher than most test chemicals. Those results led to choosing 5% Prowl 3.3 EC as a reference test liquid. Part II of the study, published as a separate paper, includes data on a wide range of textile materials.

Comparing results of X-ray diffraction, µ-Raman spectroscopy and neutron diffraction when identifying chemical phases in seized nuclear material, during a comparative nuclear forensics exercise.

PubMed

Rondahl, Stina Holmgren; Pointurier, Fabien; Ahlinder, Linnea; Ramebäck, Henrik; Marie, Olivier; Ravat, Brice; Delaunay, François; Young, Emma; Blagojevic, Ned; Hester, James R; Thorogood, Gordon; Nelwamondo, Aubrey N; Ntsoane, Tshepo P; Roberts, Sarah K; Holliday, Kiel S

2018-01-01

This work presents the results for identification of chemical phases obtained by several laboratories as a part of an international nuclear forensic round-robin exercise. In this work powder X-ray diffraction (p-XRD) is regarded as the reference technique. Neutron diffraction produced a superior high-angle diffraction pattern relative to p-XRD. Requiring only small amounts of sample, µ-Raman spectroscopy was used for the first time in this context as a potentially complementary technique to p-XRD. The chemical phases were identified as pure UO 2 in two materials, and as a mixture of UO 2 , U 3 O 8 and an intermediate species U 3 O 7 in the third material.

Thermal and Chemical Characterization of Non-Metallic Materials Using Coupled Thermogravimetric Analysis and Infrared Spectroscopy

NASA Technical Reports Server (NTRS)

Huff, Timothy L.

2002-01-01

Thermogravimetric analysis (TGA) is widely employed in the thermal characterization of non-metallic materials, yielding valuable information on decomposition characteristics of a sample over a wide temperature range. However, a potential wealth of chemical information is lost during the process, with the evolving gases generated during thermal decomposition escaping through the exhaust line. Fourier Transform-Infrared spectroscopy (FT-IR) is a powerful analytical technique for determining many chemical constituents while in any material state, in this application, the gas phase. By linking these two techniques, evolving gases generated during the TGA process are directed into an appropriately equipped infrared spectrometer for chemical speciation. Consequently, both thermal decomposition and chemical characterization of a material may be obtained in a single sample run. In practice, a heated transfer line is employed to connect the two instruments while a purge gas stream directs the evolving gases into the FT-IR. The purge gas can be either high purity air or an inert gas such as nitrogen to allow oxidative and pyrolytic processes to be examined, respectively. The FT-IR data is collected realtime, allowing continuous monitoring of chemical compositional changes over the course of thermal decomposition. Using this coupled technique, an array of diverse materials has been examined, including composites, plastics, rubber, fiberglass epoxy resins, polycarbonates, silicones, lubricants and fluorocarbon materials. The benefit of combining these two methodologies is of particular importance in the aerospace community, where newly developing materials have little available data with which to refer. By providing both thermal and chemical data simultaneously, a more definitive and comprehensive characterization of the material is possible. Additionally, this procedure has been found to be a viable screening technique for certain materials, with the generated data useful in the selection of other appropriate analytical procedures for further material characterization.

Diffusion-controlled reference material for VOC emissions testing: proof of concept.

PubMed

Cox, S S; Liu, Z; Little, J C; Howard-Reed, C; Nabinger, S J; Persily, A

2010-10-01

Because of concerns about indoor air quality, there is growing awareness of the need to reduce the rate at which indoor materials and products emit volatile organic compounds (VOCs). To meet consumer demand for low emitting products, manufacturers are increasingly submitting materials to independent laboratories for emissions testing. However, the same product tested by different laboratories can result in very different emissions profiles because of a general lack of test validation procedures. There is a need for a reference material that can be used as a known emissions source and that will have the same emission rate when tested by different laboratories under the same conditions. A reference material was created by loading toluene into a polymethyl pentene film. A fundamental emissions model was used to predict the toluene emissions profile. Measured VOC emissions profiles using small-chamber emissions tests compared reasonably well to the emissions profile predicted using the emissions model, demonstrating the feasibility of the proposed approach to create a diffusion-controlled reference material. To calibrate emissions test chambers and improve the reproducibility of VOC emission measurements among different laboratories, a reference material has been created using a polymer film loaded with a representative VOC. Initial results show that the film's VOC emission profile measured in a conventional test chamber compares well to predictions based on independently determined material/chemical properties and a fundamental emissions model. The use of such reference materials has the potential to build consensus and confidence in emissions testing as well as 'level the playing field' for product testing laboratories and manufacturers.

Natural plant chemicals: source of industrial and medicinal materials

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

Balandrin, M.F.; Klocke, J.A.; Wurtele, E.S.

1985-01-01

Many higher plants produce economically important organic compounds such as oils, resins, tannins, natural rubber, gums, waxes, dyes, flavors and fragrances, pharmaceuticals, and pesticides. However, most species of higher plants have never been described, much less surveyed for chemical or biologically active constituents, and new sources of commercially valuable materials remain to be discovered. Advances in biotechnology, particularly methods for culturing plants cells and tissues, should provide new means for the commercial processing of even rare plants and the chemicals they produce. These new technologies will extend and enhance the usefulness of plants as renewable resources of valuable chemicals. Inmore » the future, biologically active plant-derived chemicals can be expected to play an increasingly significant role in the commercial development of new products for regulating plant growth and for insect and weed control. 65 references.« less

The NIH analytical methods and reference materials program for dietary supplements.

PubMed

Betz, Joseph M; Fisher, Kenneth D; Saldanha, Leila G; Coates, Paul M

2007-09-01

Quality of botanical products is a great uncertainty that consumers, clinicians, regulators, and researchers face. Definitions of quality abound, and include specifications for sanitation, adventitious agents (pesticides, metals, weeds), and content of natural chemicals. Because dietary supplements (DS) are often complex mixtures, they pose analytical challenges and method validation may be difficult. In response to product quality concerns and the need for validated and publicly available methods for DS analysis, the US Congress directed the Office of Dietary Supplements (ODS) at the National Institutes of Health (NIH) to accelerate an ongoing methods validation process, and the Dietary Supplements Methods and Reference Materials Program was created. The program was constructed from stakeholder input and incorporates several federal procurement and granting mechanisms in a coordinated and interlocking framework. The framework facilitates validation of analytical methods, analytical standards, and reference materials.

Harmonised framework for ecological risk assessment of sediments from ports and estuarine zones of North and South Atlantic.

PubMed

Choueri, R B; Cesar, A; Abessa, D M S; Torres, R J; Riba, I; Pereira, C D S; Nascimento, M R L; Morais, R D; Mozeto, A A; DelValls, T A

2010-04-01

This paper presents a harmonised framework of sediment quality assessment and dredging material characterisation for estuaries and port zones of North and South Atlantic. This framework, based on the weight-of-evidence approach, provides a structure and a process for conducting sediment/dredging material assessment that leads to a decision. The main structure consists of "step 1" (examination of available data); "step 2" (chemical characterisation and toxicity assessment); "decision 1" (any chemical level higher than reference values? are sediments toxic?); "step 3" (assessment of benthic community structure); "step 4" (integration of the results); "decision 2" (are sediments toxic or benthic community impaired?); "step 5" (construction of the decision matrix) and "decision 3" (is there environmental risk?). The sequence of assessments may be interrupted when the information obtained is judged to be sufficient for a correct characterisation of the risk posed by the sediments/dredging material. This framework brought novel features compared to other sediment/dredging material risk assessment frameworks: data integration through multivariate analysis allows the identification of which samples are toxic and/or related to impaired benthic communities; it also discriminates the chemicals responsible for negative biological effects; and the framework dispenses the use of a reference area. We demonstrated the successful application of this framework in different port and estuarine zones of the North (Gulf of Cádiz) and South Atlantic (Santos and Paranaguá Estuarine Systems).

Trace Organic Analysis of Microencapsulated Materials

DTIC Science & Technology

1989-11-01

chromatography Box-Behnken experimental design Microencapsulated pesticides Sur factants Emulsifiers Polymer shell/walls Microcapsule cores Fiber optic... microencapsulation field is given in Bibliography 10.1, (page 38), including references in microemulsions, microcapsules , polymeric/liposome delivery...CHEMICAL RESEARCH, r-i DEVELOPMENT . ENGINEERING CRDEC-CR-0S8-O CENTER (GC-TR-89-172-001 00 CD TRACE ORGANIC ANALYSIS OF MICROENCAPSULATED MATERIALS

Comparing results of X-ray diffraction, µ-Raman spectroscopy and neutron diffraction when identifying chemical phases in seized nuclear material, during a comparative nuclear forensics exercise

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

Rondahl, Stina Holmgren; Pointurier, Fabien; Ahlinder, Linnea

This work presents the results for identification of chemical phases obtained by several laboratories as a part of an international nuclear forensic round-robin exercise. In this work powder X-ray diffraction (p-XRD) is regarded as the reference technique. Neutron diffraction produced a superior high-angle diffraction pattern relative to p-XRD. Requiring only small amounts of sample, µ-Raman spectroscopy was used for the first time in this context as a potentially complementary technique to p-XRD. The chemical phases were identified as pure UO 2 in two materials, and as a mixture of UO 2, U 3O 8 and an intermediate species U 3Omore » 7 in the third material.« less

Comparing results of X-ray diffraction, µ-Raman spectroscopy and neutron diffraction when identifying chemical phases in seized nuclear material, during a comparative nuclear forensics exercise

DOE PAGES

Rondahl, Stina Holmgren; Pointurier, Fabien; Ahlinder, Linnea; ...

2018-01-24

This work presents the results for identification of chemical phases obtained by several laboratories as a part of an international nuclear forensic round-robin exercise. In this work powder X-ray diffraction (p-XRD) is regarded as the reference technique. Neutron diffraction produced a superior high-angle diffraction pattern relative to p-XRD. Requiring only small amounts of sample, µ-Raman spectroscopy was used for the first time in this context as a potentially complementary technique to p-XRD. The chemical phases were identified as pure UO 2 in two materials, and as a mixture of UO 2, U 3O 8 and an intermediate species U 3Omore » 7 in the third material.« less

Development of new reference material neohesperidin for quality control of dietary supplements.

PubMed

Gong, Ningbo; Zhang, Baoxi; Yang, Dezhi; Gao, Zhaolin; Du, Guanhua; Lu, Yang

2015-07-01

Neohesperidin is an important natural flavanone glycoside distributed in several citrus species. This compound is widely used as a raw material for food additives in the food industry. The request for certified reference materials (CRMs) in dietary supplements was stipulated by the National Administrative Committee for CRMs and was underpinned by the need to improve the accuracy and comparability of measurement data and to establish metrological traceability of analytical results. This paper reports the sample preparation methodology, homogeneity and stability studies, value assignment and uncertainty estimation of a new certified reference material of neohesperidin (GBW09522). Differential scanning calorimetry, coulometric titration and mass balance methods proved to be sufficiently reliable and accurate for certification purposes. The certified value of neohesperidin CRM is 994 g kg(-1) with an expanded uncertainty of 4 g kg(-1) (k = 2). The reference material described above was homogeneous and stable for 12 months at a storage temperature of 25 °C. The new CRM of neohesperidin can be used to validate analytical methods and improve the accuracy of measurement data as well as quality control of neohesperidin-related dietary supplements, foods, traditional herbs and pharmaceutical formulations. © 2014 Society of Chemical Industry.

Chemical analysis and biological testing of materials from the EDS coal liquefaction process: a status report

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

Later, D.W.; Pelroy, R.A.; Wilson, B.W.

1984-05-01

Representative process materials were obtained from the EDS pilot plant for chemical and biological analyses. These materials were characterized for biological activity and chemical composition using a microbial mutagenicity assay and chromatographic and mass spectrometric analytical techniques. The two highest boiling distillation cuts, as well as process solvent (PS) obtained from the bottoms recycle mode operation, were tested for initiation of mouse skin tumorigenicity. All three materials were active; the crude 800/sup 0 +/F cut was substantially more potent than the crude bottoms recycle PS or 750 to 800/sup 0/F distillate cut. Results from chemical analyses showed the EDS materials,more » in general, to be more highly alkylated and have higher hydroaromatic content than analogous SRC II process materials (no in-line process hydrogenation) used for comparison. In the microbial mutagenicity assays the N-PAC fractions showed greater activity than did the aliphatic hydrocarbon, hydroxy-PAH, or PAH fractions, although mutagenicity was detected in certain PAH fractions by a modified version of the standard microbial mutagenicity assay. Mutagenic activities for the EDS materials were lower, overall, than those for the corresponding materials from the SRC II process. The EDS materials produced under different operational modes had distinguishable differences in both their chemical constituency and biological activity. The primary differences between the EDS materials studied here and their SRC II counterparts used for comparison are most likely attributable to the incorporation of catalytic hydrogenation in the EDS process. 27 references, 28 figures, 27 tables.« less

Synthetic Reference Materials Based on Polymer Films for the Control of Welding Fumes Composition

NASA Astrophysics Data System (ADS)

Kuznetsova, O. V.; Kuznetsova, A. N.; Begunova, L. A.

2017-04-01

Analysis of the current hygienic situation in the welding production showed that the intensification of welding processes involves the deterioration of air quality, which negatively affects the welders health. Welders are exposed to a variety of metal fumes, including manganese that may elevate the risk for neurological diseases. The control of metals concentration in the air of the working area is difficult due to the lack of reference materials. The creation of reference materials of welding fumes composition is a challenge due to chemical characteristics of their physical properties. Synthetic samples in a form of the polymer film containing powder particles of welding fumes were create. Studies on the selection of the polymer were done. Experiments proved that the qualitative materials of synthetic welding fumes are obtained by using polyvinyl alcohol. The metals concentration in the samples was determined by X-ray fluorescence analysis. The obtained data demonstrates indirectly the uniform distribution of welding fumes powder particles on the polymer film.

The production and certification of a plutonium equal-atom reference material: NBL CRM 128

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

Crawford, D.W.; Gradle, C.G.; Soriano, M.D.

This report describes the design, production, and certification of the New Brunswick Laboratory plutonium equal-atom certified reference material (CRM), NBL CRM 128. The primary use of this CRM is for the determination of bias corrections encountered in the operation of a mass spectrometer. This reference material is available to the US Department of Energy contractor-operated and government-operated laboratories, as well as to the international nuclear safeguards community. The absolute, or unbiased, certified value for the CRM's Pu-242/Pu-239 ratio is 1.00063 {plus minus} 0.00026 (95% confidence interval) as of October 1, 1984. This value was obtained through the quantitative blending ofmore » high-purity, chemically and isotopically characterized separated isotopes, as well as through intercomparisons of CRM samples with calibration mixtures using thermal ionization mass spectrometry. 32 tabs.« less

Characterization of NIES CRM No. 23 Tea Leaves II for the determination of multielements.

PubMed

Mori, Ikuko; Ukachi, Miyuki; Nagano, Kimiyo; Ito, Hiroyasu; Yoshinaga, Jun; Nishikawa, Masataka

2010-05-01

A candidate environmental certified reference material (CRM) for the determination of multielements in tea leaves and materials of similar matrix, NIES CRM No. 23 Tea Leaves II, has been developed and characterized by the National Institute for Environmental Studies (NIES), Japan. The origin of the material was tea leaves, which were ground, sieved through a 106-microm mesh, homogenized, and then subdivided into amber glass bottles. The results of homogeneity and stability tests indicated that the material was sufficiently homogeneous and stable for use as a reference material. The property values of the material were statistically determined based on chemical analyses by a network of laboratories using a wide range of methods. Sixteen laboratories participated in the characterization, and nine certified values and five reference values were obtained. These property values of the candidate CRM, which are expressed as mass fractions, were close to the median and/or mean values of the mass fractions of elements in various tea products. The candidate CRM is appropriate for use in analytical quality control and in the evaluation of methods used in the analysis of tea and materials of similar matrix.

Thermal and Chemical Characterization of Non-metallic Materials Using Coupled Thermogravimetric Analysis and Infrared Spectroscopy

NASA Technical Reports Server (NTRS)

Huff, Timothy L.; Griffin, Dennis E. (Technical Monitor)

2001-01-01

Thermogravimetric analysis (TGA) is widely employed in the thermal characterization of non-metallic materials, yielding valuable information on decomposition characteristics of a sample over a wide temperature range. However, a potential wealth of chemical information is lost during the process, with the evolving gases generated during thermal decomposition escaping through the exhaust line. Fourier Transform-Infrared spectroscopy (FT-IR) is a powerful analytical technique for determining many chemical constituents while in any material state, in this application, the gas phase. By linking these two techniques, evolving gases generated during the TGA process are directed into an appropriately equipped infrared spectrometer for chemical speciation. Consequently, both thermal decomposition and chemical characterization of a material may be obtained in a single sample run. In practice, a heated transfer line is employed to connect the two instruments while a purge gas stream directs the evolving gases into the FT-IR, The purge gas can be either high purity air or an inert gas such as nitrogen to allow oxidative and pyrolytic processes to be examined, respectively. The FT-IR data is collected real-time, allowing continuous monitoring of chemical compositional changes over the course of thermal decomposition. Using this coupled technique, an array of diverse materials has been examined, including composites, plastics, rubber, fiberglass epoxy resins, polycarbonates, silicones, lubricants and fluorocarbon materials. The benefit of combining these two methodologies is of particular importance in the aerospace community, where newly developing materials have little available data with which to refer. By providing both thermal and chemical data simultaneously, a more definitive and comprehensive characterization of the material is possible. Additionally, this procedure has been found to be a viable screening technique for certain materials, with the generated data useful in the selection of other appropriate analytical procedures for further material characterization.

Validation of reference materials for uranium radiochronometry in the frame of nuclear forensic investigations

DOE PAGES

Varga, Z.; Mayer, K.; Bonamici, C. E.; ...

2015-05-11

The results of a joint effort by expert nuclear forensic laboratories in the area of age dating of uranium, i.e. the elapsed time since the last chemical purification of the material are presented and discussed. Completely separated uranium materials of known production date were distributed among the laboratories, and the samples were dated according to routine laboratory procedures by the measurement of the ²²⁰Th/²³⁴U ratio. The measurement results were in good agreement with the known production date showing that the concept for preparing uranium age dating reference material based on complete separation is valid. Detailed knowledge of the laboratory proceduresmore » used for uranium age dating allows the identification of possible improvements in the current protocols and the development of improved practice in the future. The availability of age dating reference materials as well as the evolvement of the age dating best-practice protocol will increase the relevance and applicability of age dating as part of the tool-kit available for nuclear forensic investigations.« less

Validation of reference materials for uranium radiochronometry in the frame of nuclear forensic investigations

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

Varga, Z.; Mayer, K.; Bonamici, C. E.

The results of a joint effort by expert nuclear forensic laboratories in the area of age dating of uranium, i.e. the elapsed time since the last chemical purification of the material are presented and discussed. Completely separated uranium materials of known production date were distributed among the laboratories, and the samples were dated according to routine laboratory procedures by the measurement of the ²²⁰Th/²³⁴U ratio. The measurement results were in good agreement with the known production date showing that the concept for preparing uranium age dating reference material based on complete separation is valid. Detailed knowledge of the laboratory proceduresmore » used for uranium age dating allows the identification of possible improvements in the current protocols and the development of improved practice in the future. The availability of age dating reference materials as well as the evolvement of the age dating best-practice protocol will increase the relevance and applicability of age dating as part of the tool-kit available for nuclear forensic investigations.« less

International Symposium on Polymer Electrolytes (1st)

DTIC Science & Technology

1987-06-01

second order transitions, and chemical stability, e.g. dehydration or chemical decomposition . This is a powerful technique which can be used...References (M.Watanabe et. al) 1) Polym.J., 15, 65, 175 (1983). 2) Polym.J., 16, 711 (1984); 17, 549 (1985). 3) Macromolecules, 18, 1945 (1985). 4) Nippon...material is an organically modified silicate which gives, alter hydrolysis and condensation, an organic-inorganic glass. The silica network gives good

Development of liquid chromatographic methods for the determination of phytosterols in Standard Reference Materials containing saw palmetto.

PubMed

Bedner, Mary; Schantz, Michele M; Sander, Lane C; Sharpless, Katherine E

2008-05-23

Liquid chromatographic (LC) methods using atmospheric pressure chemical ionization/mass spectrometric (APCI-MS) detection were developed for the separation and analysis of the phytosterols campesterol, cycloartenol, lupenone, lupeol, beta-sitosterol, and stigmasterol. Brassicasterol and cholesterol were also included for investigation as internal standards. The methods were used to identify and quantify the phytosterols in each of two Serenoa repens (saw palmetto) Standard Reference Materials (SRMs) developed by the National Institute of Standards and Technology (NIST). Values obtained by LC-MS were compared to those obtained using the more traditional approach of gas chromatography with flame ionization detection. This is the first reported use of LC-MS to determine phytosterols in saw palmetto dietary supplement materials.

Guidelines for the selection of chemical-protective clothing. Volume 2. Technical and reference manual. (3rd Edition). Report for January 1985-March 1987

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

Schwope, A.D.; Costas, P.P.; Jackson, J.O.

1987-02-01

A variety of protective-clothing items are commercially available for emergency response and other applications where chemical hazards may be encountered. Data and information for selecting chemical-protective clothing is either not available or is inconsistant from source to source. In 1983, the U.S. Environmental Protection Agency sponsored the development of chemical-protective clothing selection guidelines to assist their own Office of Health and Safety in providing guidance to personnel, primarily EPA employees and contractors, working on hazardous-waste sites. These guidelines allowed a user to select an appropriate protective material for a specific chemical, select a clothing item (glove, suit, etc.), and thenmore » determine which manufacturers offered the clothing item in the recommended material. The U.S, Coast Guard Office of Research and Development and the EPA have supplemented these guidelines with additional data on material chemical resistance, material physical properties, clothing design features, and specific-vendor products. A chapter has been added for selecting chemical-protective suits. These guidelines contain data for over 750 chemicals and 700 clothing products. Volume I provides performance information and recommendations for selecting different types of protective clothing. Volume II contains a detailed technical discussion, and the data on which Volume I recommendations are based. The U.S. Coast Guard intends to use these guidelines for protective-clothing selection by its National Strike Force and Marine Safety Offices.« less

Quantification of the predominant monomeric catechins in baking chocolate standard reference material by LC/APCI-MS.

PubMed

Nelson, Bryant C; Sharpless, Katherine E

2003-01-29

Catechins are polyphenolic plant compounds (flavonoids) that may offer significant health benefits to humans. These benefits stem largely from their anticarcinogenic, antioxidant, and antimutagenic properties. Recent epidemiological studies suggest that the consumption of flavonoid-containing foods is associated with reduced risk of cardiovascular disease. Chocolate is a natural cocoa bean-based product that reportedly contains high levels of monomeric, oligomeric, and polymeric catechins. We have applied solid-liquid extraction and liquid chromatography coupled with atmospheric pressure chemical ionization-mass spectrometry to the identification and determination of the predominant monomeric catechins, (+)-catechin and (-)-epicatechin, in a baking chocolate Standard Reference Material (NIST Standard Reference Material 2384). (+)-Catechin and (-)-epicatechin are detected and quantified in chocolate extracts on the basis of selected-ion monitoring of their protonated [M + H](+) molecular ions. Tryptophan methyl ester is used as an internal standard. The developed method has the capacity to accurately quantify as little as 0.1 microg/mL (0.01 mg of catechin/g of chocolate) of either catechin in chocolate extracts, and the method has additionally been used to certify (+)-catechin and (-)-epicatechin levels in the baking chocolate Standard Reference Material. This is the first reported use of liquid chromatography/mass spectrometry for the quantitative determination of monomeric catechins in chocolate and the only report certifying monomeric catechin levels in a food-based Standard Reference Material.

High frequency reference electrode

DOEpatents

Kronberg, J.W.

1994-05-31

A high frequency reference electrode for electrochemical experiments comprises a mercury-calomel or silver-silver chloride reference electrode with a layer of platinum around it and a layer of a chemically and electrically resistant material such as TEFLON around the platinum covering all but a small ring or halo' at the tip of the reference electrode, adjacent to the active portion of the reference electrode. The voltage output of the platinum layer, which serves as a redox electrode, and that of the reference electrode are coupled by a capacitor or a set of capacitors and the coupled output transmitted to a standard laboratory potentiostat. The platinum may be applied by thermal decomposition to the surface of the reference electrode. The electrode provides superior high-frequency response over conventional electrodes. 4 figs.

High frequency reference electrode

DOEpatents

Kronberg, James W.

1994-01-01

A high frequency reference electrode for electrochemical experiments comprises a mercury-calomel or silver-silver chloride reference electrode with a layer of platinum around it and a layer of a chemically and electrically resistant material such as TEFLON around the platinum covering all but a small ring or "halo" at the tip of the reference electrode, adjacent to the active portion of the reference electrode. The voltage output of the platinum layer, which serves as a redox electrode, and that of the reference electrode are coupled by a capacitor or a set of capacitors and the coupled output transmitted to a standard laboratory potentiostat. The platinum may be applied by thermal decomposition to the surface of the reference electrode. The electrode provides superior high-frequency response over conventional electrodes.

Microscopic Electronic and Mechanical Properties of Ultra-Thin Layered Materials

DTIC Science & Technology

2016-07-25

Graphene single layers grown by chemical vapor deposition on single crystal Cu substrates are subject to nonuniform physisorption strains that...the observed highly nonuniform strains. 4. Connecting dopant bond type with electronic structure in N-doped graphene (reference [4]) Robust methods

Cesium-diode performances from the 1963-to-1971 Thermionic Conversion Specialist Conferences

NASA Technical Reports Server (NTRS)

Morris, J. F.

1972-01-01

Indexes and summaries of the conference papers containing cesium-diode results are presented. Lists of converter materials, geometries, conditions, outputs, and lifetimes accompany the references. Simple chemical designations for emitters, collectors, and additives direct the reader to appropriate selections.

[Comparative research on the NIR and MIR micro-imaging of two similar plastic materials].

PubMed

Wang, Dong; Ma, Zhi-Hong; Zhao, Liu; Pan, Li-Gang; Li, Xiao-Ting; Wang, Ji-Hua

2011-09-01

The NIR/MIR micro-imaging can supply not only the information of spectra, but also the information of spacial distribution of the sample, which is superior to the traditional NIR/MIR spectroscopy analysis. In the present paper, polyethylene and parafilm, with similar appearances, were regarded as the research objects, of which the NIR/MIR micro-imaging was collected. Chemical imaging (CI) and compare correlation imaging were carried out for the two materials respectively to discuss the imaging methods of the two materials. The result indicated that the differentiation of the CI values of the two materials in the NIR/MIR CI for material II was 0.004 8 and 0.254 8 respectively, while those in the NIR/MIR CI for material I were 0.002 6 and 0.326 5, respectively. Clear CI was acquired, and the two materials could be differentiated. The result of the compare correlation imagings indicated that the compare correlation imagings, in which the NIR/MIR spectra of the two materials were regarded as reference spectra respectively, can differentiate the two materials remarkably with clear imagings. In the compare correlation imagings of MIR micro-imaging, the difference of the correlation coefficients between the two materials' MIR spectra and the reference spectrum was more than 0.12, which showed a better imaging result; while a tiny difference of the correlation coefficients between the two materials' NIR spectra and the reference spectrum could be employed to show a clear imaging result for NIR compare correlation imaging so as to differentiate the two materials. This thesis, to some extent, can supply the reference to not only the rapid discrimination of the safety of the packaging material for agri-food, but also the imaging methods for NIR/MIR micro-imaging to differentiate the different materials.

Recent advances on polyoxometalate-based molecular and composite materials.

PubMed

Song, Yu-Fei; Tsunashima, Ryo

2012-11-21

Polyoxometalates (POMs) are a subset of metal oxides with unique physical and chemical properties, which can be reliably modified through various techniques and methods to develop sophisticated materials and devices. In parallel with the large number of new crystal structures reported in the literature, the application of these POMs towards multifunctional materials has attracted considerable attention. This critical review summarizes recent progress on POM-based molecular and composite materials, and particularly highlights the emerging areas that are closely related to surface, electronic, energy, environment, life science, etc. (171 references).

Chemical sensors based on surface charge transfer

NASA Astrophysics Data System (ADS)

Mohtasebi, Amirmasoud; Kruse, Peter

2018-02-01

The focus of this review is an introduction to chemiresistive chemical sensors. The general concept of chemical sensors is briefly introduced, followed by different architectures of chemiresistive sensors and relevant materials. For several of the most common systems, the fabrication of the active materials used in such sensors and their properties are discussed. Furthermore, the sensing mechanism, advantages, and limitations of each group of chemiresistive sensors are briefly elaborated. Compared to electrochemical sensors, chemiresistive sensors have the key advantage of a simpler geometry, eliminating the need for a reference electrode. The performance of bulk chemiresistors can be improved upon by using freestanding ultra-thin films (nanomaterials) or field effect geometries. Both of those concepts have also been combined in a gateless geometry, where charge transport though a percolation network of nanomaterials is modulated via adsorbate doping.

Development of urine standard reference materials for metabolites of organic chemicals including polycyclic aromatic hydrocarbons, phthalates, phenols, parabens, and volatile organic compounds.

PubMed

Schantz, Michele M; Benner, Bruce A; Heckert, N Alan; Sander, Lane C; Sharpless, Katherine E; Vander Pol, Stacy S; Vasquez, Y; Villegas, M; Wise, Stephen A; Alwis, K Udeni; Blount, Benjamin C; Calafat, Antonia M; Li, Zheng; Silva, Manori J; Ye, Xiaoyun; Gaudreau, Éric; Patterson, Donald G; Sjödin, Andreas

2015-04-01

Two new Standard Reference Materials (SRMs), SRM 3672 Organic Contaminants in Smokers' Urine (Frozen) and SRM 3673 Organic Contaminants in Non-Smokers' Urine (Frozen), have been developed in support of studies for assessment of human exposure to select organic environmental contaminants. Collaborations among three organizations resulted in certified values for 11 hydroxylated polycyclic aromatic hydrocarbons (OH-PAHs) and reference values for 11 phthalate metabolites, 8 environmental phenols and parabens, and 24 volatile organic compound (VOC) metabolites. Reference values are also available for creatinine and the free forms of caffeine, theobromine, ibuprofen, nicotine, cotinine, and 3-hydroxycotinine. These are the first urine Certified Reference Materials characterized for metabolites of organic environmental contaminants. Noteworthy, the mass fractions of the environmental organic contaminants in the two SRMs are within the ranges reported in population survey studies such as the National Health and Nutrition Examination Survey (NHANES) and the Canadian Health Measures Survey (CHMS). These SRMs will be useful as quality control samples for ensuring compatibility of results among population survey studies and will fill a void to assess the accuracy of analytical methods used in studies monitoring human exposure to these organic environmental contaminants.

Development of urine standard reference materials for metabolites of organic chemicals including polycyclic aromatic hydrocarbons, phthalates, phenols, parabens, and volatile organic compounds

PubMed Central

Schantz, Michele M.; Benner, Bruce A.; Heckert, N. Alan; Sander, Lane C.; Sharpless, Katherine E.; Vander Pol, Stacy S.; Vasquez, Y.; Villegas, M.; Wise, Stephen A.; Alwis, K. Udeni; Blount, Benjamin C.; Calafat, Antonia M.; Li, Zheng; Silva, Manori J.; Ye, Xiaoyun; Gaudreau, Éric; Patterson, Donald G.; Sjödin, Andreas

2016-01-01

Two new Standard Reference Materials (SRMs), SRM 3672 Organic Contaminants in Smokers’ Urine (Frozen) and SRM 3673 Organic Contaminants in Non-Smokers’ Urine (Frozen), have been developed in support of studies for assessment of human exposure to select organic environmental contaminants. Collaborations among three organizations resulted in certified values for 11 hydroxylated polycyclic aromatic hydrocarbons (OH-PAHs) and reference values for 11 phthalate metabolites, 8 environmental phenols and parabens, and 24 volatile organic compound (VOC) metabolites. Reference values are also available for creatinine and the free forms of caffeine, theobromine, ibuprofen, nicotine, cotinine, and 3-hydroxycotinine. These are the first urine Certified Reference Materials characterized for metabolites of organic environmental contaminants. Noteworthy, the mass fractions of the environmental organic contaminants in the two SRMs are within the ranges reported in population survey studies such as the National Health and Nutrition Examination Survey (NHANES) and the Canadian Health Measures Survey (CHMS). These SRMs will be useful as quality control samples for ensuring compatibility of results among population survey studies and will fill a void to assess the accuracy of analytical methods used in studies monitoring human exposure to these organic environmental contaminants. PMID:25651899

Procedure for contact electrical resistance measurements as developed for use at Sandia National Laboratories

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

Finch, J.L.

1994-06-01

Military Specifications call out general procedures and guidelines for conducting contact resistance measurements on chemical conversion coated panels. This paper deals with a test procedure developed at Sandia National Laboratories used to conduct contact electrical resistance on non-chromated conversion coated test panels. MIL-C-81706 {open_quotes}Chemical Conversion Materials For Coating Aluminum and Aluminum Alloys{close_quotes} was the reference specification used for guidance.

Conservation and Renewable Energy Program: Bibliography, 1988 edition

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

Vaughan, K.H.

The 831 references covering the period 1980 through Feb. 1988, are arranged under the following: analysis and evaluation, building equipment, building thermal envelope systems and materials, community systems and cogeneration, residential conservation service, retrofit, advanced heat engine ceramics, alternative fuels, microemulsion fuels, industrial chemical heat pumps, materials for waste heat utilization, energy conversion and utilization materials, tribology, emergency energy conservation,inventions, electric energy systems, thermal storage, biofuels production, biotechnology, solar technology, geothermal, and continuous chromatography in multicomponent separations. An author index is included.

Physico-chemical characterisation of material fractions in residual and source-segregated household waste in Denmark.

PubMed

Götze, R; Pivnenko, K; Boldrin, A; Scheutz, C; Astrup, T Fruergaard

2016-08-01

Physico-chemical waste composition data are paramount for the assessment and planning of waste management systems. However, the applicability of data is limited by the regional, temporal and technical scope of waste characterisation studies. As Danish and European legislation aims for higher recycling rates evaluation of source-segregation and recycling chains gain importance. This paper provides a consistent up-to-date dataset for 74 physico-chemical parameters in 49 material fractions from residual and 24 material fractions from source-segregated Danish household waste. Significant differences in the physico-chemical properties of residual and source-segregated waste fractions were found for many parameters related to organic matter, but also for elements of environmental concern. Considerable differences in potentially toxic metal concentrations between the individual recyclable fractions within one material type were observed. This indicates that careful planning and performance evaluation of recycling schemes are important to ensure a high quality of collected recyclables. Rare earth elements (REE) were quantified in all waste fractions analysed, with the highest concentrations of REE found in fractions with high content of mineral raw materials, soil materials and dust. The observed REE concentrations represent the background concentration level in non-hazardous waste materials that may serve as a reference point for future investigations related to hazardous waste management. The detailed dataset provided here can be used for assessments of waste management solutions in Denmark and for the evaluation of the quality of recyclable materials in waste. Copyright © 2016 Elsevier Ltd. All rights reserved.

Chemical, Mineralogical, and Physical Properties of Martian Dust and Soil

NASA Technical Reports Server (NTRS)

Ming, D. W.; Morris, R. V.

2017-01-01

Global and regional dust storms on Mars have been observed from Earth-based telescopes, Mars orbiters, and surface rovers and landers. Dust storms can be global and regional. Dust is material that is suspended into the atmosphere by winds and has a particle size of 1-3 micrometer. Planetary scientist refer to loose unconsolidated materials at the surface as "soil." The term ''soil'' is used here to denote any loose, unconsolidated material that can be distinguished from rocks, bedrock, or strongly cohesive sediments. No implication for the presence or absence of organic materials or living matter is intended. Soil contains local and regional materials mixed with the globally distributed dust by aeolian processes. Loose, unconsolidated surface materials (dust and soil) may pose challenges for human exploration on Mars. Dust will no doubt adhere to spacesuits, vehicles, habitats, and other surface systems. What will be the impacts on human activity? The objective of this paper is to review the chemical, mineralogical, and physical properties of the martian dust and soil.

Target materials for exotic ISOL beams

NASA Astrophysics Data System (ADS)

Gottberg, A.

2016-06-01

The demand for intensity, purity, reliability and availability of short-lived isotopes far from stability is steadily high, and considerably exceeding the supply. In many cases the ISOL (Isotope Separation On-Line) method can provide beams of high intensity and purity. Limitations in terms of accessible chemical species and minimum half-life are driven mainly by chemical reactions and physical processes inside of the thick target. A wide range of materials are in use, ranging from thin metallic foils and liquids to refractory ceramics, while poly-phasic mixed uranium carbides have become the reference target material for most ISOL facilities world-wide. Target material research and development is often complex and especially important post-irradiation analyses are hindered by the high intrinsic radiotoxicity of these materials. However, recent achievements have proven that these investigations are possible if the effort of different facilities is combined, leading to the development of new material matrices that can supply new beams of unprecedented intensity and beam current stability.

Nanoscale reference materials for environmental, health and safety measurements: needs, gaps and opportunities.

PubMed

Stefaniak, Aleksandr B; Hackley, Vincent A; Roebben, Gert; Ehara, Kensei; Hankin, Steve; Postek, Michael T; Lynch, Iseult; Fu, Wei-En; Linsinger, Thomas P J; Thünemann, Andreas F

2013-12-01

The authors critically reviewed published lists of nano-objects and their physico-chemical properties deemed important for risk assessment and discussed metrological challenges associated with the development of nanoscale reference materials (RMs). Five lists were identified that contained 25 (classes of) nano-objects; only four (gold, silicon dioxide, silver, titanium dioxide) appeared on all lists. Twenty-three properties were identified for characterisation; only (specific) surface area appeared on all lists. The key themes that emerged from this review were: 1) various groups have prioritised nano-objects for development as "candidate RMs" with limited consensus; 2) a lack of harmonised terminology hinders accurate description of many nano-object properties; 3) many properties identified for characterisation are ill-defined or qualitative and hence are not metrologically traceable; 4) standardised protocols are critically needed for characterisation of nano-objects as delivered in relevant media and as administered to toxicological models; 5) the measurement processes being used to characterise a nano-object must be understood because instruments may measure a given sample in a different way; 6) appropriate RMs should be used for both accurate instrument calibration and for more general testing purposes (e.g., protocol validation); 7) there is a need to clarify that where RMs are not available, if "(representative) test materials" that lack reference or certified values may be useful for toxicology testing and 8) there is a need for consensus building within the nanotechnology and environmental, health and safety communities to prioritise RM needs and better define the required properties and (physical or chemical) forms of the candidate materials.

The determination of lead in sugar and sweets without digestion by electrothermal atomic absorption spectrometry (ETAAS) with a rhodium chemical modifier.

PubMed

Dias, V M C; Cardoso, A S B

2006-05-01

Reference methods for determining lead in food are usually time-consuming. This paper reports a straightforward procedure using electrothermal atomic absorption spectrometry (ETAAS), to determine lead (Pb) in fat-free sweets. Several chemical modifiers were examined and results showed that it is not necessary to digest the samples, when a rhodium (Rh) modifier was used. The samples were dissolved in nitric acid and the determination of Pb was performed by ETAAS, using Rh chemical modifier at a pyrolysis temperature of 900 degrees C and an atomization temperature of 1,500 degrees C. No ashing step was employed and aqueous standards were used, in the range 2-10 microg l(-1). The limit of quantification was 0.095 mg kg(-1), and the accuracy of the method was verified by analysing certified reference materials.

26 CFR 52.4682-3 - Imported taxable products.

Code of Federal Regulations, 2013 CFR

2013-04-01

....4682-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) MISCELLANEOUS...; references to Tables; special rule for 1990—(1) Overview. This section provides rules relating to the tax... products, determining the weight of the ozone-depleting chemicals (ODCs) used as materials in the...

40 CFR Appendix A to Part 136 - Methods for Organic Chemical Analysis of Municipal and Industrial Wastewater

Code of Federal Regulations, 2010 CFR

2010-07-01

... the learest 0.1 mg. 6.5.2Add the assayed reference material: 6.5.2.1Liquid—Using a 100 µL syringe... chromatograph and all required accessories including syringes, analytical columns, and gases. The injection port...

40 CFR Appendix A to Part 136 - Methods for Organic Chemical Analysis of Municipal and Industrial Wastewater

Code of Federal Regulations, 2011 CFR

2011-07-01

... the learest 0.1 mg. 6.5.2Add the assayed reference material: 6.5.2.1Liquid—Using a 100 µL syringe... chromatograph and all required accessories including syringes, analytical columns, and gases. The injection port...

Systematic Review Protocol for the IRIS Chloroform Assessment (Inhalation) (Preliminary Assessment Materials)

EPA Science Inventory

In January 2018, EPA released the Systematic Review Protocol for the IRIS Chloroform Assessment (Inhalation). As part of developing a draft IRIS assessment, EPA presents a methods document, referred to as the protocol, for conducting a chemical-specific systematic revie...

Database for Safety-Oriented Tracking of Chemicals

NASA Technical Reports Server (NTRS)

Stump, Jacob; Carr, Sandra; Plumlee, Debrah; Slater, Andy; Samson, Thomas M.; Holowaty, Toby L.; Skeete, Darren; Haenz, Mary Alice; Hershman, Scot; Raviprakash, Pushpa

2010-01-01

SafetyChem is a computer program that maintains a relational database for tracking chemicals and associated hazards at Johnson Space Center (JSC) by use of a Web-based graphical user interface. The SafetyChem database is accessible to authorized users via a JSC intranet. All new chemicals pass through a safety office, where information on hazards, required personal protective equipment (PPE), fire-protection warnings, and target organ effects (TOEs) is extracted from material safety data sheets (MSDSs) and recorded in the database. The database facilitates real-time management of inventory with attention to such issues as stability, shelf life, reduction of waste through transfer of unused chemicals to laboratories that need them, quantification of chemical wastes, and identification of chemicals for which disposal is required. Upon searching the database for a chemical, the user receives information on physical properties of the chemical, hazard warnings, required PPE, a link to the MSDS, and references to the applicable International Standards Organization (ISO) 9000 standard work instructions and the applicable job hazard analysis. Also, to reduce the labor hours needed to comply with reporting requirements of the Occupational Safety and Health Administration, the data can be directly exported into the JSC hazardous- materials database.

Examination of lignocellulosic fibers for chemical, thermal, and separations properties: Addressing thermo-chemical stability issues

NASA Astrophysics Data System (ADS)

Johnson, Carter David

Natural fiber-plastic composites incorporate thermoplastic resins with fibrous plant-based materials, sometimes referred to as biomass. Pine wood mill waste has been the traditional source of natural fibrous feedstock. In anticipation of a waste wood shortage other fibrous biomass materials are being investigated as potential supplements or replacements. Perennial grasses, agricultural wastes, and woody biomass are among the potential source materials. As these feedstocks share the basic chemical building blocks; cellulose, hemicellulose, and lignin, they are collectively called lignocellulosics. Initial investigation of a number of lignocellulosic materials, applied to fiber-plastic composite processing and material testing, resulted in varied results, particularly response to processing conditions. Less thermally stable lignocellulosic filler materials were physically changed in observable ways: darkened color and odor. The effect of biomass materials' chemical composition on thermal stability was investigated an experiment involving determination of the chemical composition of seven lignocellulosics: corn hull, corn stover, fescue, pine, soy hull, soy stover, and switchgrass. These materials were also evaluated for thermal stability by thermogravimetric analysis. The results of these determinations indicated that both chemical composition and pretreatment of lignocellulosic materials can have an effect on their thermal stability. A second study was performed to investigate what effect different pretreatment systems have on hybrid poplar, pine, and switchgrass. These materials were treated with hot water, ethanol, and a 2:1 benzene/ethanol mixture for extraction times of: 1, 3, 6, 12, and 24 hours. This factorial experiment demonstrated that both extraction time and medium have an effect on the weight percent of extractives removed from all three material types. The extracted materials generated in the above study were then subjected to an evaluation of thermal stability by thermogravimetric analysis in a subsequent experiment. Overlay plots, combining individual weight loss curves, demonstrate that the experimental factors, solvent system and extraction time, produce effects on the thermal stability of the treated biomass samples. These data also indicated that the individual lignocellulosic materials had unique responses to the type of solvent used for pretreatment. Increasing extraction time had either no correlation with or a positive effect on thermal stability of the biomass samples.

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.

Determination of silicon in biological and botanical reference materials by epithermal INAA and Compton suppression

NASA Astrophysics Data System (ADS)

Landsberger, S.; Peshev, S.; Becker, D. A.

1994-12-01

Silicon determination in sixteen botanical and biological standard reference materials is described using the 29Si(n, p) 29Al reaction through instrumental epithermal neutron activation analysis and Compton suppression gamma-ray spectroscopy. By simultaneous utilization of both cadmium and boron epithermal filters along with anticoincidence gamma-counting, detection limits as low as 12 ppm were obtained for certain matrices, much lower than previously reported values for this type of analysis. The method is applicable to many botanical and biological matrices and is attractive with its interference free, purely instrumental nature, compared with methods using the 28Si(n, p) 28Al reaction or chemical separation techniques.

Statistical Physics of Rupture in Heterogeneous Media

NASA Astrophysics Data System (ADS)

Sornette, Didier

The damage and fracture of materials are technologically of enormous interest due to their economic and human cost. They cover a wide range of phenomena like cracking of glass, aging of concrete, the failure of fiber networks in the formation of paper and the breaking of a metal bar subject to an external load. Failure of composite systems is of utmost importance in naval, aeronautics and space industry [1]. By the term composite, we refer to materials with heterogeneous microscopic structures and also to assemblages of macroscopic elements forming a super-structure. Chemical and nuclear plants suffer from cracking due to corrosion either of chemical or radioactive origin, aided by thermal and/or mechanical stress.

Shell Biorefinery: Dream or Reality?

PubMed

Chen, Xi; Yang, Huiying; Yan, Ning

2016-09-12

Shell biorefinery, referring to the fractionation of crustacean shells into their major components and the transformation of each component into value-added chemicals and materials, has attracted growing attention in recent years. Since the large quantities of waste shells remain underexploited, their valorization can potentially bring both ecological and economic benefits. This Review provides an overview of the current status of shell biorefinery. It first describes the structural features of crustacean shells, including their composition and their interactions. Then, various fractionation methods for the shells are introduced. The last section is dedicated to the valorization of chitin and its derivatives for chemicals, porous carbon materials and functional polymers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Studies on the growth and reproduction of bacterial communities on structural materials of the international space station].

PubMed

Rakova, N M; Svistunova, Iu V; Novikova, N D

2005-01-01

Probability of microbial growth and reproduction on the ISS interior and equipment materials varying in chemical composition was studied with the strains of Bacillus subtilis, Staphylococcus epidermidis, Staphylococcus saprophyticus, Pseudomonas putida etc. sampled from the ISS environment. Controls were ground reference strains of same bacterial species. Based on our results, some of the microorganisms are able to survive and proliferate on structural materials; the ability was greater in space isolates as compared with their ground analogs. The greatest ability to grow and proliferate on materials was demonstrated by Bacillus subtilis.

40 CFR 59.110 - Incorporations by Reference.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Register. (1) ASTM D 1613-96, Standard Test Method for Acidity in Volatile Solvents and Chemical Intermediates Used in Paint, Varnish, Lacquer, and Related Products, IBR approved for § 59.104(d). (2) ASTM D... Society for Testing and Materials (ASTM), 100 Barr Harbor Drive, West Conshohocken, PA, 19428, telephone...

40 CFR 160.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... under FIFRA sections 3, 4 or 24(c). (2) An application for an experimental use permit under FIFRA... distribution of a pesticide. Batch means a specific quantity or lot of a test, control, or reference substance... to a test system. Control substance means any chemical substance or mixture, or any other material...

40 CFR 160.3 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... under FIFRA sections 3, 4 or 24(c). (2) An application for an experimental use permit under FIFRA... distribution of a pesticide. Batch means a specific quantity or lot of a test, control, or reference substance... to a test system. Control substance means any chemical substance or mixture, or any other material...

40 CFR 160.3 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... under FIFRA sections 3, 4 or 24(c). (2) An application for an experimental use permit under FIFRA... distribution of a pesticide. Batch means a specific quantity or lot of a test, control, or reference substance... to a test system. Control substance means any chemical substance or mixture, or any other material...

40 CFR 160.3 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... under FIFRA sections 3, 4 or 24(c). (2) An application for an experimental use permit under FIFRA... distribution of a pesticide. Batch means a specific quantity or lot of a test, control, or reference substance... to a test system. Control substance means any chemical substance or mixture, or any other material...

40 CFR 160.3 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... under FIFRA sections 3, 4 or 24(c). (2) An application for an experimental use permit under FIFRA... distribution of a pesticide. Batch means a specific quantity or lot of a test, control, or reference substance... to a test system. Control substance means any chemical substance or mixture, or any other material...

[Hygienic study and evaluation of textile materials with reduced combustibility with reference to the use of the new anti-inflammable preparations Pyrofix 2 and Torflam].

PubMed

Uzunova, S; Baĭnova, A; Iordanova, I; Dolova, D

1986-01-01

The new anti-flammable preparations, proposed by the Higher Chemical Technology Institute (Sofia), were studied, namely: Pyrofix 2--for treatment of textile materials and Torflam--for production of anti-inflammable polyester fibres. The following parameters were studied: skin-irritating and skin-sensitizing effect of both preparations, skin toxic effect of Pyrofix 2 and migration of chemicals from the anti-inflammable textile materials (from the composition of the preparations used). The results obtained revealed the absence of skin-irritating and skin-sensitizing effect of both preparations and cumulative dermal toxicity of Pyrofix 2. The textile materials with reduced combustibility are chemically stable and do not release compounds in the contact aqueous medium, imitating the underclothes space. Formaldehyde from recipe for the treatment of Pyrofix 2 migrates in the air environment. In conclusion, Pyrofix 2 could be applied for the final anti-inflammable treatment of the textile materials for industrial needs, working garments and everyday textile (with the elimination of formaldehyde compound from the recipe). Torflam could be used in the production of anti-inflammable polyester fibres for textile materials intended for industry and everyday life without immediate contact with the skin of the consumers.

Reference materials and representative test materials to develop nanoparticle characterization methods: the NanoChOp project case

NASA Astrophysics Data System (ADS)

Roebben, Gert; Kestens, Vikram; Varga, Zoltan; Charoud-Got, Jean; Ramaye, Yannic; Gollwitzer, Christian; Bartczak, Dorota; Geißler, Daniel; Noble, James; Mazoua, Stéphane; Meeus, Nele; Corbisier, Philippe; Palmai, Marcell; Mihály, Judith; Krumrey, Michael; Davies, Julie; Resch-Genger, Ute; Kumarswami, Neelam; Minelli, Caterina; Sikora, Aneta; Goenaga-Infante, Heidi

2015-10-01

This paper describes the production and characteristics of the nanoparticle test materials prepared for common use in the collaborative research project NanoChOp (Chemical and optical characterisation of nanomaterials in biological systems), in casu suspensions of silica nanoparticles and CdSe/CdS/ZnS quantum dots. This paper is the first to illustrate how to assess whether nanoparticle test materials meet the requirements of a 'reference material' (ISO Guide 30:2015) or rather those of the recently defined category of 'representative test material' (ISO TS 16195:2013). The NanoChOp test materials were investigated with small-angle X-ray scattering (SAXS), dynamic light scattering (DLS) and centrifugal liquid sedimentation (CLS) to establish whether they complied with the required monomodal particle size distribution. The presence of impurities, aggregates, agglomerates and viable microorganisms in the suspensions was investigated with DLS, CLS, optical and electron microscopy and via plating on nutrient agar. Suitability of surface functionalization was investigated with attenuated total reflection Fourier transform infrared spectrometry (ATR-FTIR) and via the capacity of the nanoparticles to be fluorescently labeled or to bind antibodies. Between-unit homogeneity and stability were investigated in terms of particle size and zeta potential. This paper shows that only based on the outcome of a detailed characterization process one can raise the status of a test material to representative test material or reference material, and how this status depends on its intended use.

Quantitative measurement of the chemical composition of geological standards with a miniature laser ablation/ionization mass spectrometer designed for in situ application in space research

NASA Astrophysics Data System (ADS)

Neuland, M. B.; Grimaudo, V.; Mezger, K.; Moreno-García, P.; Riedo, A.; Tulej, M.; Wurz, P.

2016-03-01

A key interest of planetary space missions is the quantitative determination of the chemical composition of the planetary surface material. The chemical composition of surface material (minerals, rocks, soils) yields fundamental information that can be used to answer key scientific questions about the formation and evolution of the planetary body in particular and the Solar System in general. We present a miniature time-of-flight type laser ablation/ionization mass spectrometer (LMS) and demonstrate its capability in measuring the elemental and mineralogical composition of planetary surface samples quantitatively by using a femtosecond laser for ablation/ionization. The small size and weight of the LMS make it a remarkable tool for in situ chemical composition measurements in space research, convenient for operation on a lander or rover exploring a planetary surface. In the laboratory, we measured the chemical composition of four geological standard reference samples USGS AGV-2 Andesite, USGS SCo-l Cody Shale, NIST 97b Flint Clay and USGS QLO-1 Quartz Latite with LMS. These standard samples are used to determine the sensitivity factors of the instrument. One important result is that all sensitivity factors are close to 1. Additionally, it is observed that the sensitivity factor of an element depends on its electron configuration, hence on the electron work function and the elemental group in agreement with existing theory. Furthermore, the conformity of the sensitivity factors is supported by mineralogical analyses of the USGS SCo-l and the NIST 97b samples. With the four different reference samples, the consistency of the calibration factors can be demonstrated, which constitutes the fundamental basis for a standard-less measurement-technique for in situ quantitative chemical composition measurements on planetary surface.

The Physics and Chemistry of Materials

NASA Astrophysics Data System (ADS)

Gersten, Joel I.; Smith, Frederick W.

2001-06-01

A comprehensive introduction to the structure, properties, and applications of materials This title provides the first unified treatment for the broad subject of materials. Authors Gersten and Smith use a fundamental approach to define the structure and properties of a wide range of solids on the basis of the local chemical bonding and atomic order present in the material. Emphasizing the physical and chemical origins of material properties, the book focuses on the most technologically important materials being utilized and developed by scientists and engineers. Appropriate for use in advanced materials courses, The Physics and Chemistry of Materials provides the background information necessary to assimilate the current academic and patent literature on materials and their applications. Problem sets, illustrations, and helpful tables complete this well-rounded new treatment. Five sections cover these important topics: * Structure of materials, including crystal structure, bonding in solids, diffraction and the reciprocal lattice, and order and disorder in solids * Physical properties of materials, including electrical, thermal, optical, magnetic, and mechanical properties * Classes of materials, including semiconductors, superconductors, magnetic materials, and optical materials in addition to metals, ceramics, polymers, dielectrics, and ferroelectrics * A section on surfaces, thin films, interfaces, and multilayers discusses the effects of spatial discontinuities in the physical and chemical structure of materials * A section on synthesis and processing examines the effects of synthesis on the structure and properties of various materials This book is enhanced by a Web-based supplement that offers advanced material together with an entire electronic chapter on the characterization of materials. The Physics and Chemistry of Materials is a complete introduction to the structure and properties of materials for students and an excellent reference for scientists and engineers.

Guide for Teaching Chemistry-Physics Combined 1-2, 3-4 (PSSC - CHEMS).

ERIC Educational Resources Information Center

Millstone, H. George

This guide is written for a combined physics-chemistry course taught over a two-year period. The subject matter contains the major ideas in Chemical Education Materials Study (CHEMS) Chemistry and Physical Science Study Committee (PSSC) Physics. The guide includes discussion of text references, laboratory experiments, films, testing and evaluation…

Analysis of Scifinder Scholar and Web of Science Citation Searches.

ERIC Educational Resources Information Center

Whitley, Katherine M.

2002-01-01

With "Chemical Abstracts" and "Science Citation Index" both now available for citation searching, this study compares the duplication and uniqueness of citing references for works of chemistry researchers for the years 1999-2001. The two indexes cover very similar source material. This analysis of SciFinder Scholar and Web of…

How To Use Crystallographic Information in Teaching First-Year Chemistry.

ERIC Educational Resources Information Center

Bevan, D. J. M.; And Others

1988-01-01

Emphasizes the role that crystallography plays and has played in building up the body of chemical fact. Shows how the teaching of much of this material is illuminated by reference to crystal structures and crystallochemical relationships in all areas of chemistry. Discusses close packing, silicate structures, and salt hydrates. (CW)

Effects of the adulteration technique on the near-infrared detection of melamine in milk powder

USDA-ARS?s Scientific Manuscript database

The fraudulent adulteration of protein-rich food ingredients with melamine in 2007 and 2008 highlighted the public health and economic consequences of adulterating foods with chemicals not approved for food use. U.S. Pharmacopeia is leading a collaborative project to develop reference materials as w...

CHARACTERIZATION OF FINE PARTICLE ASSOCIATED ORGANIC COMPOUNDS: INTERLABORATORY COMPARISON AND DEVELOPMENT OF STANDARD REFERENCE MATERIALS

EPA Science Inventory

Organic chemicals adsorbed to fine particulate matter (PM) in the ambient air account for a major component of the mass and include source tracers as well as toxic compounds that may contribute to adverse human health effects. The US EPA has established a PM 2.5 research progr...

Electrothermal atomic absorption spectrometric determination of copper in nickel-base alloys with various chemical modifiers*1

NASA Astrophysics Data System (ADS)

Tsai, Suh-Jen Jane; Shiue, Chia-Chann; Chang, Shiow-Ing

1997-07-01

The analytical characteristics of copper in nickel-base alloys have been investigated with electrothermal atomic absorption spectrometry. Deuterium background correction was employed. The effects of various chemical modifiers on the analysis of copper were investigated. Organic modifiers which included 2-(5-bromo-2-pyridylazo)-5-(diethylamino-phenol) (Br-PADAP), ammonium citrate, 1-(2-pyridylazo)-naphthol, 4-(2-pyridylazo)resorcinol, ethylenediaminetetraacetic acid and Triton X-100 were studied. Inorganic modifiers palladium nitrate, magnesium nitrate, aluminum chloride, ammonium dihydrogen phosphate, hydrogen peroxide and potassium nitrate were also applied in this work. In addition, zirconium hydroxide and ammonium hydroxide precipitation methods have also been studied. Interference effects were effectively reduced with Br-PADAP modifier. Aqueous standards were used to construct the calibration curves. The detection limit was 1.9 pg. Standard reference materials of nickel-base alloys were used to evaluate the accuracy of the proposed method. The copper contents determined with the proposed method agreed closely with the certified values of the reference materials. The recoveries were within the range 90-100% with relative standard deviation of less than 10%. Good precision was obtained.

Two new organic reference materials for δ13C and δ15N measurements and a new value for the δ13C of NBS 22 oil

USGS Publications Warehouse

Qi, Haiping; Coplen, Tyler B.; Geilmann, Heike; Brand, Willi A.; Böhlke, J.K.

2003-01-01

Analytical grade L-glutamic acid is chemically stable and has a C/N mole ratio of 5, which is close to that of many of natural biological materials, such as blood and animal tissue. Two L-glutamic acid reference materials with substantially different 13C and 15N abundances have been prepared for use as organic reference materials for C and N isotopic measurements. USGS40 is analytical grade L-glutamic acid and has a δ13C value of −26.24‰ relative to VPDB and a δ15N value of −4.52‰ relative to N2 in air. USGS41 was prepared by dissolving analytical grade L-glutamic acid with L-glutamic acid enriched in 13C and 15N. USGS41 has a δ13C value of +37.76‰ and a δ15N value of +47.57‰. The δ13C and δ15N values of both materials were measured against the international reference materials NBS 19 calcium carbonate (δ13C = +1.95‰), L-SVEC lithium carbonate (δ13C = −46.48‰), IAEA-N-1 ammonium sulfate (δ15N = 0.43‰), and USGS32 potassium nitrate (δ15N = 180‰) by on-line combustion continuous-flow and off-line dual-inlet isotope-ratio mass spectrometry. Both USGS40 and USGS41 are isotopically homogeneous; reproducibility of δ13C is better than 0.13‰, and that of δ15N is better than 0.13‰ in 100-μg amounts. These two isotopic reference materials can be used for (i) calibrating local laboratory reference materials, and (ii) quantifying drift with time, mass-dependent fractionations, and isotope-ratio-scale contraction in the isotopic analysis of various biological materials. Isotopic results presented in this paper yield a δ13C value for NBS 22 oil of −29.91‰, in contrast to the commonly accepted value of −29.78‰ for which off-line blank corrections probably have not been quantified satisfactorily.

[Advances in research of chemical constituents and pharmacological activites of Bauhinia].

PubMed

Shang, Xiao-Ya; Liu, Wei; Zhao, Cong-Wei

2008-03-01

The research advances based on the related references were summarized in the last thirty years. Bauhinia contained many kinds of chemical constituents, primarily including flavanoids, steroids, terpenoid and so on, some of them were firstly obtained from the nature. Many plants of the Bauhinia are used in traditional medicine for their interesting biological activities such as antidiabetic, antiinflammatory, antimicrobial, analgesic, astringent and diuretic effects. This paper gives an overview of phytochemical and pharmacological research in Bauhinia, and it has been classified accordding to the chemical structure characteristics. To provide more material to draw on for further development and utilization resources of Bauhinia.

Green Toxicology: a strategy for sustainable chemical and material development.

PubMed

Crawford, Sarah E; Hartung, Thomas; Hollert, Henner; Mathes, Björn; van Ravenzwaay, Bennard; Steger-Hartmann, Thomas; Studer, Christoph; Krug, Harald F

2017-01-01

Green Toxicology refers to the application of predictive toxicology in the sustainable development and production of new less harmful materials and chemicals, subsequently reducing waste and exposure. Built upon the foundation of "Green Chemistry" and "Green Engineering", "Green Toxicology" aims to shape future manufacturing processes and safe synthesis of chemicals in terms of environmental and human health impacts. Being an integral part of Green Chemistry, the principles of Green Toxicology amplify the role of health-related aspects for the benefit of consumers and the environment, in addition to being economical for manufacturing companies. Due to the costly development and preparation of new materials and chemicals for market entry, it is no longer practical to ignore the safety and environmental status of new products during product development stages. However, this is only possible if toxicologists and chemists work together early on in the development of materials and chemicals to utilize safe design strategies and innovative in vitro and in silico tools. This paper discusses some of the most relevant aspects, advances and limitations of the emergence of Green Toxicology from the perspective of different industry and research groups. The integration of new testing methods and strategies in product development, testing and regulation stages are presented with examples of the application of in silico, omics and in vitro methods. Other tools for Green Toxicology, including the reduction of animal testing, alternative test methods, and read-across approaches are also discussed.

Role of chromatography in the development of Standard Reference Materials for organic analysis.

PubMed

Wise, Stephen A; Phinney, Karen W; Sander, Lane C; Schantz, Michele M

2012-10-26

The certification of chemical constituents in natural-matrix Standard Reference Materials (SRMs) at the National Institute of Standards and Technology (NIST) can require the use of two or more independent analytical methods. The independence among the methods is generally achieved by taking advantage of differences in extraction, separation, and detection selectivity. This review describes the development of the independent analytical methods approach at NIST, and its implementation in the measurement of organic constituents such as contaminants in environmental materials, nutrients and marker compounds in food and dietary supplement matrices, and health diagnostic and nutritional assessment markers in human serum. The focus of this review is the important and critical role that separation science techniques play in achieving the necessary independence of the analytical steps in the measurement of trace-level organic constituents in natural matrix SRMs. Published by Elsevier B.V.

Innovative oxide materials for electrochemical energy conversion and oxygen separation

NASA Astrophysics Data System (ADS)

Belousov, V. V.

2017-10-01

Ion-conducting solid metal oxides are widely used in high-temperature electrochemical devices for energy conversion and oxygen separation. However, liquid metal oxides possessing unique electrochemical properties still remain of limited use. The review demonstrates the potential for practical applications of molten oxides. The transport properties of molten oxide materials are discussed. The emphasis is placed on the chemical diffusion of oxygen in the molten oxide membrane materials for electrochemical energy conversion and oxygen separation. The thermodynamics of these materials is considered. The dynamic polymer chain model developed to describe the oxygen ion transport in molten oxides is discussed. Prospects for further research into molten oxide materials are outlined. The bibliography includes 145 references.

Investigation of wear resistance of polyurethanes in abrasive soil mass

NASA Astrophysics Data System (ADS)

Napiórkowski, Jerzy; Ligier, Krzysztof

2018-04-01

This paper presents a comparative study of polyurethane wear in different abrasive soil masses. Two types of polyurethanes of various chemical compositions and untreated 38GSA steel were tested, the latter being used as a reference standard. The study was conducted in natural soil mass at a "rotating bowl" stand. Relative wear resistance was determined from measurements of mass wear for the materials under study. The condition of the surface of the materials under wear test was analysed.

Aspects of the mechanisms of smoke generation by burning materials

NASA Technical Reports Server (NTRS)

Bankston, C. P.; Zinn, B. T.; Browner, R. F.; Powell, E. A.

1981-01-01

An investigation of smoke generation during the burning of natural and synthetic solid materials (relevant to fire safety problems), under simulated fire conditions, is presented. Smoke formation mechanisms, including flaming and nonflaming combustion, are reviewed, and the complex physical, chemical, and electrical processes, important in smoke particulate production, are identified. With reference to the smoke formation mechanisms, measured experimental data are discussed, and include effects of ventilation gas temperature, dependence on material composition, and chemical analysis of smoke particulates. Significant differences in smoke characteristics are observed between flaming and nonflaming conditions, which is attributed to specific differences in controlling mechanisms and resultant ways leading to particulate formation. The effects of polymer substrate properties and effects of additives for a given substrate on smoke properties are also discussed in terms of basic processes. It is shown that many of the measured trends can be interpreted by considering postulated mechanisms of particulate formation.

Development of the QA/QC Procedures for a Neutron Interrogation System

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

Obhodas, Jasmina; Sudac, Davorin; Valkovic, Vladivoj

In order to perform QA/QC procedures for a system dedicated to the neutron interrogation of objects for the presence of threat materials one needs to perform measurements of reference materials (RM) having the same (or similar) atomic ratios as real materials. It is well known that explosives, drugs, and various other benign materials, contain chemical elements such as hydrogen, oxygen, carbon and nitrogen in distinctly different quantities. For example, a high carbon-to-oxygen ratio (C/O) is characteristic of drugs. Explosives can be differentiated by measurement of both C/O and nitrogen-to-oxygen (N/O) ratios. The C/N ratio of the chemical warfare agents, coupledmore » with the measurement of elements such as fluorine and phosphorus, clearly differentiate them from the conventional explosives. Correlations between theoretical values and experimental results obtained in laboratory conditions for C/O and N/C ratios of simulants of hexogen (RDX), TNT, DLM2, TATP, cocaine, heroin, yperite, tetranitromethane, peroxide methylethyl-ketone, nitromethane and ethyleneglycol dinitrate are presented. (authors)« less

Experimental Study on Reaction Characteristics of PTFE/Ti/W Energetic Materials under Explosive Loading

PubMed Central

Li, Yan; Jiang, Chunlan; Wang, Zaicheng; Luo, Puguang

2016-01-01

Metal/fluoropolymer composites represent a new category of energetic structural materials that release energy through exothermic chemical reactions initiated under shock loading conditions. This paper describes an experiment designed to study the reaction characteristics of energetic materials with low porosity under explosive loading. Three PTFE (polytetrafluoroethylene)/Ti/W mixtures with different W contents are processed through pressing and sintering. An inert PTFE/W mixture without reactive Ti particles is also prepared to serve as a reference. Shock-induced chemical reactions are recorded by high-speed video through a narrow observation window. Related shock parameters are calculated based on experimental data, and differences in energy release are discussed. The results show that the reaction propagation of PTFE/Ti/W energetic materials with low porosity under explosive loading is not self-sustained. As propagation distance increases, the energy release gradually decreases. In addition, reaction failure distance in PTFE/Ti/W composites is inversely proportional to the W content. Porosity increased the failure distance due to higher shock temperature. PMID:28774056

Electroactive materials for organic electronics: preparation strategies, structural aspects and characterization techniques.

PubMed

Pron, Adam; Gawrys, Pawel; Zagorska, Malgorzata; Djurado, David; Demadrille, Renaud

2010-07-01

This critical review discusses specific chemical and physicochemical requirements which must be met for organic compounds to be considered as promising materials for applications in organic electronics. Although emphasis is put on molecules and macromolecules suitable for fabrication of field effect transistors (FETs), a large fraction of the discussed compounds can also be applied in other organic or hybrid (organic-inorganic) electronic devices such as photodiodes, light emitting diodes, photovoltaic cells, etc. It should be of interest to chemists, physicists, material scientists and electrical engineers working in the domain of organic electronics (423 references).

An Extension of Holographic Moiré to Micromechanics

NASA Astrophysics Data System (ADS)

Sciammarella, C. A.; Sciammarella, F. M.

The electronic Holographic Moiré is an ideal tool for micromechanics studies. It does not require a modification of the surface by the introduction of a reference grating. This is of particular advantage when dealing with materials such as solid propellant grains whose chemical nature and surface finish makes the application of a reference grating very difficult. Traditional electronic Holographic Moiré presents some difficult problems when large magnifications are needed and large rigid body motion takes place. This paper presents developments that solves these problems and extends the application of the technique to micromechanics.

Analysis of waste coal from the enterprises of Kemerovo region as raw materials for production of ceramic materials

NASA Astrophysics Data System (ADS)

Stolboushkin, A. Yu; Akst, D. V.; Fomina, O. A.; Ivanov, A. I.; Syromyasov, V. A.

2017-09-01

The analysis of waste coal from mining enterprises of Kemerovo region as raw materials for production of building ceramics is given. The results of studies of material, chemical and mineralogical compositions of waste coal from Abashevskaya processing plant (Novokuznetsk) are presented. It was established that the chemical composition of waste coal refers to aluminosilicate raw materials with a high content of alumina and coloring oxides, the residual carbon content in the wastes is 12-25 %. According to the granulometric composition the waste coal is basically a sandy-dusty fraction with a small amount of clay particles (1-3 %). Additional grinding of coal waste and the introduction of a clay additive in an amount of up to 30 % are recommended. The results of the study of the mineral composition of waste coal are presented. Clay minerals are represented in the descending order by hydromuscovite, montmorillonite and kaolinite, minerals-impurities consist of quartz, feldspar fine-dispersed carbonates. The results of the investigation of ceramic-technological properties of waste coal, which belong to the group of moderately plastic low-melting raw materials, are given. As a result of a comprehensive study it was been established that with chemical, granulometric and mineralogical compositions waste coal with the reduced residual carbon can be used in the production of ceramic bricks.

Screening-level models to estimate partition ratios of organic chemicals between polymeric materials, air and water.

PubMed

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

2016-06-15

Polymeric materials flowing through the technosphere are repositories of organic chemicals throughout their life cycle. Equilibrium partition ratios of organic chemicals between these materials and air (KMA) or water (KMW) are required for models of fate and transport, high-throughput exposure assessment and passive sampling. KMA and KMW have been measured for a growing number of chemical/material combinations, but significant data gaps still exist. We assembled a database of 363 KMA and 910 KMW measurements for 446 individual compounds and nearly 40 individual polymers and biopolymers, collected from 29 studies. We used the EPI Suite and ABSOLV software packages to estimate physicochemical properties of the compounds and we employed an empirical correlation based on Trouton's rule to adjust the measured KMA and KMW values to a standard reference temperature of 298 K. Then, we used a thermodynamic triangle with Henry's law constant to calculate a complete set of 1273 KMA and KMW values. Using simple linear regression, we developed a suite of single parameter linear free energy relationship (spLFER) models to estimate KMA from the EPI Suite-estimated octanol-air partition ratio (KOA) and KMW from the EPI Suite-estimated octanol-water (KOW) partition ratio. Similarly, using multiple linear regression, we developed a set of polyparameter linear free energy relationship (ppLFER) models to estimate KMA and KMW from ABSOLV-estimated Abraham solvation parameters. We explored the two LFER approaches to investigate (1) their performance in estimating partition ratios, and (2) uncertainties associated with treating all different polymers as a single "bulk" polymeric material compartment. The models we have developed are suitable for screening assessments of the tendency for organic chemicals to be emitted from materials, and for use in multimedia models of the fate of organic chemicals in the indoor environment. In screening applications we recommend that KMA and KMW be modeled as 0.06 ×KOA and 0.06 ×KOW respectively, with an uncertainty range of a factor of 15.

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 links to the same elemental reference form in a thermodynamic database will result in an inconsistency in the database. Thus, in constructing a database, it is important to establish a set of reliable links (generally resulting in a set of primary reference data) and then correct all data adopted subsequently for consistency with that set. Recommended values of key data have not been constant through history. We review some of this history through the lens of major compilations and other influential reports, and note a number of problem areas. Finally, we illustrate the concepts developed in this paper by applying them to some key species of geochemical interest, including liquid water; quartz and aqueous silica; and gibbsite, corundum, and the aqueous aluminum ion.

Soil and sediment sample analysis for the sequential determination of natural and anthropogenic radionuclides.

PubMed

Michel, H; Levent, D; Barci, V; Barci-Funel, G; Hurel, C

2008-02-15

A new sequential method for the determination of both natural (U, Th) and anthropogenic (Sr, Cs, Pu, Am) radionuclides has been developed for application to soil and sediment samples. The procedure was optimised using a reference sediment (IAEA-368) and reference soils (IAEA-375 and IAEA-326). Reference materials were first digested using acids (leaching), 'total' acids on hot plate, and acids in microwave in order to compare the different digestion technique. Then, the separation and purification were made by anion exchange resin and selective extraction chromatography: transuranic (TRU) and strontium (SR) resins. Natural and anthropogenic alpha radionuclides were separated by uranium and tetravalent actinide (UTEVA) resin, considering different acid elution medium. Finally, alpha and gamma semiconductor spectrometer and liquid scintillation spectrometer were used to measure radionuclide activities. The results obtained for strontium-90, cesium-137, thorium-232, uranium-238, plutonium-239+240 and americium-241 isotopes by the proposed method for the reference materials provided excellent agreement with the recommended values and good chemical recoveries. Plutonium isotopes in alpha spectrometry planchet deposits could be also analysed by ICPMS.

Near-edge X-ray refraction fine structure microscopy

DOE PAGES

Farmand, Maryam; Celestre, Richard; Denes, Peter; ...

2017-02-06

We demonstrate a method for obtaining increased spatial resolution and specificity in nanoscale chemical composition maps through the use of full refractive reference spectra in soft x-ray spectro-microscopy. Using soft x-ray ptychography, we measure both the absorption and refraction of x-rays through pristine reference materials as a function of photon energy and use these reference spectra as the basis for decomposing spatially resolved spectra from a heterogeneous sample, thereby quantifying the composition at high resolution. While conventional instruments are limited to absorption contrast, our novel refraction based method takes advantage of the strongly energy dependent scattering cross-section and can seemore » nearly five-fold improved spatial resolution on resonance.« less

Biological and environmental reference materials in CENAM.

PubMed

Arvizu-Torres, R; Perez-Castorena, A; Salas-Tellez, J A; Mitani-Nakanishi, Y

2001-06-01

Since 1994, when the NIST/NOAA Quality Assurance Program in Chemical Measurements was discussed in Queretaro, CENAM, the National Measurement Institute (NMI) of Mexico, has become involved in the development of reference materials. In the field of biological and environmental reference materials, in particular, the NORAMET collaboration program with NIST and NRC, and the North-American Environmental Cooperation signed among three free-trade treaty organizations, have greatly helped the development of the materials metrology program in the newly established CENAM. This paper describes some particularly significant efforts of CENAM in the development of biological and environmental reference materials, on the basis of inter-comparison studies organized with local and governmental environmental agencies of Mexico. In the field of water pollution CENAM has developed a practical proficiency testing (PT) scheme for field laboratories, as a part of registration by local government in the metropolitan area, according to the Mexican Ecological Regulation. The results from these eight PTs in the last 5 years have demonstrated that this scheme has helped ensure the reliability of analytical capability of more than 50 field laboratories in three states, Mexico, D.F., and the States of Mexico and Queretaro. Similar experience has been obtained for more than 70 service units of stack emission measurements in the three states in 1998 and 1999, as a result of the design of a PT scheme for reference gas mixtures. This PT scheme has been accomplished successfully by 30 analytical laboratories who provide monitoring services and perform research on toxic substances (Hg, methylmercury, PCB, etc.) in Mexico. To support these activities, reference samples have been produced through the NIST SRMs, and efforts have been made to increase CENAM's capability in the preparation of primary reference materials in spectrometric solutions and gas mixtures. Collaboration among NMIs has also successfully overcome the inability of CENAM to prepare biological tissue for mercury assessment and marine sediments for analysis of trace metals. The importance of international collaboration is stressed not only in the NORAMET region but also in the SIM, to provide help for each other and achieve mutual recognition among member countries of the region.

Hazardous materials: chemistry and safe handling aspects of flammable, toxic and radioactive materials. A course of study

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

Smith, M.W.

1983-01-01

The subject of this dissertation is a one semester, three credit course designed for students who have taken at least twelve credits college chemistry, and for high school teachers as a continuing education course. The need for such a course arises from the increased concern for safety in recent years and the introduction of many regulations of which the working chemist should be aware, notably those issued by the Occupational Safety and Health Administration. A few colleges have recently started to offer courses in laboratory safety to undergraduate and graduate chemistry students. Thus, there is a need for the developmentmore » of courses in which chemical safety is taught. This course is divided into three units: 1) flammable materials; 2) toxic materials; and 3) radioactive materials. Each unit is self contained and could be taught separately as a one credit course. The material necessary for lecture presentation is given in the text of this dissertation: there are about seven topics in each unit. The chemical properties of selected substances are emphasized. Examples of governmental regulations are given, and there are sample examination questions for each unit and homework assignments that require the use of reference sources. Laboratory exercises are included to enable students to gain experience in the safe handling of hazardous chemicals and of some equipment and instruments used to analyze and study flammable, toxic and radioactive materials.« less

Chemicals and ruminant feed from lignocelluloses by the steaming-extraction process

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

Puls, J.; Ayla, C.; Dietrichs, H.H.

1983-01-01

Steaming is applicable to lignocelluloses with lower lignin content such as hardwoods and most agricultural residues. The cellulose of steamed fiber materials becomes accessible for enzymatic degradation in spite of the presence of lignin. The hemicelluloses become water soluble. The lignin can be extracted with alkaline or organic solvents. Without further treatment, the steamed material can be used as highly digestible ruminant feed. Steam treatment, however, is most effective after separation of the hemicelluloses. Depending on the starting material, 10-25% hemicelluloses with xylose contents up to 80% can be recovered by aqueous extraction of the fiber material. The xylans andmore » xylan fragments can be used as substrates for chemical, biochemical, or microbial processes. The residual fiber material consists only of cellulose and lignin in highly accessible form for rumen bacteria and fungal cellulases. They are digested by ruminants up to 70-80% and degraded by cellulases without further treatment to 50-60%. In a second extraction step, the lignin can be removed from the fiber material. After controlled steaming at 190/sup 0/C with an optimum yield of hemicellulose, two-thirds of the original lignin present in the starting material can be extracted with dilute alkali. A relatively mild steaming with additional alkaline extraction of lignin is recommended when total utilization of the components including the hemicelluloses is desired. The extracted lignin can be used as a chemical feedstock. 16 references, 6 figures, 3 tables.« less

Homogeneity of the geochemical reference material BRP-1 (paraná basin basalt) and assessment of minimum mass

USGS Publications Warehouse

Cotta, Aloisio J. B.; Enzweiler, Jacinta; Wilson, Stephen A.; Perez, Carlos A.; Nardy, Antonio J. R.; Larizzatti, Joao H.

2007-01-01

Reference materials (RM) are required for quantitative analyses and their successful use is associated with the degree of homogeneity, and the traceability and confidence limits of the values established by characterisation. During the production of a RM, the chemical characterisation can only commence after it has been demonstrated that the material has the required level of homogeneity. Here we describe the preparation of BRP-1, a proposed geochemical reference material, and the results of the tests to evaluate its degree of homogeneity between and within bottles. BRP-1 is the first of two geochemical RM being produced by Brazilian institutions in collaboration with the United States Geological Survey (USGS) and the International Association of Geoanalysts (IAG). Two test portions of twenty bottles of BRP-1 were analysed by wavelength dispersive-XRF spectrometry and major, minor and eighteen trace elements were determined. The results show that for most of the investigated elements, the units of BRP-1 were homogeneous at conditions approximately three times more rigorous than those strived for by the test of “sufficient homogeneity”. Furthermore, the within bottle homogeneity of BRP-1 was evaluated using small beam (1 mm2) synchrotron radiation XRF spectrometry and, for comparison, the USGS reference materials BCR-2 and GSP-2 were also evaluated. From our data, it has been possible to assign representative minimum masses for some major constituents (1 mg) and for some trace elements (1-13 mg), except Zr in GSP-2, for which test portions of 74 mg are recommended.

Health hazards associated with the use of di-(2-ethylhexyl) phthalate (commonly referred to as DOP) in HEPA filter test

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

NONE

1995-01-01

Di-(2-ethylhexyl) phthalate (DEHP), commonly referred to as di-octyl phthalate, is an important production chemical in the US. In addition to its major use as an additive in plastics, DEHP is widely used to evaluate the effectiveness of high efficiency particulate air (HEPA) filters. Historically, DEHP was also used in quantitative fit testing for respirators. Evaluations of this compound a decade ago showed that it can induce hepatocellular carcinomas in laboratory animals. Although most Department of Energy (DOE) facilities have since discontinued using DEHP in respirator fit testing, DEHP continues to be used for evaluating HEPA filters. This report summarizes availablemore » information on the toxicity, mutagenicity, carcinogenicity, and other hazards and problems posed by DEHP, specifically with reference to HEPA filter testing. Information on work practice improvements as well as the availability and suitability of DEHP substitutes are also presented. This material should assist the DOE in the safe use of this material.« less

Synthetic diamond devices for radio-oncology applications

NASA Astrophysics Data System (ADS)

Descamps, C.; Tromson, D.; Mer, C.; Nesládek, M.; Bergonzo, P.; Benabdesselam, M.

2006-09-01

Diamond exhibits a range of outstanding properties that make it a material of interest for radiation detection and particularly in the field of dosimetry applications. In fact, its crystallographic structure makes it chemically inert and radiation hard. Moreover, its atomic number (carbon Z = 6) close to the equivalent effective atomic number of human soft tissues (Z = 7.4) and of water (reference material in radiotherapy) enables a direct evaluation of the deposited dose without requiring corrections for material nature or energy. Finally, as a bio-compatible material, it can be sterilised, and it is non-toxic thus giving strong advantages for medical uses. Natural diamonds are expensive, rare and their use implies a severe gem selection to fabricate reproducible and reliable devices. The emergence of synthetic samples from the chemical vapour deposition (CVD) technique offers new possibilities in the fabrication of ionisation chamber for the particular field of radiotherapy. Previous studies have shown that defect levels present in material clearly influence the device response under irradiation. Therefore, in order to optimise dosimetric characteristics needed in radiotherapy applications, various low and precisely nitrogen concentrations were incorporated in the material during growth. Influence of these incorporations on ionisation chamber response under medical cobalt irradiator is presented in this paper.

Development of the Quality Assurance/Quality Control Procedures for a Neutron Interrogation System

NASA Astrophysics Data System (ADS)

Obhođaš, Jasmina; Sudac, Davorin; Valković, Vladivoj

2016-06-01

In order to perform Quality Assurance/Quality Control (QA/QC) procedures for a system dedicated to the neutron interrogation of objects for the presence of threat materials one needs to perform measurements of reference materials (RM) i.e. simulants having the same (or similar) atomic ratios as real materials. It is well known that explosives, drugs, and various other benign materials, contain chemical elements such as hydrogen, oxygen, carbon and nitrogen in distinctly different quantities. For example, a high carbon-to-oxygen ratio (C/O) is characteristic of drugs. Explosives can be differentiated by measurement of both (C/O) and nitrogen-to-oxygen (N/O) ratios. The C/N ratio of the chemical warfare agents, coupled with the measurement of elements such as fluorine and phosphorus, clearly differentiate them from the conventional explosives. Here we present the RM preparation, calibration procedure and correlations attained between theoretical values and experimentally obtained results in laboratory conditions for C/O and N/C ratios of prepared hexogen (RDX), TNT, DLM2, TATP, cocaine, heroin, yperite, tetranitromethane, peroxide methylethylketone, nitromethane and ethyleneglycol dinitrate simulants. We have shown that analyses of the gamma ray spectra by using simple unfolding model developed for this purpose gave a nice agreement with the chemical formula of created simulants, thus the calibration quality was successfully tested.

Health effects of drinking water disinfectants and disinfection by-products

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

Condie, L.W.; Bercz, J.P.

This paper summarizes toxicological studies conducted with drinking water disinfectants. Toxicological effects, which are associated with the disinfectants themselves as well as with the by-products formed when disinfectants react with organic material present in water, are considered. The health impact of chemical reactions occurring between residual disinfectants and nutrients in the gastrointestinal tract is also discussed. 40 references, 5 tables.

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2014 CFR

2014-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2012 CFR

2012-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2013 CFR

2013-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

Chemical Physics of Charge Mechanisms in Nonmetallic Spacecraft Materials.

DTIC Science & Technology

1979-05-01

techniques may not provide data truly representative of actual in-orbit space - craft charging effects . The results of the discharge characterization...phenomena, commonly referred to collectively as space - !. craft charging effects , can produce undesirable and sometimes serious prob- lems with the...lifetime of future space systems requires a practical understanding of spacecraft charging phenomena and their effects . The laboratory program

Teaching Aids and Work with Models in E-Learning Environments

ERIC Educational Resources Information Center

Jancaríková, Katerina; Jancarík, Antonín

2017-01-01

PISA study has defined several key areas to be paid attention to by teachers. One of these areas is work with models. The term model can be understood very broadly, it can refer to a drawing of a chemical reaction, a plastic model, a permanent mount (taxidermy) to advanced 3D projections. Teachers are no longer confined to teaching materials and…

40 CFR Table 1 to Subpart Uuuu of... - Emission Limits and Work Practice Standards

Code of Federal Regulations, 2011 CFR

2011-07-01

... least once per month as specified in § 63.148(f)(2)). 12. heat exchanger system that cools process equipment or materials in the process unit each existing or new affected source monitor and repair the heat exchanger system according to § 63.104(a) through (e), except that references to “chemical manufacturing...

The Joint Committee for Traceability in Laboratory Medicine (JCTLM) - its history and operation.

PubMed

Jones, Graham R D; Jackson, Craig

2016-01-30

The Joint Committee for Traceability in Laboratory Medicine (JCTLM) was formed to bring together the sciences of metrology, laboratory medicine and laboratory quality management. The aim of this collaboration is to support worldwide comparability and equivalence of measurement results in clinical laboratories for the purpose of improving healthcare. The JCTLM has its origins in the activities of international metrology treaty organizations, professional societies and federations devoted to improving measurement quality in physical, chemical and medical sciences. The three founding organizations, the International Committee for Weights and Measures (CIPM), the International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) and the International Laboratory Accreditation Cooperation (ILAC) are the leaders of this activity. The main service of the JCTLM is a web-based database with a list of reference materials, reference methods and reference measurement services meeting appropriate international standards. This database allows manufacturers to select references for assay traceability and provides support for suppliers of these services. As of mid 2015 the database lists 295 reference materials for 162 analytes, 170 reference measurement procedures for 79 analytes and 130 reference measurement services for 39 analytes. There remains a need for the development and implementation of metrological traceability in many areas of laboratory medicine and the JCTLM will continue to promote these activities into the future. Copyright © 2015 Elsevier B.V. All rights reserved.

Material selection in a sustainable manufacturing practice of a badminton racket frame using Elimination and Choice Expressing Reality (ELECTRE) Method

NASA Astrophysics Data System (ADS)

Firdhaus Che Hassan, Muhammad; Rosli, Mohd Uzair Mohd; Redzuan, Muhammad Afiq Mohd

2018-05-01

Badminton is one of the leading sports in the world. It has its own set of rules on the equipments used and general game play. One of the main equipment used is the badminton racket. Each sections of a badminton racket have its own design requirements and one of it is the racket’s material selection. Therefore, material selection is very important to improve the usage of a badminton racket. This study describes the use of the Elimination and Choice Expressing Reality (ELECTRE) method in the material selection of a badminton racket frame with reference to the sustainable manufacturing practice of the frame. By categorizing the materials of the badminton racket frame according to mechanical, physical, chemical and environmental properties, and further detailed sub criteria were set according to the usage of these frames, the ELECTRE I method was used to determine the dominant material. Out of the six materials usually used in the manufacturing of a badminton racket frame, carbon fibre was the dominant material selected from three out of the four properties which are the mechanical, chemical and most importantly the environmental properties, as to comply with the sustainable manufacturing practice of these frames.

Nanowires, nanostructures and devices fabricated therefrom

DOEpatents

Majumdar, Arun; Shakouri, Ali; Sands, Timothy D.; Yang, Peidong; Mao, Samuel S.; Russo, Richard E.; Feick, Henning; Weber, Eicke R.; Kind, Hannes; Huang, Michael; Yan, Haoquan; Wu, Yiying; Fan, Rong

2005-04-19

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

A fundamental parameters approach to calibration of the Mars Exploration Rover Alpha Particle X-ray Spectrometer

NASA Astrophysics Data System (ADS)

Campbell, J. L.; Lee, M.; Jones, B. N.; Andrushenko, S. M.; Holmes, N. G.; Maxwell, J. A.; Taylor, S. M.

2009-04-01

The detection sensitivities of the Alpha Particle X-ray Spectrometer (APXS) instruments on the Mars Exploration Rovers for a wide range of elements were experimentally determined in 2002 using spectra of geochemical reference materials. A flight spare instrument was similarly calibrated, and the calibration exercise was then continued for this unit with an extended set of geochemical reference materials together with pure elements and simple chemical compounds. The flight spare instrument data are examined in detail here using a newly developed fundamental parameters approach which takes precise account of all the physics inherent in the two X-ray generation techniques involved, namely, X-ray fluorescence and particle-induced X-ray emission. The objectives are to characterize the instrument as fully as possible, to test this new approach, and to determine the accuracy of calibration for major, minor, and trace elements. For some of the lightest elements the resulting calibration exhibits a dependence upon the mineral assemblage of the geological reference material; explanations are suggested for these observations. The results will assist in designing the overall calibration approach for the APXS on the Mars Science Laboratory mission.

Chemical mutagenesis in laboratory mammals. A bibliography on the effects of chemicals on germ cells

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

Von Halle, E.S.

1973-09-01

A list of references is presented on chemical mutagenesis in laboratory mammals. The references relate primarily to chemical effects on germ cells. Only references to the use of chemicals or chemicals and radiation are included. The publication includes a citation index, agent index, chemical abstracts registry number index, organism index, KWIC index, author index, and first author index. (ERB)

Identification of candidate reference chemicals for in vitro steroidogenesis assays.

PubMed

Pinto, Caroline Lucia; Markey, Kristan; Dix, David; Browne, Patience

2018-03-01

The Endocrine Disruptor Screening Program (EDSP) is transitioning from traditional testing methods to integrating ToxCast/Tox21 in vitro high-throughput screening assays for identifying chemicals with endocrine bioactivity. The ToxCast high-throughput H295R steroidogenesis assay may potentially replace the low-throughput assays currently used in the EDSP Tier 1 battery to detect chemicals that alter the synthesis of androgens and estrogens. Herein, we describe an approach for identifying in vitro candidate reference chemicals that affect the production of androgens and estrogens in models of steroidogenesis. Candidate reference chemicals were identified from a review of H295R and gonad-derived in vitro assays used in methods validation and published in the scientific literature. A total of 29 chemicals affecting androgen and estrogen levels satisfied all criteria for positive reference chemicals, while an additional set of 21 and 15 chemicals partially fulfilled criteria for positive reference chemicals for androgens and estrogens, respectively. The identified chemicals included pesticides, pharmaceuticals, industrial and naturally-occurring chemicals with the capability to increase or decrease the levels of the sex hormones in vitro. Additionally, 14 and 15 compounds were identified as potential negative reference chemicals for effects on androgens and estrogens, respectively. These candidate reference chemicals will be informative for performance-based validation of in vitro steroidogenesis models. Copyright © 2017. Published by Elsevier Ltd.

Technology assessment--who is getting stuck, anyway?

PubMed

Bayne, C G

1997-10-01

Some 13% to 62% of all injuries reported to hospital occupational health workers are traceable to phlebotomy procedures. However, the selection of a needleless system is complex. The informed manager seeks answers to the following questions: (1) Do needleless systems reduce the risk of seroconversion to bloodborne pathogens? (Answer yes.) (2) Does the use of a needleless system affect patients' risk of catheter sepsis? (Answer no.) and (3) What about chemical compatibility with the newer materials used in needleless systems? (New variables require more studies.) The author lists references, manufacturers and some of the chemicals to which some manufacturers have exposed their devices.

Roles of chemical metrology in electronics industry and associated environment in Korea: a tutorial.

PubMed

Kang, Namgoo; Joong Kim, Kyung; Seog Kim, Jin; Hae Lee, Joung

2015-03-01

Chemical metrology is gaining importance in electronics industry that manufactures semiconductors, electronic displays, and microelectronics. Extensive and growing needs from this industry have raised the significance of accurate measurements of the amount of substances and material properties. For the first time, this paper presents information on how chemical metrology is being applied to meet a variety of needs in the aspects of quality control of electronics products and environmental regulations closely associated with electronics industry. For a better understanding of the roles of the chemical metrology within electronics industry, the recent research activities and results in chemical metrology are presented using typical examples in Korea where electronic industry is leading a national economy. Particular attention is paid to the applications of chemical metrology for advancing emerging electronics technology developments. Such examples are a novel technique for the accurate quantification of gas composition at nano-liter levels within a MEMS package, the surface chemical analysis of a semiconductor device. Typical metrological tools are also presented for the development of certified reference materials for fluorinated greenhouse gases and proficiency testing schemes for heavy metals and chlorinated toxic gas in order to cope properly with environmental issues within electronics industry. In addition, a recent technique is presented for the accurate measurement of the destruction and removal efficiency of a typical greenhouse gas scrubber. Copyright © 2014 Elsevier B.V. All rights reserved.

Solar-to-chemical and solar-to-fuel production from CO2 by metabolically engineered microorganisms.

PubMed

Woo, Han Min

2017-06-01

Recent development of carbon capture utilization (CCU) for reduction of greenhouse gas emission are reviewed. In the case of CO 2 utilization, I describe development of solar-to-chemical and solar-to-fuel technology that refers to the use of solar energy to convert CO 2 to desired chemicals and fuels. Photoautotrophic cyanobacterial platforms have been extensively developed on this principle, producing a diverse range of alcohols, organic acids, and isoprenoids directly from CO 2 . Recent breakthroughs in the metabolic engineering of cyanobacteria were reviewed. In addition, adoption of the light harvesting mechanisms from nature, photovoltaics-derived water splitting technologies have recently been integrated with microbial biotechnology to produce desired chemicals. Studies on the integration of electrode material with next-generation microbes are showcased for alternative solar-to-chemical and solar-to-fuel platforms. Copyright © 2016 Elsevier Ltd. All rights reserved.

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 two or more inconsistent links to the same elemental reference form in a thermodynamic database will result in an inconsistency in the database. Thus, in constructing a database, it is important to establish a set of reliable links (generally resulting in a set of primary reference data) and then correct all data adopted subsequently for consistency with that set. Recommended values of key data have not been constant through history. We review some of this history through the lens of major compilations and other influential reports, and note a number of problem areas. Finally, we illustrate the concepts developed in this paper by applying them to some key species of geochemical interest, including liquid water; quartz and aqueous silica; and gibbsite, corundum, and the aqueous aluminum ion.« less

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 two or more inconsistent links to the same elemental reference form in a thermodynamic database will result in an inconsistency in the database. Thus, in constructing a database, it is important to establish a set of reliable links (generally resulting in a set of primary reference data) and then correct all data adopted subsequently for consistency with that set. Recommended values of key data have not been constant through history. We review some of this history through the lens of major compilations and other influential reports, and note a number of problem areas. Finally, we illustrate the concepts developed in this paper by applying them to some key species of geochemical interest, including liquid water; quartz and aqueous silica; and gibbsite, corundum, and the aqueous aluminum ion.« less

Organic electronics with polymer dielectrics on plastic substrates fabricated via transfer printing

NASA Astrophysics Data System (ADS)

Hines, Daniel R.

Printing methods are fast becoming important processing techniques for the fabrication of flexible electronics. Some goals for flexible electronics are to produce cheap, lightweight, disposable radio frequency identification (RFID) tags, very large flexible displays that can be produced in a roll-to-roll process and wearable electronics for both the clothing and medical industries. Such applications will require fabrication processes for the assembly of dissimilar materials onto a common substrate in ways that are compatible with organic and polymeric materials as well as traditional solid-state electronic materials. A transfer printing method has been developed with these goals and application in mind. This printing method relies primarily on differential adhesion where no chemical processing is performed on the device substrate. It is compatible with a wide variety of materials with each component printed in exactly the same way, thus avoiding any mixed processing steps on the device substrate. The adhesion requirements of one material printed onto a second are studied by measuring the surface energy of both materials and by surface treatments such as plasma exposure or the application of self-assembled monolayers (SAM). Transfer printing has been developed within the context of fabricating organic electronics onto plastic substrates because these materials introduce unique opportunities associated with processing conditions not typically required for traditional semiconducting materials. Compared to silicon, organic semiconductors are soft materials that require low temperature processing and are extremely sensitive to chemical processing and environmental contamination. The transfer printing process has been developed for the important and commonly used organic semiconducting materials, pentacene (Pn) and poly(3-hexylthiophene) (P3HT). A three-step printing process has been developed by which these materials are printed onto an electrode subassembly consisting of previously printed electrodes separated by a polymer dielectric layer all on a plastic substrate. These bottom contact, flexible organic thin-film transistors (OTFT) have been compared to unprinted (reference) devices consisting of top contact electrodes and a silicon dioxide dielectric layer on a silicon substrate. Printed Pn and P3HT TFTs have been shown to out-perform the reference devices. This enhancement has been attributed to an annealing under pressure of the organic semiconducting material.

Assessment of exposures and potential risks to the US adult population from wear (attrition and abrasion) of gold and ceramic dental restorations.

PubMed

Richardson, G Mark; Clemow, Scott R; Peters, Rachel E; James, Kyle J; Siciliano, Steven D

2016-01-01

Little has been published on the chemical exposures and risks of dental restorative materials other than from dental amalgam and composite resins. Here we provide the first exposure and risk assessment for gold (Au) alloy and ceramic restorative materials. Based on the 2001-2004 US National Health and Nutrition Examination Survey (NHANES), we assessed the exposure of US adults to the components of Au alloy and ceramic dental restorations owing to dental material wear. Silver (Ag) is the most problematic component of Au alloy restorations, owing to a combination of toxicity and proportional composition. It was estimated that adults could possess an average of four tooth surfaces restored with Au alloy before exceeding, on average, the reference exposure level (REL) for Ag. Lithium (Li) is the most problematic component of dental ceramics. It was estimated that adults could possess an average of 15 tooth surfaces restored with ceramics before exceeding the REL for Li. Relative risks of chemical exposures from dental materials decrease in the following order: Amalgam>Au alloys>ceramics>composite resins.

A quantitative in vitro assay for the evaluation of phototoxic potential of topically applied materials.

PubMed

Tenenbaum, S; DiNardo, J; Morris, W E; Wolf, B A; Schnetzinger, R W

1984-10-01

A quantitative in vitro method for phototoxic evaluation of chemicals has been developed and validated. The assay uses Saccharomyces cerevisiae, seeded in an agar overlay on top of a plate count agar base. 8-Methoxy psoralen is used as a reference standard against which materials are measured. Activity is quantified by cytotoxicity measured as zones of inhibition. Several known phototoxins (heliotropine, lyral, phantolid, and bergamot oil) and photoallergens (6-methyl coumarin and musk ambrette) are used to validate the assay. An excellent correlation is observed between in vivo studies employing Hartley albino guinea pigs and the in vitro assay for several fragrance raw materials and other chemicals. The in vitro assay exhibits a greater sensitivity from 2-500 fold. For three fragrance oils, the in vitro assay detects low levels of photobiological activity while the in vivo assay is negative. Although the in vitro assay does not discriminate between phototoxins and photoallergens, it can be used for screening of raw materials so that reduction in animal usage can be achieved while maintaining the protection of the consumer.

Synthesis, Characterization and Decomposition Studies of Tris(N,N-dibenzyldithiocarbamato) Indium(III): Chemical Spray Deposition of Polycrystalline CuInS2 on Copper Films

NASA Technical Reports Server (NTRS)

Hehemann, David G.; Lau, J. Eva; Harris, Jerry D.; Hoops, Michael D.; Duffy, Norman V.; Fanwick, Philip E.; Khan, Osman; Jin, Michael H.-C.; Hepp, Aloysius F.

2005-01-01

Tris(bis(phenylmethyl)carbamodithioato-S,S ), commonly referred to as tris(N,Ndibenzyldithiocarbamato) indium(III), In(S2CNBz2)3, was synthesized and characterized by single crystal X-ray crystallography. The compound crystallizes in the triclinic space group P1 bar with two molecules per unit cell. The material was further characterized using a novel analytical system employing the combined powers of thermogravimetric analysis, gas chromatography/mass spectrometry and Fourier-Transform infrared spectroscopy to investigate its potential use as a precursor for the chemical vapor deposition (CVD) of thin film materials for photovoltaic applications. Upon heating, the material thermally decomposes to release CS2 and benzyl moieties in to the gas phase, resulting in bulk In2S3. Preliminary spray CVD experiments indicate that In(S2CNBz2)3 decomposed on a Cu substrate reacts to produce stoichiometric CuInS2 films.

Determination of polychlorinated biphenyl congeners and chlorinated pesticides in a fish tissue standard reference material.

PubMed

Poster, Dianne L; Kucklick, John R; Schantz, Michele M; Porter, Barbara J; Leigh, Stefan D; Wise, Stephen A

2003-01-01

The concentrations of a wide range of polychlorinated biphenyl congeners (PCBs) and chlorinated pesticides in a fish tissue Standard Reference Material (SRM) have been determined using multiple methods of analysis. This material, SRM 1946, Lake Superior Fish Tissue, was recently issued by the National Institute of Standards and Technology (NIST) and complements a suite of marine environmental natural-matrix SRMs that are currently available from NIST for the determination of organic contaminants such as aliphatic hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), PCBs, and chlorinated pesticides. SRM 1946 is a fresh tissue homogenate (frozen) prepared from filleted adult lake trout (Salvelinus namaycush namaycush) collected from the Apostle Islands region of Lake Superior. SRM 1946 has certified and reference concentrations for PCB congeners, including the three non- ortho PCB congeners, and chlorinated pesticides. Certified concentrations are available for 30 PCB congeners and 15 chlorinated pesticides. Reference concentrations are available for 12 PCB congeners and 2 chlorinated pesticides. In addition, SRM 1946 is characterized for additional chemical constituents and properties: fatty acids, extractable fat, methylmercury, total mercury, selected trace elements, proximates, and caloric content. The characterization of chlorinated compounds is described in this paper with an emphasis on the approach used for the certification of the concentrations of PCB congeners and chlorinated pesticides. The PCB congener and chlorinated pesticide data are also compared to concentrations in other marine natural-matrix reference materials available from NIST (fish oil, mussel tissue, whale blubber, and a second fresh frozen fish tissue homogenate prepared from filleted adult lake trout collected from Lake Michigan) and from other organizations such as the National Research Council Canada (ground whole carp), the International Atomic Energy Agency (fish homogenate), and the European Commission Joint Research Centre [fish oils (cod and mackerel) and mussel tissue].

δ15N measurement of organic and inorganic substances by EA-IRMS: a speciation-dependent procedure.

PubMed

Gentile, Natacha; Rossi, Michel J; Delémont, Olivier; Siegwolf, Rolf T W

2013-01-01

Little attention has been paid so far to the influence of the chemical nature of the substance when measuring δ(15)N by elemental analysis (EA)-isotope ratio mass spectrometry (IRMS). Although the bulk nitrogen isotope analysis of organic material is not to be questioned, literature from different disciplines using IRMS provides hints that the quantitative conversion of nitrate into nitrogen presents difficulties. We observed abnormal series of δ(15)N values of laboratory standards and nitrates. These unexpected results were shown to be related to the tailing of the nitrogen peak of nitrate-containing compounds. A series of experiments were set up to investigate the cause of this phenomenon, using ammonium nitrate (NH(4)NO(3)) and potassium nitrate (KNO(3)) samples, two organic laboratory standards as well as the international secondary reference materials IAEA-N1, IAEA-N2-two ammonium sulphates [(NH(4))(2)SO(4)]-and IAEA-NO-3, a potassium nitrate. In experiment 1, we used graphite and vanadium pentoxide (V(2)O(5)) as additives to observe if they could enhance the decomposition (combustion) of nitrates. In experiment 2, we tested another elemental analyser configuration including an additional section of reduced copper in order to see whether or not the tailing could originate from an incomplete reduction process. Finally, we modified several parameters of the method and observed their influence on the peak shape, δ(15)N value and nitrogen content in weight percent of nitrogen of the target substances. We found the best results using mere thermal decomposition in helium, under exclusion of any oxygen. We show that the analytical procedure used for organic samples should not be used for nitrates because of their different chemical nature. We present the best performance given one set of sample introduction parameters for the analysis of nitrates, as well as for the ammonium sulphate IAEA-N1 and IAEA-N2 reference materials. We discuss these results considering the thermochemistry of the substances and the analytical technique itself. The results emphasise the difference in chemical nature of inorganic and organic samples, which necessarily involves distinct thermochemistry when analysed by EA-IRMS. Therefore, they should not be processed using the same analytical procedure. This clearly impacts on the way international secondary reference materials should be used for the calibration of organic laboratory standards.

Electrochemical research in chemical hydrogen storage materials: Sodium borohydride and organotin hydrides

NASA Astrophysics Data System (ADS)

McLafferty, Jason

Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from "spent fuel," i.e., the material remaining after discharge of hydrogen. In this thesis, some research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not described in the previous literature for electrochemical reduction of spent fuels, have been attempted. A quantitative analytical method for measuring the concentration of sodium borohydride in alkaline aqueous solution has been developed as part of this work and is described herein. Finally, findings from stability tests for sodium borohydride in aqueous solutions of several different compositions are reported. For aminoborane, other research institutes have developed regeneration schemes involving tributyltin hydride. In this thesis, electrochemical reduction experiments attempting to regenerate tributyltin hydride from tributyltin chloride (a representative by-product of the regeneration scheme) are described. These experiments were performed in the non-aqueous solvents acetonitrile and 1,2-dimethoxyethane. A non-aqueous reference electrode for electrolysis experiments in acetonitrile was developed and is described.

Assessment of the geoavailability of trace elements from minerals in mine wastes: analytical techniques and assessment of selected copper minerals

USGS Publications Warehouse

Driscoll, Rhonda; Hageman, Phillip L.; Benzel, William M.; Diehl, Sharon F.; Adams, David T.; Morman, Suzette; Choate, LaDonna M.

2012-01-01

In this study, four randomly selected copper-bearing minerals were examined—azurite, malachite, bornite, and chalcopyrite. The objectives were to examine and enumerate the crystalline and chemical properties of each of the minerals, to determine which, if any, of the Cu-bearing minerals might adversely affect systems biota, and to provide a multi-procedure reference. Laboratory work included use of computational software for quantifying crystalline and amorphous material and optical and electron imaging instruments to model and project crystalline structures. Chemical weathering, human fluid, and enzyme simulation studies were also conducted. The analyses were conducted systematically: X-ray diffraction and microanalytical studies followed by a series of chemical, bio-leaching, and toxicity experiments.

Actuating materials. Voxelated liquid crystal elastomers.

PubMed

Ware, Taylor H; McConney, Michael E; Wie, Jeong Jae; Tondiglia, Vincent P; White, Timothy J

2015-02-27

Dynamic control of shape can bring multifunctionality to devices. Soft materials capable of programmable shape change require localized control of the magnitude and directionality of a mechanical response. We report the preparation of soft, ordered materials referred to as liquid crystal elastomers. The direction of molecular order, known as the director, is written within local volume elements (voxels) as small as 0.0005 cubic millimeters. Locally, the director controls the inherent mechanical response (55% strain) within the material. In monoliths with spatially patterned director, thermal or chemical stimuli transform flat sheets into three-dimensional objects through controlled bending and stretching. The programmable mechanical response of these materials could yield monolithic multifunctional devices or serve as reconfigurable substrates for flexible devices in aerospace, medicine, or consumer goods. Copyright © 2015, American Association for the Advancement of Science.

High-purity silicon for solar cell applications

NASA Technical Reports Server (NTRS)

Dosaj, V. D.; Hunt, L. P.; Schei, A.

1978-01-01

The article discusses the production of solar cells from high-purity silicon. The process consists of reducing the level of impurities in the raw materials, preventing material contamination before and after entering the furnace, and performing orders-of-magnitude reduction of metal impurity concentrations. The high-purity raw materials are considered with reference to carbon reductants, silica, and graphite electrodes. Attention is also given to smelting experiments used to demonstrate, in an experimental-scale furnace, the production of high-purity SoG-Si. It is found that high-purity silicon may be produced from high-purity quartz and chemically purified charcoal in a 50-kVA arc furnace. The major contamination source is shown to be impurities from the carbon reducing materials.

Properties of PMR Polyimides Improved by Preparation of Polyhedral Oligomeric Silsesquioxane (POSS) Nanocomposites

NASA Technical Reports Server (NTRS)

Campbell, Sandi G.; Lee, Andre

2005-01-01

The field of hybrid organic-inorganic materials has grown drastically over the last several years. This interest stems from our ever-increasing ability to custom-build and control molecular structure at several length scales. This ability to control both the composition and structure of hybrid materials is sometimes broadly referred to as nanocomposite systems. One class of hybrid (organic-inorganic) nanostructured material is polyhedral oligomeric silsesquioxane (POSS), shown in the preceding diagram. The hybrid composition gives POSS materials dramatically enhanced properties relative to traditional hydrocarbons and inorganics. An important benefit of this technology is that it makes possible the formulations of nanostructured chemicals with excellent thermal and oxidative stability. This is largely due to the inorganic component.

Reference-based optical characterization of glass-ceramic converter for high-power white LEDs

NASA Astrophysics Data System (ADS)

Engel, A.; Letz, M.; Zachau, T.; Pawlowski, E.; Seneschal-Merz, K.; Korb, T.; Enseling, D.; Hoppe, B.; Peuchert, U.; Hayden, J. S.

2007-02-01

Fluorescence techniques are known for their high sensitivity and are widely used as analytical tools and detection methods for product and process control, material sciences, environmental and bio-technical analysis, molecular genetics, cell biology, medical diagnostics and drug screening. According to DIN/ISO 17025 certified standards are used for fluorescence diagnostics having the drawback of giving relative values for fluorescence intensities only. Therefore reference materials for a quantitative characterization have to be related directly to the materials under investigation. In order to evaluate these figures it is necessary to calculate absolute numbers like absorption/excitation cross section and quantum yield. This can be done for different types of dopants in different materials like glass, glass ceramics, crystals or nano crystalline material embedded in polymer matrices. Here we consider a special type of glass ceramic with Ce doped YAG as the main crystalline phase. This material has been developed for the generation of white light realized by a blue 460 nm semiconductor transition using a yellow phosphor or converter material respectively. Our glass ceramic is a pure solid state solution for a yellow phosphor. For the production of such a kind of material a well controlled thermal treatment is employed to transfer the original glass into a glass ceramic with a specific crystalline phase. In our material Ce doped YAG crystallites of a size of several µm are embedded in a matrix of a residual glass. We present chemical, structural and spectroscopic properties of our material. Based on this we will discuss design options for white LED's with respect to heat management, scattering regime, reflection losses, chemical durability and stability against blue and UV radiation, which evolve from our recently developed material. In this paper we present first results on our approaches to evaluate quantum yield and light output. Used diagnostics are fluorescence (steady state, decay time) and absorption (remission, absorption) spectroscopy working in different temperature regimes (10 - 350 K) of the measured samples in order to get a microscopic view of the relevant physical processes and to prove the correctness of the obtained data.

B827 Chemical Synthhesis Project - Industrial Control System Integration - Statement of Work & Specification with Attachments 1-14

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

Wade, F. E.

The Chemical Synthesis Pilot Process at the Lawrence Livermore National Laboratory (LLNL) Site 300 827 Complex will be used to synthesize small quantities of material to support research and development. The project will modernize and increase current capabilities for chemical synthesis at LLNL. The primary objective of this project is the conversion of a non-automated hands-on process to a remoteoperation process, while providing enhanced batch process step control, stored recipe-specific parameter sets, process variable visibility, monitoring, alarm and warning handling, and comprehensive batch record data logging. This Statement of Work and Specification provides the industrial-grade process control requirements for themore » chemical synthesis batching control system, hereafter referred to as the “Control System” to be delivered by the System Integrator.« less

15 CFR 200.105 - Standard reference data.

Code of Federal Regulations, 2013 CFR

2013-01-01

..., PROCEDURES, AND FEES § 200.105 Standard reference data. Data on the physical and chemical properties of the... application in research, development, engineering design, and commerce. The Office of Standard Reference Data... Physical and Chemical Reference Data, published jointly with the American Chemical Society and the American...

15 CFR 200.105 - Standard reference data.

Code of Federal Regulations, 2014 CFR

2014-01-01

..., PROCEDURES, AND FEES § 200.105 Standard reference data. Data on the physical and chemical properties of the... application in research, development, engineering design, and commerce. The Office of Standard Reference Data... Physical and Chemical Reference Data, published jointly with the American Chemical Society and the American...

15 CFR 200.105 - Standard reference data.

Code of Federal Regulations, 2012 CFR

2012-01-01

..., PROCEDURES, AND FEES § 200.105 Standard reference data. Data on the physical and chemical properties of the... application in research, development, engineering design, and commerce. The Office of Standard Reference Data... Physical and Chemical Reference Data, published jointly with the American Chemical Society and the American...

15 CFR 200.105 - Standard reference data.

Code of Federal Regulations, 2011 CFR

2011-01-01

..., PROCEDURES, AND FEES § 200.105 Standard reference data. Data on the physical and chemical properties of the... application in research, development, engineering design, and commerce. The Office of Standard Reference Data... Physical and Chemical Reference Data, published jointly with the American Chemical Society and the American...

EDXRF as an alternative method for multielement analysis of tropical soils and sediments.

PubMed

Fernández, Zahily Herrero; Dos Santos Júnior, José Araújo; Dos Santos Amaral, Romilton; Alvarez, Juan Reinaldo Estevez; da Silva, Edvane Borges; De França, Elvis Joacir; Menezes, Rômulo Simões Cezar; de Farias, Emerson Emiliano Gualberto; do Nascimento Santos, Josineide Marques

2017-08-10

The quality assessment of tropical soils and sediments is still under discussion, with efforts being made on the part of governmental agencies to establish reference values. Energy dispersive X-ray fluorescence (EDXRF) is a potential analytical technique for quantifying diverse chemical elements in geological material without chemical treatment, primarily when it is performed at an appropriate metrological level. In this work, analytical curves were obtained by means of the analysis of geological reference materials (RMs), which allowed for the researchers to draw a comparison among the sources of analytical uncertainty. After having determined the quality assurance of the analytical procedure, the EDXRF method was applied to determine chemical elements in soils from the state of Pernambuco, Brazil. The regression coefficients of the analytical curves used to determine Al, Ca, Fe, K, Mg, Mn, Ni, Pb, Si, Sr, Ti, and Zn were higher than 0.99. The quality of the analytical procedure was demonstrated at a 95% confidence level, in which the estimated analytical uncertainties agreed with those from the RM's certificates of analysis. The analysis of diverse geological samples from Pernambuco indicated higher concentrations of Ni and Zn in sugarcane, with maximum values of 41 mg kg - 1 and 118 mg kg - 1 , respectively, and agricultural areas (41 mg kg - 1 and 127 mg kg - 1 , respectively). The trace element Sr was mainly enriched in urban soils with values of 400 mg kg - 1 . According to the results, the EDXRF method was successfully implemented, providing some chemical tracers for the quality assessment of tropical soils and sediments.

[Recent advance in solidification/stabilization technology for the remediation of heavy metals-contaminated soil].

PubMed

Hao, Han-zhou; Chen, Tong-bin; Jin, Meng-gui; Lei, Mei; Liu, Cheng-wu; Zu, Wen-pu; Huang, Li-mi

2011-03-01

Remediation of heavy metals-contaminated soil is still a difficulty and a hotspot of international research projects. At present, the technologies commonly adopted for the remediation of contaminated sites mainly include excavation, solidification/stabilization (S/S), soil washing, soil vapor extraction (SVE), thermal treatment, and bioremediation. Based on the S/S technical guidelines of Unite State Environmental Protection Agency (EPA) and United Kingdom Environment Agency (EA) and the domestic and foreign patents, this paper introduced the concepts of S/S and its development status at home and abroad, and discussed its future development directions. Solidification refers to a process that binds contaminated media with a reagent, changing the media's physical properties via increasing its compressive strength, decreasing its permeability, and encapsulating the contaminants to form a solid material. Stabilization refers to the process that involves a chemical reaction which reduces the leachability of a waste, chemically immobilizes the waste and reduces its solubility, making the waste become less harmful or less mobile. S/S technology includes cement solidification, lime pozzolanic solidification, plastic materials stabilization, vitrification, and regent-based stabilization. Stabilization (or immobilization) treatment processes convert contaminants to less mobile forms through chemical or thermal interactions. In stabilization technology, the aim of adding agents is to change the soil physical and chemical properties through pH control technology, redox potential technology, precipitation techniques, adsorption technology, and ion-exchange technology that change the existing forms of heavy metals in soil, and thus, reduce the heavy metals bioavailability and mobility. This review also discussed the S/S evaluation methods, highlighted the need to enhance S/S technology in the molecular bonding, soil polymers, and formulation of China's S/S technical guidelines.

Development of a standard reference material for Cr(vi) in contaminated soil

USGS Publications Warehouse

Nagourney, S.J.; Wilson, S.A.; Buckley, B.; Kingston, H.M.S.; Yang, S.-Y.; Long, S.E.

2008-01-01

Over the last several decades, considerable contamination by hexavalent chromium has resulted from the land disposal of Chromite Ore Processing Residue (COPR). COPR contains a number of hexavalent chromium-bearing compounds that were produced in high temperature industrial processes. Concern over the carcinogenic potential of this chromium species, and its environmental mobility, has resulted in efforts to remediate these waste sites. To provide support to analytical measurements of hexavalent chromium, a candidate National Institute of Standards and Technology (NIST) Standard Reference Material?? (SRM 2701), having a hexavalent chromium content of approximately 500 mg kg -1, has been developed using material collected from a waste site in Hudson County, New Jersey, USA. The collection, processing, preparation and preliminary physico-chemical characterization of the material are discussed. A two-phase multi-laboratory testing study was carried out to provide data on material homogeneity and to assess the stability of the material over the duration of the study. The study was designed to incorporate several United States Environmental Protection Agency (USEPA) determinative methods for hexavalent chromium, including Method 6800 which is based on speciated isotope dilution mass spectrometry (SIDMS), an approach which can account for chromium species inter-conversion during the extraction and measurement sequence. This journal is ?? The Royal Society of Chemistry 2008.

Methods of fabricating nanostructures and nanowires and devices fabricated therefrom

DOEpatents

Majumdar, Arun [Orinda, CA; Shakouri, Ali [Santa Cruz, CA; Sands, Timothy D [Moraga, CA; Yang, Peidong [Berkeley, CA; Mao, Samuel S [Berkeley, CA; Russo, Richard E [Walnut Creek, CA; Feick, Henning [Kensington, CA; Weber, Eicke R [Oakland, CA; Kind, Hannes [Schaffhausen, CH; Huang, Michael [Los Angeles, CA; Yan, Haoquan [Albany, CA; Wu, Yiying [Albany, CA; Fan, Rong [El Cerrito, CA

2009-08-04

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

Methods Of Fabricating Nanosturctures And Nanowires And Devices Fabricated Therefrom

DOEpatents

Majumdar, Arun; Shakouri, Ali; Sands, Timothy D.; Yang, Peidong; Mao, Samuel S.; Russo, Richard E.; Feick, Henning; Weber, Eicke R.; Kind, Hannes; Huang, Michael; Yan, Haoquan; Wu, Yiying; Fan, Rong

2006-02-07

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

Methods of fabricating nanostructures and nanowires and devices fabricated therefrom

DOEpatents

Majumdar, Arun; Shakouri, Ali; Sands, Timothy D.; Yang, Peidong; Mao, Samuel S.; Russo, Richard E.; Feick, Henning; Weber, Eicke R.; Kind, Hannes; Huang, Michael; Yan, Haoquan; Wu, Yiying; Fan, Rong

2010-11-16

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

Methods of fabricating nanostructures and nanowires and devices fabricated therefrom

DOEpatents

Majumdar, Arun; Shakouri, Ali; Sands, Timothy D.; Yang, Peidong; Mao, Samuel S.; Russo, Richard E.; Feick, Henning; Weber, Eicke R.; Kind, Hannes; Huang, Michael; Yan, Haoquan; Wu, Yiying; Fan, Rong

2018-01-30

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

Fourier Transform Infrared Absorption Spectroscopy for Quantitative Analysis of Gas Mixtures at Low Temperatures for Homeland Security Applications.

PubMed

Meier, D C; Benkstein, K D; Hurst, W S; Chu, P M

2017-05-01

Performance standard specifications for point chemical vapor detectors are established in ASTM E 2885-13 and ASTM E 2933-13. The performance evaluation of the detectors requires the accurate delivery of known concentrations of the chemical target to the system under test. Referee methods enable the analyte test concentration and associated uncertainties in the analyte test concentration to be validated by independent analysis, which is especially important for reactive analytes. This work extends the capability of a previously demonstrated method for using Fourier transform infrared (FT-IR) absorption spectroscopy for quantitatively evaluating the composition of vapor streams containing hazardous materials at Acute Exposure Guideline Levels (AEGL) to include test conditions colder than laboratory ambient temperatures. The described method covers the use of primary reference spectra to establish analyte concentrations, the generation of secondary reference spectra suitable for measuring analyte concentrations under specified testing environments, and the use of additional reference spectra and spectral profile strategies to mitigate the uncertainties due to impurities and water condensation within the low-temperature (7 °C, -5 °C) test cell. Important benefits of this approach include verification of the test analyte concentration with characterized uncertainties by in situ measurements co-located with the detector under test, near-real-time feedback, and broad applicability to toxic industrial chemicals.

Fourier Transform Infrared Absorption Spectroscopy for Quantitative Analysis of Gas Mixtures at Low Temperatures for Homeland Security Applications

PubMed Central

Meier, D.C.; Benkstein, K.D.; Hurst, W.S.; Chu, P.M.

2016-01-01

Performance standard specifications for point chemical vapor detectors are established in ASTM E 2885-13 and ASTM E 2933-13. The performance evaluation of the detectors requires the accurate delivery of known concentrations of the chemical target to the system under test. Referee methods enable the analyte test concentration and associated uncertainties in the analyte test concentration to be validated by independent analysis, which is especially important for reactive analytes. This work extends the capability of a previously demonstrated method for using Fourier transform infrared (FT-IR) absorption spectroscopy for quantitatively evaluating the composition of vapor streams containing hazardous materials at Acute Exposure Guideline Levels (AEGL) to include test conditions colder than laboratory ambient temperatures. The described method covers the use of primary reference spectra to establish analyte concentrations, the generation of secondary reference spectra suitable for measuring analyte concentrations under specified testing environments, and the use of additional reference spectra and spectral profile strategies to mitigate the uncertainties due to impurities and water condensation within the low-temperature (7 °C, −5 °C) test cell. Important benefits of this approach include verification of the test analyte concentration with characterized uncertainties by in situ measurements co-located with the detector under test, near-real-time feedback, and broad applicability to toxic industrial chemicals. PMID:28090126

Compilation of minimum and maximum isotope ratios of selected elements in naturally occurring terrestrial materials and reagents

USGS Publications Warehouse

Coplen, T.B.; Hopple, J.A.; Böhlke, J.K.; Peiser, H.S.; Rieder, S.E.; Krouse, H.R.; Rosman, K.J.R.; Ding, T.; Vocke, R.D.; Revesz, K.M.; Lamberty, A.; Taylor, P.; De Bievre, P.

2002-01-01

Documented variations in the isotopic compositions of some chemical elements are responsible for expanded uncertainties in the standard atomic weights published by the Commission on Atomic Weights and Isotopic Abundances of the International Union of Pure and Applied Chemistry. This report summarizes reported variations in the isotopic compositions of 20 elements that are due to physical and chemical fractionation processes (not due to radioactive decay) and their effects on the standard atomic weight uncertainties. For 11 of those elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, silicon, sulfur, chlorine, copper, and selenium), standard atomic weight uncertainties have been assigned values that are substantially larger than analytical uncertainties because of common isotope abundance variations in materials of natural terrestrial origin. For 2 elements (chromium and thallium), recently reported isotope abundance variations potentially are large enough to result in future expansion of their atomic weight uncertainties. For 7 elements (magnesium, calcium, iron, zinc, molybdenum, palladium, and tellurium), documented isotope-abundance variations in materials of natural terrestrial origin are too small to have a significant effect on their standard atomic weight uncertainties. This compilation indicates the extent to which the atomic weight of an element in a given material may differ from the standard atomic weight of the element. For most elements given above, data are graphically illustrated by a diagram in which the materials are specified in the ordinate and the compositional ranges are plotted along the abscissa in scales of (1) atomic weight, (2) mole fraction of a selected isotope, and (3) delta value of a selected isotope ratio. There are no internationally distributed isotopic reference materials for the elements zinc, selenium, molybdenum, palladium, and tellurium. Preparation of such materials will help to make isotope ratio measurements among laboratories comparable. The minimum and maximum concentrations of a selected isotope in naturally occurring terrestrial materials for selected chemical elements reviewed in this report are given below: Isotope Minimum mole fraction Maximum mole fraction -------------------------------------------------------------------------------- 2H 0 .000 0255 0 .000 1838 7Li 0 .9227 0 .9278 11B 0 .7961 0 .8107 13C 0 .009 629 0 .011 466 15N 0 .003 462 0 .004 210 18O 0 .001 875 0 .002 218 26Mg 0 .1099 0 .1103 30Si 0 .030 816 0 .031 023 34S 0 .0398 0 .0473 37Cl 0 .240 77 0 .243 56 44Ca 0 .020 82 0 .020 92 53Cr 0 .095 01 0 .095 53 56Fe 0 .917 42 0 .917 60 65Cu 0 .3066 0 .3102 205Tl 0 .704 72 0 .705 06 The numerical values above have uncertainties that depend upon the uncertainties of the determinations of the absolute isotope-abundance variations of reference materials of the elements. Because reference materials used for absolute isotope-abundance measurements have not been included in relative isotope abundance investigations of zinc, selenium, molybdenum, palladium, and tellurium, ranges in isotopic composition are not listed for these elements, although such ranges may be measurable with state-of-the-art mass spectrometry. This report is available at the url: http://pubs.water.usgs.gov/wri014222.

The myth of the ``proliferation-resistant'' closed nuclear fuel cycle

NASA Astrophysics Data System (ADS)

Lyman, Edwin S.

2000-07-01

National nuclear energy programs that engage in reprocessing of spent nuclear fuel (SNF) and the development of "closed" nuclear fuel cycles based on the utilization of plutonium process and store large quantities of weapons-usable nuclear materials in forms vulnerable to diversion or theft by national or subnational groups. Proliferation resistance, an idea dating back at least as far as the International Fuel Cycle Evaluation (INFCE) of the late 1970s, is a loosely defined term referring to processes for chemical separation of SNF that do not extract weapons-usable materials in a purified form.

The ecology of the soft-bottom benthos of San Francisco Bay: a community profile

USGS Publications Warehouse

Nichols, Frederic H.; Pamatmat, Mario M.

1988-01-01

The profile provides a reference to the scientific information concerning the animals and plants of the bay's benthic communities, their importance to the bay ecosystem, and their value as a resource measured in human terms. Because there have been few process-oriented studies of the benthos of San Francisco Bay (e.g., field and laboratory rate-measurement experiments), the material presented herein is largely descriptive. Nonetheless, we have described the processes that interconnect the various physical, chemical, and biological components of the benthic environment, and the important couplings between this environment and the water column above, with reference to research results from other estuaries where necessary. We consider the role of the benthic community as a food source for fish, aquatic birds, and humans; as a consumer or degrader of organic materials including wastes; as a recycler of minerals and nutrients; and as an accumulator of pollutants.

Determination of mercury in ambient water samples by anodic stripping voltammetry on screen-printed gold electrodes.

PubMed

Bernalte, E; Marín Sánchez, C; Pinilla Gil, E

2011-03-09

The applicability of commercial screen-printed gold electrodes (SPGEs) for the determination of Hg(II) in ambient water samples by square wave anodic stripping voltammetry has been demonstrated. Electrode conditioning procedures, chemical and instrumental variables have been optimized to develop a reliable method capable of measuring dissolved mercury in the low ng mL(-1) range (detection limit 1.1 ng mL(-1)), useful for pollution monitoring or screening purposes. The proposed method was tested with the NIST 1641d Mercury in Water Standard Reference Material (recoveries 90.0-110%) and the NCS ZC 76303 Mercury in Water Certified Reference Material (recoveries 82.5-90.6%). Waste water samples from industrial origin and fortified rain water samples were assayed for mercury by the proposed method and by a reference ICP-MS method, with good agreement. Screen printing technology thus opens a useful way for the construction of reliable electrochemical sensors for decentralized or even field Hg(II) testing. Copyright © 2011 Elsevier B.V. All rights reserved.

Comprehensive Chemical Characterization of Hydrocarbons in NIST Standard Reference Material 2779 Gulf of Mexico Crude Oil

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

Worton, David R.; Zhang, Haofei; Isaacman-VanWertz, Gabriel

Comprehensive chemical information is needed to understand the environmental fate and impact of hydrocarbons released during oil spills. However, chemical information remains incomplete because of the limitations of current analytical techniques and the inherent chemical complexity of crude oils. In this study, gas chromatography (GC)-amenable C 9-C 33 hydrocarbons were comprehensively characterized from the National Institute of Standards and Technology Standard Reference Material (NIST SRM) 2779 Gulf of Mexico crude oil by GC coupled to vacuum ultraviolet photoionization mass spectrometry (GC/VUV-MS), with a mass balance of 68 ± 22%. This technique overcomes one important limitation faced by traditional GC andmore » even comprehensive 2D gas chromatography (GC×GC): the necessity for individual compounds to be chromatographically resolved from one another in order to be characterized. VUV photoionization minimizes fragmentation of the molecular ions, facilitating the characterization of the observed hydrocarbons as a function of molecular weight (carbon number, N C), structure (number of double bond equivalents, N DBE), and mass fraction (mg kg -1), which represent important metrics for understanding their fate and environmental impacts. Linear alkanes (8 ± 1%), bran ched alkanes (11 ± 2%), and cycloalkanes (37 ± 12%) dominated the mass with the largest contribution from cycloalkanes containing one or two rings and one or more alkyl side chains (27 ± 9%). Linearity and good agreement with previous work for a subset of >100 components and for the sum of compound classes provided confidence in our measurements and represents the first independent assessment of our analytical approach and calibration methodology. Another crude oil collected from the Marlin platform (35 km northeast of the Macondo well) was shown to be chemically identical within experimental errors to NIST SRM 2779, demonstrating that Marlin crude is an appropriate surrogate oil for researchers conducting laboratory research into impacts of the DeepWater Horizon disaster.« less

Comprehensive Chemical Characterization of Hydrocarbons in NIST Standard Reference Material 2779 Gulf of Mexico Crude Oil

DOE PAGES

Worton, David R.; Zhang, Haofei; Isaacman-VanWertz, Gabriel; ...

2015-10-13

Comprehensive chemical information is needed to understand the environmental fate and impact of hydrocarbons released during oil spills. However, chemical information remains incomplete because of the limitations of current analytical techniques and the inherent chemical complexity of crude oils. In this study, gas chromatography (GC)-amenable C 9-C 33 hydrocarbons were comprehensively characterized from the National Institute of Standards and Technology Standard Reference Material (NIST SRM) 2779 Gulf of Mexico crude oil by GC coupled to vacuum ultraviolet photoionization mass spectrometry (GC/VUV-MS), with a mass balance of 68 ± 22%. This technique overcomes one important limitation faced by traditional GC andmore » even comprehensive 2D gas chromatography (GC×GC): the necessity for individual compounds to be chromatographically resolved from one another in order to be characterized. VUV photoionization minimizes fragmentation of the molecular ions, facilitating the characterization of the observed hydrocarbons as a function of molecular weight (carbon number, N C), structure (number of double bond equivalents, N DBE), and mass fraction (mg kg -1), which represent important metrics for understanding their fate and environmental impacts. Linear alkanes (8 ± 1%), bran ched alkanes (11 ± 2%), and cycloalkanes (37 ± 12%) dominated the mass with the largest contribution from cycloalkanes containing one or two rings and one or more alkyl side chains (27 ± 9%). Linearity and good agreement with previous work for a subset of >100 components and for the sum of compound classes provided confidence in our measurements and represents the first independent assessment of our analytical approach and calibration methodology. Another crude oil collected from the Marlin platform (35 km northeast of the Macondo well) was shown to be chemically identical within experimental errors to NIST SRM 2779, demonstrating that Marlin crude is an appropriate surrogate oil for researchers conducting laboratory research into impacts of the DeepWater Horizon disaster.« less

Comprehensive Chemical Characterization of Hydrocarbons in NIST Standard Reference Material 2779 Gulf of Mexico Crude Oil.

PubMed

Worton, David R; Zhang, Haofei; Isaacman-VanWertz, Gabriel; Chan, Arthur W H; Wilson, Kevin R; Goldstein, Allen H

2015-11-17

Comprehensive chemical information is needed to understand the environmental fate and impact of hydrocarbons released during oil spills. However, chemical information remains incomplete because of the limitations of current analytical techniques and the inherent chemical complexity of crude oils. In this work, gas chromatography (GC)-amenable C9-C33 hydrocarbons were comprehensively characterized from the National Institute of Standards and Technology Standard Reference Material (NIST SRM) 2779 Gulf of Mexico crude oil by GC coupled to vacuum ultraviolet photoionization mass spectrometry (GC/VUV-MS), with a mass balance of 68 ± 22%. This technique overcomes one important limitation faced by traditional GC and even comprehensive 2D gas chromatography (GC×GC): the necessity for individual compounds to be chromatographically resolved from one another in order to be characterized. VUV photoionization minimizes fragmentation of the molecular ions, facilitating the characterization of the observed hydrocarbons as a function of molecular weight (carbon number, NC), structure (number of double bond equivalents, NDBE), and mass fraction (mg kg(-1)), which represent important metrics for understanding their fate and environmental impacts. Linear alkanes (8 ± 1%), branched alkanes (11 ± 2%), and cycloalkanes (37 ± 12%) dominated the mass with the largest contribution from cycloalkanes containing one or two rings and one or more alkyl side chains (27 ± 9%). Linearity and good agreement with previous work for a subset of >100 components and for the sum of compound classes provided confidence in our measurements and represents the first independent assessment of our analytical approach and calibration methodology. Another crude oil collected from the Marlin platform (35 km northeast of the Macondo well) was shown to be chemically identical within experimental errors to NIST SRM 2779, demonstrating that Marlin crude is an appropriate surrogate oil for researchers conducting laboratory research into impacts of the DeepWater Horizon disaster.

A microbial polyhydroxyalkanoates (PHA) based bio- and materials industry.

PubMed

Chen, Guo-Qiang

2009-08-01

Biopolyesters polyhydroxyalkanoates (PHA) produced by many bacteria have been investigated by microbiologists, molecular biologists, biochemists, chemical engineers, chemists, polymer experts and medical researchers. PHA applications as bioplastics, fine chemicals, implant biomaterials, medicines and biofuels have been developed and are covered in this critical review. Companies have been established or involved in PHA related R&D as well as large scale production. Recently, bacterial PHA synthesis has been found to be useful for improving robustness of industrial microorganisms and regulating bacterial metabolism, leading to yield improvement on some fermentation products. In addition, amphiphilic proteins related to PHA synthesis including PhaP, PhaZ or PhaC have been found to be useful for achieving protein purification and even specific drug targeting. It has become clear that PHA and its related technologies are forming an industrial value chain ranging from fermentation, materials, energy to medical fields (142 references).

Mars Sample Handling Protocol Workshop Series

NASA Technical Reports Server (NTRS)

Race, Margaret S. (Editor); Nealson, Kenneth H.; Rummel, John D. (Editor); Acevedo, Sara E. (Editor); Devincenzi, Donald L. (Technical Monitor)

2001-01-01

This report provides a record of the proceedings and recommendations of Workshop 3 of the Series, which was held in San Diego, California, March 19-21, 2001. Materials such as the Workshop agenda and participant lists as well as complete citations of all references and a glossary of terms and acronyms appear in the Appendices. Workshop 3 builds on the deliberations and findings of the earlier workshops in the Series, which have been reported separately. During Workshop 3, five individual sub-groups were formed to discuss the following topics: (1) Unifying Properties of Life, (2) Morphological organization and chemical properties, (3) Geochemical and geophysical properties, (4) Chemical Method and (5) Cell Biology Methods.

Polymeric spatial resolution test patterns for mass spectrometry imaging using nano-thermal analysis with atomic force microscopy

DOE PAGES

Tai, Tamin; Kertesz, Vilmos; Lin, Ming -Wei; ...

2017-05-11

As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This study describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging.

Polymeric spatial resolution test patterns for mass spectrometry imaging using nano-thermal analysis with atomic force microscopy

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

Tai, Tamin; Kertesz, Vilmos; Lin, Ming -Wei

As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This study describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging.

Carbon nanotubes--electronic/electrochemical properties and application for nanoelectronics and photonics.

PubMed

Sgobba, Vito; Guldi, Dirk M

2009-01-01

The fundamental chemical, redox, electrochemical, photoelectrochemical, optical and optoelectronic features of carbon nanotubes are surveyed with particular emphasis on the most relevant applications as electron donor/electron acceptor or as electron conductor/hole conductor materials, in solutions and in the solid state. Methods that aim at p- and n-doping as a means to favor hole or electron injection/transport are covered as well (critical review, 208 references).

Principles and applications of laser-induced liquid-phase jet-chemical etching

NASA Astrophysics Data System (ADS)

Stephen, Andreas; Metev, Simeon; Vollertsen, Frank

2003-11-01

In this treatment method laser radiation, which is guided from a coaxially expanding liquid jet-stream, locally initiates a thermochemical etching reaction on a metal surface, which leads to selective material removal at high resolution and quality of the treated surface as well as low thermal influence on the workpiece. Electrochemical investigations were performed under focused laser irradiation using a cw-Nd:YAG laser with a maximum power of 15 W and a simultaneous impact of the liquid jet-stream consisting of phosphoric acid with a maximum flow rate of 20 m/s. The time resolved measurements of the electrical potential difference against an electrochemical reference electrode were correlated with the specific processing parameters and corresponding etch rates to identify processing conditions for temporally stable and enhanced chemical etching reactions. Applications of laser-induced liquid-phase jet-chemical etching in the field of sensor technology, micromechanics and micrmoulding technology are presented. This includes the microstructuring of thin film systems, cutting of foils of shape memory alloys or the generation of structures with defined shape in bulk material.

Electrical and chemical interactions at Mars Workshop, part 1

NASA Technical Reports Server (NTRS)

1992-01-01

The Electrical and Chemical Interactions at Mars Workshop, hosted by NASA Lewis Research Center on November 19 and 20, 1991, was held with the following objectives in mind: (1) to identify issues related to electrical and chemical interactions between systems and their local environments on Mars, and (2) to recommend means of addressing those issues, including the dispatch of robotic spacecraft to Mars to acquire necessary information. The workshop began with presentations about Mars' surface and orbital environments, Space Exploration Initiative (SEI) systems, environmental interactions, modeling and analysis, and plans for exploration. Participants were then divided into two working groups: one to examine the surface of Mars; and the other, the orbit of Mars. The working groups were to identify issues relating to environmental interactions; to state for each issue what is known and what new knowledge is needed; and to recommend ways to fulfill the need. Issues were prioritized within each working group using the relative severity of effects as a criterion. Described here are the two working groups' contributions. A bibliography of materials used during the workshop and suggested reference materials is included.

Effect of inorganic salts on the volatility of organic acids.

PubMed

Häkkinen, Silja A K; McNeill, V Faye; Riipinen, Ilona

2014-12-02

Particulate phase reactions between organic and inorganic compounds may significantly alter aerosol chemical properties, for example, by suppressing particle volatility. Here, chemical processing upon drying of aerosols comprised of organic (acetic, oxalic, succinic, or citric) acid/monovalent inorganic salt mixtures was assessed by measuring the evaporation of the organic acid molecules from the mixture using a novel approach combining a chemical ionization mass spectrometer coupled with a heated flow tube inlet (TPD-CIMS) with kinetic model calculations. For reference, the volatility, i.e. saturation vapor pressure and vaporization enthalpy, of the pure succinic and oxalic acids was also determined and found to be in agreement with previous literature. Comparison between the kinetic model and experimental data suggests significant particle phase processing forming low-volatility material such as organic salts. The results were similar for both ammonium sulfate and sodium chloride mixtures, and relatively more processing was observed with low initial aerosol organic molar fractions. The magnitude of low-volatility organic material formation at an atmospherically relevant pH range indicates that the observed phenomenon is not only significant in laboratory conditions but is also of direct atmospheric relevance.

Biotechnology and genetic engineering in the new drug development. Part III. Biocatalysis, metabolic engineering and molecular modelling.

PubMed

Stryjewska, Agnieszka; Kiepura, Katarzyna; Librowski, Tadeusz; Lochyński, Stanisław

2013-01-01

Industrial biotechnology has been defined as the use and application of biotechnology for the sustainable processing and production of chemicals, materials and fuels. It makes use of biocatalysts such as microbial communities, whole-cell microorganisms or purified enzymes. In the review these processes are described. Drug design is an iterative process which begins when a chemist identifies a compound that displays an interesting biological profile and ends when both the activity profile and the chemical synthesis of the new chemical entity are optimized. Traditional approaches to drug discovery rely on a stepwise synthesis and screening program for large numbers of compounds to optimize activity profiles. Over the past ten to twenty years, scientists have used computer models of new chemical entities to help define activity profiles, geometries and relativities. This article introduces inter alia the concepts of molecular modelling and contains references for further reading.

Transport of chemical and microbial compounds from known wastewater discharges: Potential for use as indicators of human fecal contamination

USGS Publications Warehouse

Glassmeyer, S.T.; Furlong, E.T.; Kolpin, D.W.; Cahill, J.D.; Zaugg, S.D.; Werner, S.L.; Meyer, M.T.; Kryak, D.D.

2005-01-01

The quality of drinking and recreational water is currently (2005) determined using indicator bacteria. However, the culture tests used to analyze for these bacteria require a long time to complete and do not discriminate between human and animal fecal material sources. One complementary approach is to use chemicals found in human wastewater, which would have the advantages of (1) potentially shorter analysis times than the bacterial culture tests and (2) being selected for human-source specificity. At 10 locations, water samples were collected upstream and at two successive points downstream from a wastewaster treatment plant (WWTP); a treated effluent sample was also collected at each WWTP. This sampling plan was used to determine the persistence of a chemically diverse suite of emerging contaminants in streams. Samples were also collected at two reference locations assumed to have minimal human impacts. Of the 110 chemical analytes investigated in this project, 78 were detected at least once. The number of compounds in a given sample ranged from 3 at a reference location to 50 in a WWTP effluent sample. The total analyte load at each location varied from 0.018 μg/L at the reference location to 97.7 μg/L in a separate WWTP effluent sample. Although most of the compound concentrations were in the range of 0.01−1.0 μg/L, in some samples, individual concentrations were in the range of 5−38 μg/L. The concentrations of the majority of the chemicals present in the samples generally followed the expected trend:  they were either nonexistent or at trace levels in the upstream samples, had their maximum concentrations in the WWTP effluent samples, and then declined in the two downstream samples. This research suggests that selected chemicals are useful as tracers of human wastewater discharge.

[Rapid identification of micro-constituents in monoammonium glycyrrhizinate raw materials by high-pressure solid phase extraction-high performance liquid chromatography-mass spectrometry].

PubMed

Yang, Xue-Dong; Tang, Xu-Yan; Sang, Lin

2012-11-01

To establish a method for rapid identification of micro-constituents in monoammonium glycyrrhizinate by high-pressure solid phase extraction-high performance liquid chromatography-mass spectrometry. HPLC preparative chromatograph was adopted for determining the optimal method for high-pressure solid phase extraction under optimal conditions. 5C18-MS-II column (20.0 mm x 20.0 mm) was used as the extraction column, with 35% acetonitrile-acetic acid solution (pH 2. 20) as eluent at the speed of 16 mL x min(-1). The sample size was 0.5 mL, and the extraction cycle was 4.5 min. Then, extract liquid was analyzed by high performance liquid chromatography-mass spectrometry (HPLC-MS) after being concentrated by 100 times. Under the optimal condition of high-pressure solid phase extraction-high performance liquid chromatography-mass spectrometry, 10 components were rapidly identified from monoammonium glycyrrhizinate raw materials. Among them, the chemical structures of six micro-constituents were identified as 3-O-[beta-D-glucuronopyranosyl-beta-D-glucuronopyranosyl]-30-0-beta-D-apiopyranosylglycyrrhetic/3-O- [P-D-glucuronopyranosyl-beta-D-glucuronopyranosyl]-30-O-beta-D-arabinopyranosylglycyrrhetic, glycyrrhizic saponin F3, 22-hydroxyglycyrrhizin/18alpha-glycyrrhizic saponin G2, 3-O-[beta-D-rhamnopyranosyl]-24-hydroxyglycyrrhizin, glycyrrhizic saponin J2, and glycyrrhizic saponin B2 by MS(n) spectra analysis and reference to literatures. Four main chemical components were identified as glycyrrhizic saponin G2, 18beta-glycyrrhizic acid, uralglycyrrhizic saponin B and 18alpha-glycyrrhizic acid by liquid chromatography, MS(n) and ultraviolet spectra information and comparison with reference substances. The method can be used to identify chemical constituents in monoammonium glycyrrhizinate quickly and effectively, without any reference substance, which provides basis for quality control and safe application of monoammonium glycyrrhizinate-related products.

Performance of Mercury Triple-Point Cells Made in Brazil

NASA Astrophysics Data System (ADS)

Petkovic, S. G.; Santiago, J. F. N.; Filho, R. R.; Teixeira, R. N.; Santos, P. R. F.

2003-09-01

Fixed-points cells are primary standards in ITS-90. They contain reference material with a purity of 99.999 % or more. The gallium in a melting-point cell, for example, can reach a purity of 99.99999 %. This level of purity is not easy to obtain. However, substances like water and mercury can be purified by means of distillation and chemical procedures. This paper presents the results of mercury triple-point cells made in Brazil that were directly compared to a mercury triple-point cell of 99.999% purity. This reference cell, made by Isotech (England), was previously compared to cells from CENAM (Mexico) and NRC (Canada) and the maximum deviation found was approximately 0.4 mK. The purification stage started with a sample of mercury 99.3 % pure, and the repeated use of both mechanical and chemical processes led to a purification grade considered good enough for calibration of standard platinum resistance thermometers. The purification procedures, the method of construction of the cell, the laboratory facilities, the comparison results and the budget of uncertainties are described in this paper. All of the cells tested have a triple-point temperature within 0.25 mK of the triple-point temperature of the Inmetro reference cell.

GHR1 - A new Eocene natural reference material for U-Pb and Hf isotopic measurements in zircon

NASA Astrophysics Data System (ADS)

Ibanez-Mejia, M.; Eddy, M. P.

2017-12-01

We present chemical abrasion-isotope dilution-thermal ionization (CA-ID-TIMS) U-Pb zircon geochronology and solution multicollector-inductively coupled plasma-mass spectrometry (MC-ICP-MS) Hf isotopic data from a proposed natural zircon reference material for use during in situ analyses of U-Pb and Hf isotopic ratios. The sample, GHR1, was collected from the rapakivi intrusive phase of the Eocene Golden Horn batholith in Washington, USA. Zircons separated from this sample range up to 250-300 μm in length and have moderate aspect ratios. A weighted mean of 15 Th-corrected 206Pb/238U zircon dates from GHR1 produced at the Massachusetts Institute of Technology is 48.132 ± 0.023 Ma (2σ analytical and tracer uncertainties only, MSWD=1.70) confirming that there is little or no inter-crystal age heterogeneity at the scale of a few 10 kyr. Solution MC-ICP-MS measurements of chemically purified aliquots give a 176Hf/177Hf weighted mean of 0.283050 ± 17 (2σ, n=10), corresponding to a ɛHf0 of ca. +9.3. The 2σ variability of these measurements is comparable to our reproducibility of the JMC-475 Hf isotopic standard 0.282160 ± 14 (n= 13), suggesting that GHR1 zircons are homogenous with respect to 176Hf/177Hf. In situ 206Pb/238U dates from collaborating secondary ion mass spectrometry (SIMS), sensitive high-resolution ion microprobe (SHRIMP), and laser ablation ICP-MS (LA-ICP-MS) laboratories are in excellent agreement with the CA-ID-TIMS date and illustrate the reproducibility and potential value of this reference zircon. The mean values of 176Hf/177Hf measurements from two LA-ICP-MS laboratories are in agreement with the solution MC-ICP-MS value, but show slightly greater dispersion and higher (Lu+Yb)/Hf values. We attribute this discrepancy to apatite inclusions that are high in REE and may lead to greater isobaric interferences on 176Hf. These inclusions and potential isobaric interferences from REE were removed during the chemical abrasion step prior to bulk dissolution and ion-exchange purification in the solution data. Nevertheless, the apparent isotopic homogeneity and reproducibility of 206Pb/238U and 176Hf/177Hf ratios and the potentially unlimited reserves of GHR1 suggest that it is a promising reference material. We plan to distribute GHR1 at the meeting to interested laboratories.

Metal-Organic Framework with Aromatic Rings Tentacles: High Sulfur Storage in Li-S Batteries and Efficient Benzene Homologues Distinction.

PubMed

Li, Meng-Ting; Sun, Yu; Zhao, Kai-Sen; Wang, Zhao; Wang, Xin-Long; Su, Zhong-Min; Xie, Hai-Ming

2016-12-07

We designed and fabricated a fluorophore-containing tetradentate carboxylate ligand-based metal-organic framework (MOF) material with open and semiopen channels, which acted as the host for sulfur trapped in Li-S batteries and sensor of benzene homologues. These channels efficiently provide a π-π* conjugated matrix for the charge transfer and guest molecule trapping. The open channel ensured a much higher loading quantitative of sulfur (S content-active material, 72 wt %; electrode, 50.4 wt %) than most of the MOF/sulfur composites, while the semiopen channel possessing aromatic rings tentacles guaranteed an outstanding specific discharge capacity (1092 mA h g -1 at 0.1 C) accompanied by good cycling stability. To our surprise, benefiting from special π-π* conjugated conditions, compound 1 could be a chemical sensor for benzene homologues, especially for 1,2,4-trimethylbenzene (1,2,4-TMB). This is the first example of MOFs materials serving as a sensor of 1,2,4-TMB among benzene homologues. Our works may be worthy of use for references in other porous materials systems to manufacture more long-acting Li-S batteries and sensitive chemical sensors.

Chemical Bonding and Structural Information of Black CarbonReference Materials and Individual Carbonaceous AtmosphericAerosols

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

Hopkins, Rebecca J.; Tivanski, Alexei V.; Marten, Bryan D.

2007-04-25

The carbon-to-oxygen ratios and graphitic nature of a rangeof black carbon standard reference materials (BC SRMs), high molecularmass humic-like substances (HULIS) and atmospheric particles are examinedusing scanning transmission X-ray microscopy (STXM) coupled with nearedge X-ray absorption fine structure (NEXAFS) spectroscopy. UsingSTXM/NEXAFS, individual particles with diameter>100 nm are studied,thus the diversity of atmospheric particles collected during a variety offield missions is assessed. Applying a semi-quantitative peak fittingmethod to the NEXAFS spectra enables a comparison of BC SRMs and HULIS toparticles originating from anthropogenic combustion and biomass burns,thus allowing determination of the suitability of these materials forrepresenting atmospheric particles. Anthropogenic combustion andmore » biomassburn particles can be distinguished from one another using both chemicalbonding and structural ordering information. While anthropogeniccombustion particles are characterized by a high proportion ofaromatic-C, the presence of benzoquinone and are highly structurallyordered, biomass burn particles exhibit lower structural ordering, asmaller proportion of aromatic-C and contain a much higher proportion ofoxygenated functional groups.« less

Characterization of aluminum nitride based films with high resolution X-ray fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Anagnostopoulos, D. F.; Siozios, A.; Patsalas, P.

2018-02-01

X-ray fluorescence spectra of Al based films are measured, using a lab-scale wavelength dispersive flat crystal spectrometer. Various structures of AlN films were studied, like single layered, capped, stratified, nanostructured, crystalline, or amorphous. By optimizing the set-up for enhanced energy resolution and detection efficiency, the measured line shapes of Κα, Kβ, and KLL radiative Auger transitions are shown to be adequately detailed to allow chemical characterization. The chemistry identification is based on the pattern comparison of the emitted line shape from the chemically unknown film and the reference line shapes from standard materials, recorded under identical experimental conditions. The ultimate strength of lab-scale high resolution X-ray fluorescence spectroscopy on film analysis is verified, in cases that ordinary applied techniques like X-ray photoelectron and X-ray diffraction fail, while the characterization refers to the non-destructive determination of the bulk properties of the film and not to its surface, as the probed depth is in the micrometer range.

Fast sparse Raman spectral unmixing for chemical fingerprinting and quantification

NASA Astrophysics Data System (ADS)

Yaghoobi, Mehrdad; Wu, Di; Clewes, Rhea J.; Davies, Mike E.

2016-10-01

Raman spectroscopy is a well-established spectroscopic method for the detection of condensed phase chemicals. It is based on scattered light from exposure of a target material to a narrowband laser beam. The information generated enables presumptive identification from measuring correlation with library spectra. Whilst this approach is successful in identification of chemical information of samples with one component, it is more difficult to apply to spectral mixtures. The capability of handling spectral mixtures is crucial for defence and security applications as hazardous materials may be present as mixtures due to the presence of degradation, interferents or precursors. A novel method for spectral unmixing is proposed here. Most modern decomposition techniques are based on the sparse decomposition of mixture and the application of extra constraints to preserve the sum of concentrations. These methods have often been proposed for passive spectroscopy, where spectral baseline correction is not required. Most successful methods are computationally expensive, e.g. convex optimisation and Bayesian approaches. We present a novel low complexity sparsity based method to decompose the spectra using a reference library of spectra. It can be implemented on a hand-held spectrometer in near to real-time. The algorithm is based on iteratively subtracting the contribution of selected spectra and updating the contribution of each spectrum. The core algorithm is called fast non-negative orthogonal matching pursuit, which has been proposed by the authors in the context of nonnegative sparse representations. The iteration terminates when the maximum number of expected chemicals has been found or the residual spectrum has a negligible energy, i.e. in the order of the noise level. A backtracking step removes the least contributing spectrum from the list of detected chemicals and reports it as an alternative component. This feature is particularly useful in detection of chemicals with small contributions, which are normally not detected. The proposed algorithm is easily reconfigurable to include new library entries and optional preferential threat searches in the presence of predetermined threat indicators. Under Ministry of Defence funding, we have demonstrated the algorithm for fingerprinting and rough quantification of the concentration of chemical mixtures using a set of reference spectral mixtures. In our experiments, the algorithm successfully managed to detect the chemicals with concentrations below 10 percent. The running time of the algorithm is in the order of one second, using a single core of a desktop computer.

Quantitative determination of sulfur content in concrete with laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Weritz, F.; Ryahi, S.; Schaurich, D.; Taffe, A.; Wilsch, G.

2005-08-01

Laser-induced breakdown spectroscopy has been employed for the investigation of the sulfur content of concrete. Sulfur compounds are a natural but minor component in building materials. The ingress of sulfates or sulfuric acid constitutes a major risk of chemical aggression for concrete. There is a need for a fast method, which can be used on-site and is able to investigate a wide range of different measuring points, so that damages can be characterized. For quantitative determination the sulfur spectral line at 921.3 nm is used. The optimum ambient atmosphere has been determined by comparison of measurements accomplished under air, argon and helium atmosphere. Reference samples have been produced and calibration curves have been determined, the results of LIBS measurements are compared with results from chemical analysis. Defining a limit for the intensity ratio of a calcium and a oxygen spectral line can reduce the influence of the heterogeneity of the material, so that only spectra with a high amount of cementitious material are evaluated. Depth profiles and spatial resolved sulfur distributions are presented measured on concrete cores originating from a highly sulfate contaminated clarifier.

NASA Hydrogen Peroxide Propellant Hazards Technical Manual

NASA Technical Reports Server (NTRS)

Baker, David L.; Greene, Ben; Frazier, Wayne

2005-01-01

The Fire, Explosion, Compatibility and Safety Hazards of Hydrogen Peroxide NASA technical manual was developed at the NASA Johnson Space Center White Sands Test Facility. NASA Technical Memorandum TM-2004-213151 covers topics concerning high concentration hydrogen peroxide including fire and explosion hazards, material and fluid reactivity, materials selection information, personnel and environmental hazards, physical and chemical properties, analytical spectroscopy, specifications, analytical methods, and material compatibility data. A summary of hydrogen peroxide-related accidents, incidents, dose calls, mishaps and lessons learned is included. The manual draws from art extensive literature base and includes recent applicable regulatory compliance documentation. The manual may be obtained by United States government agencies from NASA Johnson Space Center and used as a reference source for hazards and safe handling of hydrogen peroxide.

Discrimination of Biological and Chemical Threat Simulants in Residue Mixtures on Multiple Substrates

DTIC Science & Technology

2011-02-18

environmental interferents selected for this study included dolomitic limestone (Lime, NIST Standard Reference Materials, Catalog No. SRM 88b) and ovalbumin...emission lines due solely to substrates or interferents can be ignored. As in previous studies by our group, the background-corrected peak ...calculated by adding the intensi- ties of the emission lines at 486 and 656 nm); the summed intensities were normalized to the total peak intensity of the

Detection device for hazardous materials

DOEpatents

Partin, Judy K.; Grey, Alan E.

1994-01-01

A detection device that is activated by the interaction of a hazardous chcal with a coating interactive with said chemical on an optical fiber thereby reducing the amount of light passing through the fiber to a light detector. A combination of optical filters separates the light into a signal beam and a reference beam which after detection, appropriate amplification, and comparison with preset internal signals, activates an alarm means if a predetermined level of contaminant is observed.

High-throughput methodologies for chemicals and materials research and development

NASA Astrophysics Data System (ADS)

Hewes, John D.

2000-05-01

This report is a collection point for non-proprietary business and technical information gleaned from industry input, for example as obtained at an Industry Probe Working Group Discussion held in March, 1998, public ATP Workshops held November 18, 1998 in Atlanta, GA, November 16, 1999 in San Jose, CA, as well as ATP's participation in many industrial forums in the last two years. Complete review articles can be found in the references.

Materials processing in space bibliography, 1983, revised

NASA Technical Reports Server (NTRS)

Pentecost, E. (Compiler)

1983-01-01

Flight experiments utilizing a low gravity environment to elucidate and control various processes, or ground based activities that provide supporting research are compiled. Six major categories: crystal growth; solidification of metals, alloys, and composites; fluids, transports, and chemical processes; glasses and ceramics; ultrahigh vacuum and containerless processing technologies; and combustion are included. A list of patents and appendices providing a compilation of anonymously authored collections and reports and a cross reference index are included.

Detection device for hazardous materials

DOEpatents

Partin, Judy K.; Grey, Alan E.

1994-04-05

A detection device that is activated by the interaction of a hazardous chcal with a coating interactive with said chemical on an optical fiber thereby reducing the amount of light passing through the fiber to a light detector. A combination of optical filters separates the light into a signal beam and a reference beam which after detection, appropriate amplification, and comparison with preset internal signals, activates an alarm means if a predetermined level of contaminant is observed.

Fracture Characteristics of Structural Steels: Reference Manual

DTIC Science & Technology

1979-04-01

materials were fractured undcr tensile, fatigue, and impact loading con- ditions. The effects of hydrogen embrittlement on the steels ’ behavior when...years after paint failure. The composition and the heat treatment of 4160 steel results in a steel extremely susceptible to stress corrosion cracking and...A35 Fracture Surface of Tensile Specimen No. 3 322 22 IL TABLES Number Page 1 Chemical Composition of Steels and Weld Metal 32 2 Welding Parameters 33

Comparison of originator and biosimilar therapeutic monoclonal antibodies using comprehensive two-dimensional liquid chromatography coupled with time-of-flight mass spectrometry.

PubMed

Sorensen, Matthew; Harmes, David C; Stoll, Dwight R; Staples, Gregory O; Fekete, Szabolcs; Guillarme, Davy; Beck, Alain

2016-10-01

As research, development, and manufacturing of biosimilar protein therapeutics proliferates, there is great interest in the continued development of a portfolio of complementary analytical methods that can be used to efficiently and effectively characterize biosimilar candidate materials relative to the respective reference (i.e., originator) molecule. Liquid phase separation techniques such as liquid chromatography and capillary electrophoresis are powerful tools that can provide both qualitative and quantitative information about similarities and differences between reference and biosimilar materials, especially when coupled with mass spectrometry. However, the inherent complexity of these protein materials challenges even the most modern one-dimensional (1D) separation methods. Two-dimensional (2D) separations present a number of potential advantages over 1D methods, including increased peak capacity, 2D peak patterns that can facilitate unknown identification, and improvement in the compatibility of some separation methods with mass spectrometry. In this study, we demonstrate the use of comprehensive 2D-LC separations involving cation-exchange (CEX) and reversed-phase (RP) separations in the first and second dimensions to compare 3 reference/biosimilar pairs of monoclonal antibodies (cetuximab, trastuzumab and infliximab) that cover a range of similarity/disimilarity in a middle-up approach. The second dimension RP separations are coupled to time-of-flight mass spectrometry, which enables direct identification of features in the chromatograms obtained from mAbs digested with the IdeS enzyme, or digestion with IdeS followed by reduction with dithiothreitol. As many as 23 chemically unique mAb fragments were detected in a single sample. Our results demonstrate that these rich datasets enable facile assesment of the degree of similarity between reference and biosimilar materials.

Quantitative Analysis of Plutonium Content in Particles Collected from a Certified Reference Material by Total Nuclear Reaction Energy (Q Value) Spectroscopy

NASA Astrophysics Data System (ADS)

Croce, M. P.; Hoover, A. S.; Rabin, M. W.; Bond, E. M.; Wolfsberg, L. E.; Schmidt, D. R.; Ullom, J. N.

2016-08-01

Microcalorimeters with embedded radioisotopes are an emerging category of sensor with advantages over existing methods for isotopic analysis of trace-level nuclear materials. For each nuclear decay, the energy of all decay products captured by the absorber (alpha particles, gamma rays, X-rays, electrons, daughter nuclei, etc.) is measured in one pulse. For alpha-decaying isotopes, this gives a measurement of the total nuclear reaction energy (Q value) and the spectra consist of well-separated, narrow peaks. We have demonstrated a simple mechanical alloying process to create an absorber structure consisting of a gold matrix with small inclusions of a radioactive sample. This absorber structure provides an optimized energy thermalization environment, resulting in high-resolution spectra with minimal tailing. We have applied this process to the analysis of particles collected from the surface of a plutonium metal certified reference material (CRM-126A from New Brunswick Laboratory) and demonstrated isotopic analysis by microcalorimeter Q value spectroscopy. Energy resolution from the Gaussian component of a Bortels function fit was 1.3 keV FWHM at 5244 keV. The collected particles were integrated directly into the detector absorber without any chemical processing. The ^{238}Pu/^{239}Pu and ^{240}Pu/^{239}Pu mass ratios were measured and the results confirmed against the certificate of analysis for the reference material. We also demonstrated inter-element analysis capability by measuring the ^{241}Am/^{239}Pu mass ratio.

Nonlinear Optical Materials for the Smart Filtering of Optical Radiation.

PubMed

Dini, Danilo; Calvete, Mário J F; Hanack, Michael

2016-11-23

The control of luminous radiation has extremely important implications for modern and future technologies as well as in medicine. In this Review, we detail chemical structures and their relevant photophysical features for various groups of materials, including organic dyes such as metalloporphyrins and metallophthalocyanines (and derivatives), other common organic materials, mixed metal complexes and clusters, fullerenes, dendrimeric nanocomposites, polymeric materials (organic and/or inorganic), inorganic semiconductors, and other nanoscopic materials, utilized or potentially useful for the realization of devices able to filter in a smart way an external radiation. The concept of smart is referred to the characteristic of those materials that are capable to filter the radiation in a dynamic way without the need of an ancillary system for the activation of the required transmission change. In particular, this Review gives emphasis to the nonlinear optical properties of photoactive materials for the function of optical power limiting. All known mechanisms of optical limiting have been analyzed and discussed for the different types of materials.

Use of the characteristic Raman lines of toluene (C7 H8) as a precise frequency reference on the spectral analysis of gasoline-ethanol blends

NASA Astrophysics Data System (ADS)

Ortega Clavero, Valentin; Javahiraly, Nicolas; Weber, Andreas; Schröder, Werner; Curticapean, Dan; Meyrueis, Patrick P.

2014-09-01

In order to reduce some of the toxic emissions produced by internal combustion engines, the fossil-based fuels have been combined with less harmful materials in recent years. However, the fuels used in the automotive industry generally contain different additives, such as toluene, as anti-shock agents and as octane number enhancers. These materials can cause certain negative impact, besides the high volatility implied, on public health or environment due to its chemical composition. Toluene, among several other chemical compounds, is an additive widely used in the commercially-available gasoline-ethanol blends. Despite the negative aspects in terms of toxicity that this material might have, the Raman spectral information of toluene can be used to achieve certain level of frequency calibration without using any additional chemical marker in the sample or any other external device. Moreover, the characteristic and well-defined Raman line of this chemical compound at 1003 cm-1 (even at low v/v content) can be used to quantitatively determine certain aspects of the gasoline-ethanol blend under observation. By using an own-designed Fourier-Transform Raman spectrometer (FT-Raman), we have collected and analyzed different commercially-available and laboratory-prepared gasoline-ethanol blends. By carefully observing the main Raman peaks of toluene in these fuel blends, we have determined the frequency accuracy of the Raman spectra obtained. The spectral information has been obtained in the range of 0 cm-1 to 3500 cm-1 with a spectral resolution of 1.66 cm-1. The Raman spectra obtained presented only reduced frequency deviations in comparison to the standard Raman spectrum of toluene provided by the American Society for Testing and Materials (ASTM).

Modifications to particles as they move through landscapes: connecting soils and sediments

NASA Astrophysics Data System (ADS)

Owens, Philip N.

2016-04-01

In many areas of the world, soils are eroded leading to the movement of particles towards the global ocean. Along this journey, there are modifications to these particles and we tend to refer to this altered material as sediment in recognition that such material may no longer be fully reflective of its source. These modifications are brought about by physical, chemical and biological processes, and by the inclusion of additional sources of material, such as channel banks. The degree of modification is partly a function of the inherent properties of the original soil material but also reflects landscape type, and the temporal and spatial scales of investigation. This presentation will consider the changes in particles between soil profiles and sediment transported in river systems, drawing on examples from studies in Canada and beyond. It is hoped that by understanding the transformation of such material we can predict better its movement and impacts.

Reference Genes for qPCR Analysis in Resin-Tapped Adult Slash Pine As a Tool to Address the Molecular Basis of Commercial Resinosis

PubMed Central

de Lima, Júlio C.; de Costa, Fernanda; Füller, Thanise N.; Rodrigues-Corrêa, Kelly C. da Silva; Kerber, Magnus R.; Lima, Mariano S.; Fett, Janette P.; Fett-Neto, Arthur G.

2016-01-01

Pine oleoresin is a major source of terpenes, consisting of turpentine (mono- and sesquiterpenes) and rosin (diterpenes) fractions. Higher oleoresin yields are of economic interest, since oleoresin derivatives make up a valuable source of materials for chemical industries. Oleoresin can be extracted from living trees, often by the bark streak method, in which bark removal is done periodically, followed by application of stimulant paste containing sulfuric acid and other chemicals on the freshly wounded exposed surface. To better understand the molecular basis of chemically-stimulated and wound induced oleoresin production, we evaluated the stability of 11 putative reference genes for the purpose of normalization in studying Pinus elliottii gene expression during oleoresinosis. Samples for RNA extraction were collected from field-grown adult trees under tapping operations using stimulant pastes with different compositions and at various time points after paste application. Statistical methods established by geNorm, NormFinder, and BestKeeper softwares were consistent in pointing as adequate reference genes HISTO3 and UBI. To confirm expression stability of the candidate reference genes, expression profiles of putative P. elliottii orthologs of resin biosynthesis-related genes encoding Pinus contorta β-pinene synthase [PcTPS-(−)β-pin1], P. contorta levopimaradiene/abietadiene synthase (PcLAS1), Pinus taeda α-pinene synthase [PtTPS-(+)αpin], and P. taeda α-farnesene synthase (PtαFS) were examined following stimulant paste application. Increased oleoresin yields observed in stimulated treatments using phytohormone-based pastes were consistent with higher expression of pinene synthases. Overall, the expression of all genes examined matched the expected profiles of oleoresin-related transcript changes reported for previously examined conifers. PMID:27379135

Reference Genes for qPCR Analysis in Resin-Tapped Adult Slash Pine As a Tool to Address the Molecular Basis of Commercial Resinosis.

PubMed

de Lima, Júlio C; de Costa, Fernanda; Füller, Thanise N; Rodrigues-Corrêa, Kelly C da Silva; Kerber, Magnus R; Lima, Mariano S; Fett, Janette P; Fett-Neto, Arthur G

2016-01-01

Pine oleoresin is a major source of terpenes, consisting of turpentine (mono- and sesquiterpenes) and rosin (diterpenes) fractions. Higher oleoresin yields are of economic interest, since oleoresin derivatives make up a valuable source of materials for chemical industries. Oleoresin can be extracted from living trees, often by the bark streak method, in which bark removal is done periodically, followed by application of stimulant paste containing sulfuric acid and other chemicals on the freshly wounded exposed surface. To better understand the molecular basis of chemically-stimulated and wound induced oleoresin production, we evaluated the stability of 11 putative reference genes for the purpose of normalization in studying Pinus elliottii gene expression during oleoresinosis. Samples for RNA extraction were collected from field-grown adult trees under tapping operations using stimulant pastes with different compositions and at various time points after paste application. Statistical methods established by geNorm, NormFinder, and BestKeeper softwares were consistent in pointing as adequate reference genes HISTO3 and UBI. To confirm expression stability of the candidate reference genes, expression profiles of putative P. elliottii orthologs of resin biosynthesis-related genes encoding Pinus contorta β-pinene synthase [PcTPS-(-)β-pin1], P. contorta levopimaradiene/abietadiene synthase (PcLAS1), Pinus taeda α-pinene synthase [PtTPS-(+)αpin], and P. taeda α-farnesene synthase (PtαFS) were examined following stimulant paste application. Increased oleoresin yields observed in stimulated treatments using phytohormone-based pastes were consistent with higher expression of pinene synthases. Overall, the expression of all genes examined matched the expected profiles of oleoresin-related transcript changes reported for previously examined conifers.

Thirdhand Smoke: New Evidence, Challenges, and Future Directions

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

Jacob, Peyton; Benowitz, Neal L.; Destaillats, Hugo

Thirdhand smoke (THS) is the contamination that persists after secondhand tobacco smoke has been emitted into air. It refers to the tobacco-related gases and particles that become embedded in materials, such as the carpet, walls, furniture, blankets, and toys. THS is not strictly smoke, but chemicals that adhere to surfaces from which they can be released back into the air, undergo chemical transformations and/or accumulate. Currently, the hazards of THS are not as well documented as the hazards of secondhand smoke (SHS). In this paper, we describe the distribution and chemical changes that occur as SHS is transformed into THS,more » studies of environmental contamination by THS, human exposure studies, toxicology studies using animal models and in vitro systems, possible approaches for avoiding exposure, remediation of THS contamination, and priorities for further research.« less

Thirdhand Smoke: New Evidence, Challenges, and Future Directions

DOE PAGES

Jacob, Peyton; Benowitz, Neal L.; Destaillats, Hugo; ...

2016-11-30

Thirdhand smoke (THS) is the contamination that persists after secondhand tobacco smoke has been emitted into air. It refers to the tobacco-related gases and particles that become embedded in materials, such as the carpet, walls, furniture, blankets, and toys. THS is not strictly smoke, but chemicals that adhere to surfaces from which they can be released back into the air, undergo chemical transformations and/or accumulate. Currently, the hazards of THS are not as well documented as the hazards of secondhand smoke (SHS). In this paper, we describe the distribution and chemical changes that occur as SHS is transformed into THS,more » studies of environmental contamination by THS, human exposure studies, toxicology studies using animal models and in vitro systems, possible approaches for avoiding exposure, remediation of THS contamination, and priorities for further research.« less

A new organic reference material, L-glutamic acid, USGS41a, for δ13C and δ15N measurements − a replacement for USGS41

USGS Publications Warehouse

Qi, Haiping; Coplen, Tyler B.; Mroczkowski, Stanley J.; Brand, Willi A.; Brandes, Lauren; Geilmann, Heike; Schimmelmann, Arndt

2016-01-01

RationaleThe widely used l-glutamic acid isotopic reference material USGS41, enriched in both 13C and 15N, is nearly exhausted. A new material, USGS41a, has been prepared as a replacement for USGS41.MethodsUSGS41a was prepared by dissolving analytical grade l-glutamic acid enriched in 13C and 15N together with l-glutamic acid of normal isotopic composition. The δ13C and δ15N values of USGS41a were directly or indirectly normalized with the international reference materials NBS 19 calcium carbonate (δ13CVPDB = +1.95 mUr, where milliurey = 0.001 = 1 ‰), LSVEC lithium carbonate (δ13CVPDB = −46.6 mUr), and IAEA-N-1 ammonium sulfate (δ15NAir = +0.43 mUr) and USGS32 potassium nitrate (δ15N = +180 mUr exactly) by on-line combustion, continuous-flow isotope-ratio mass spectrometry, and off-line dual-inlet isotope-ratio mass spectrometry.ResultsUSGS41a is isotopically homogeneous; the reproducibility of δ13C and δ15N is better than 0.07 mUr and 0.09 mUr, respectively, in 200-μg amounts. It has a δ13C value of +36.55 mUr relative to VPDB and a δ15N value of +47.55 mUr relative to N2 in air. USGS41 was found to be hydroscopic, probably due to the presence of pyroglutamic acid. Experimental results indicate that the chemical purity of USGS41a is substantially better than that of USGS41.ConclusionsThe new isotopic reference material USGS41a can be used with USGS40 (having a δ13CVPDB value of −26.39 mUr and a δ15NAir value of −4.52 mUr) for (i) analyzing local laboratory isotopic reference materials, and (ii) quantifying drift with time, mass-dependent isotopic fractionation, and isotope-ratio-scale contraction for isotopic analysis of biological and organic materials. Published in 2016. This article is a U.S. Government work and is in the public domain in the USA.

A new organic reference material, l-glutamic acid, USGS41a, for δ(13) C and δ(15) N measurements - a replacement for USGS41.

PubMed

Qi, Haiping; Coplen, Tyler B; Mroczkowski, Stanley J; Brand, Willi A; Brandes, Lauren; Geilmann, Heike; Schimmelmann, Arndt

2016-04-15

The widely used l-glutamic acid isotopic reference material USGS41, enriched in both (13) C and (15) N, is nearly exhausted. A new material, USGS41a, has been prepared as a replacement for USGS41. USGS41a was prepared by dissolving analytical grade l-glutamic acid enriched in (13) C and (15) N together with l-glutamic acid of normal isotopic composition. The δ(13) C and δ(15) N values of USGS41a were directly or indirectly normalized with the international reference materials NBS 19 calcium carbonate (δ(13) CVPDB = +1.95 mUr, where milliurey = 0.001 = 1 ‰), LSVEC lithium carbonate (δ(13) CVPDB = -46.6 mUr), and IAEA-N-1 ammonium sulfate (δ(15) NAir = +0.43 mUr) and USGS32 potassium nitrate (δ(15) N = +180 mUr exactly) by on-line combustion, continuous-flow isotope-ratio mass spectrometry, and off-line dual-inlet isotope-ratio mass spectrometry. USGS41a is isotopically homogeneous; the reproducibility of δ(13) C and δ(15) N is better than 0.07 mUr and 0.09 mUr, respectively, in 200-μg amounts. It has a δ(13) C value of +36.55 mUr relative to VPDB and a δ(15) N value of +47.55 mUr relative to N2 in air. USGS41 was found to be hydroscopic, probably due to the presence of pyroglutamic acid. Experimental results indicate that the chemical purity of USGS41a is substantially better than that of USGS41. The new isotopic reference material USGS41a can be used with USGS40 (having a δ(13) CVPDB value of -26.39 mUr and a δ(15) NAir value of -4.52 mUr) for (i) analyzing local laboratory isotopic reference materials, and (ii) quantifying drift with time, mass-dependent isotopic fractionation, and isotope-ratio-scale contraction for isotopic analysis of biological and organic materials. Published in 2016. This article is a U.S. Government work and is in the public domain in the USA. Published in 2016. This article is a U.S. Government work and is in the public domain in the USA.

Manganese oxide-based materials as electrochemical supercapacitor electrodes.

PubMed

Wei, Weifeng; Cui, Xinwei; Chen, Weixing; Ivey, Douglas G

2011-03-01

Electrochemical supercapacitors (ECs), characteristic of high power and reasonably high energy densities, have become a versatile solution to various emerging energy applications. This critical review describes some materials science aspects on manganese oxide-based materials for these applications, primarily including the strategic design and fabrication of these electrode materials. Nanostructurization, chemical modification and incorporation with high surface area, conductive nanoarchitectures are the three major strategies in the development of high-performance manganese oxide-based electrodes for EC applications. Numerous works reviewed herein have shown enhanced electrochemical performance in the manganese oxide-based electrode materials. However, many fundamental questions remain unanswered, particularly with respect to characterization and understanding of electron transfer and atomic transport of the electrochemical interface processes within the manganese oxide-based electrodes. In order to fully exploit the potential of manganese oxide-based electrode materials, an unambiguous appreciation of these basic questions and optimization of synthesis parameters and material properties are critical for the further development of EC devices (233 references).

DEMONSTRATION OF LEACHXS/ORCHESTRA CAPABILITIES BY SIMULATING CONSTITUENT RELEASE FROM A CEMENTITIOUS WASTE FORM IN A REINFORCED CONCRETE VAULT

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

Langton, C.; Meeussen, J.; Sloot, H.

2010-03-31

The objective of the work described in this report is to demonstrate the capabilities of the current version of LeachXS{trademark}/ORCHESTRA for simulating chemical behavior and constituent release processes in a range of applications that are relevant to the CBP. This report illustrates the use of LeachXS{trademark}/ORCHESTRA for the following applications: (1) Comparing model and experimental results for leaching tests for a range of cementitious materials including cement mortars, grout, stabilized waste, and concrete. The leaching test data includes liquid-solid partitioning as a function of pH and release rates based on laboratory column, monolith, and field testing. (2) Modeling chemical speciationmore » of constituents in cementitious materials, including liquid-solid partitioning and release rates. (3) Evaluating uncertainty in model predictions based on uncertainty in underlying composition, thermodynamic, and transport characteristics. (4) Generating predominance diagrams to evaluate predicted chemical changes as a result of material aging using the example of exposure to atmospheric conditions. (5) Modeling coupled geochemical speciation and diffusion in a three layer system consisting of a layer of Saltstone, a concrete barrier, and a layer of soil in contact with air. The simulations show developing concentration fronts over a time period of 1000 years. (6) Modeling sulfate attack and cracking due to ettringite formation. A detailed example for this case is provided in a separate article by the authors (Sarkar et al. 2010). Finally, based on the computed results, the sensitive input parameters for this type of modeling are identified and discussed. The chemical speciation behavior of substances is calculated for a batch system and also in combination with transport and within a three layer system. This includes release from a barrier to the surrounding soil as a function of time. As input for the simulations, the physical and chemical properties of the materials are used. The test cases used in this demonstration are taken from Reference Cases for Use in the Cementitious Barriers Partnership (Langton et al. 2009). Before it is possible to model the release of substances from stabilized waste or radioactive grout through a cement barrier into the engineered soil barrier or natural soil, the relevant characteristics of such materials must be known. Additional chemical characteristics are needed for mechanistic modeling to be undertaken, not just the physical properties relevant for modeling of transport. The minimum required properties for modeling are given in Section 5.0, 'Modeling the chemical speciation of a material'.« less

On the status of IAEA delta-13C stable isotope reference materials.

NASA Astrophysics Data System (ADS)

Assonov, Sergey; Groening, Manfred; Fajgelj, Ales

2016-04-01

For practical reasons all isotope measurements are performed on relative scales realized through the use of international, scale-defining primary standards. In fact these standards were materials (artefacts, similar to prototypes of meter and kg) selected based on their properties. The VPDB delta-13C scale is realised via two highest-level reference materials NBS19 and LSVEC, the first defining the scale and the second aimed to normalise lab-to-lab calibrations. These two reference materials (RMs) have been maintained and distributed by IAEA and NIST. The priority task is to maintain these primary RMs at the required uncertainty level, thus ensuring the long-term scale consistency. The second task is to introduce replacements when needed (currently for exhausted NBS19, work in progress). The next is to produce a family of lower level RMs (secondary, tertiary) addressing needs of various applications (with different delta values, in different physical-chemical forms) and their needs for the uncertainty; these RMs should be traceable to the highest level RMs. Presently three is a need for a range of RMs addressing existing and newly emerging analytical techniques (e.g. optical isotopic analysers) in form of calibrated CO2 gases with different delta-13C values. All that implies creating a family of delta-13C stable isotope reference materials. Presently IAEA works on replacement for NBS19 and planning new RMs. Besides, we found that LSVEC (introduced as second anchor for the VPDB scale in 2006) demonstrate a considerable scatter of its delta-13C value which implies a potential bias of the property value and increased value uncertainty which may conflict with uncertainty requirements for atmospheric monitoring. That is not compatible with the status of LSVEC, and therefore it should be replaced as soon as possible. The presentation will give an overview of the current status, the strategic plan of developments and the near future steps.

S1 certification of alpha-endosulfan, beta-endosulfan, and endosulfan sulfate in a candidate certified reference material (organochlorine pesticides in tea) by isotope dilution gas chromatography-mass spectrometry.

PubMed

Sin, Della Wai-Mei; Wong, Yee-Lok; Cheng, Eddie Chung-Chin; Lo, Man-Fung; Ho, Clare; Mok, Chuen-Shing; Wong, Siu-Kay

2015-04-01

This paper presents the certification of alpha-endosulfan, beta-endosulfan, and endosulfan sulfate in a candidate tea certified reference material (code: GLHK-11-03) according to the requirements of the ISO Guide 30 series. Certification of GLHK-11-03 was based on an analytical method purposely developed for the accurate measurement of the mass fraction of the target analytes in the material. An isotope dilution mass spectrometry (IDMS) method involving determination by (i) gas chromatography-negative chemical ionization-mass spectrometry (GC-NCI-MS) and (ii) gas chromatography-electron ionization-high-resolution mass spectrometry (GC-EI-HRMS) techniques was employed. The performance of the described method was demonstrated through participation in the key comparison CCQM-K95 "Mid-Polarity Analytes in Food Matrix: Mid-Polarity Pesticides in Tea" organized by the Consultative Committee for Amount of Substance-Metrology in Chemistry in 2012, where the study material was the same as the certified reference material (CRM). The values reported by using the developed method were in good agreement with the key comparison reference value (KCRV) assigned for beta-endosulfan (727 ± 14 μg kg(-1)) and endosulfan sulfate (505 ± 11 μg kg(-1)), where the degree of equivalence (DoE) values were 0.41 and 0.40, respectively. The certified values of alpha-endosulfan, beta-endosulfan, and endosulfan sulfate in dry mass fraction in GLHK-11-03 were 350, 730, and 502 μg kg(-1), respectively, and the respective expanded uncertainties, due to sample inhomogeneity, long-term and short-term stability, and variability in the characterization procedure, were 27 μg kg(-1) (7.8 %), 48 μg kg(-1) (6.6 %), and 33 μg kg(-1) (6.6 %).

Evaluation of Natural Products for Algicidal Properties

PubMed Central

Safferman, Robert S.; Morris, Mary-Ellen

1962-01-01

A procedure for the screening of antialgal substances has been described and evaluated with specific reference to microbial products. Data on the extracellular materials of 545 actinomycete and fungal isolates showed a wide distribution of agents having algicidal activities. Of these culture filtrates, 20.4% apparently had selective antagonistic effects against particular algal groups. A more comprehensive examination revealed that metabolic products from two actinomycete cultures exhibited properties that warrant further studies on their chemical and physiological characteristics. PMID:14495975

Establishment of a Plasma Melting Manufacturing Process for Production of Nickel-Base Alloys.

DTIC Science & Technology

1975-05-01

7.1 Conclusions 40 7.2 Recommendations 41 8.0 REFERENCES ^2 1 . . . -— - •- - — ■•- lin ■■ - - -- - 1 ^H , r...high nitrogen steel is similar in chemical com- position to the Nitronic series marketed by Armco Steel in the U.S.A. The plasmarc remelted material in...the cast condition displays good ductility and yield strength comparable to Armco’s nitrogen strengthened austenitic steel Nitronic ^0. The Soviet

Decentralized solar photovoltaic energy systems

NASA Astrophysics Data System (ADS)

Krupka, M. C.

1980-09-01

Emphasis was placed upon the selection and use of a model residential photovoltaic system to develop and quantify the necessary data. The model consists of a reference home located in Phoenix, AZ utilizing a unique solar cell array roof shingle combination. Silicon solar cells, rated at 13.5 percent efficiency at 28 C and 100 mW/sq cm insolation are used to generate 10 kW (peak). An all electric home is considered with lead acid battery storage, DC AC inversion and utility backup. The reference home is compared to others in regions of different insolation. It is suggested that solar cell materials production and fabrication may have the major environmental impact when comparing all facets of photovoltaic system usage. Fabrication of the various types of solar cell systems involves the need, handling, and transportation of many toxic and hazardous chemicals with attendant health and safety impacts. Increases in production of such materials as lead, antimony, sulfuric acid, copper, plastics, cadmium and gallium will be required should large scale usage of photovoltaic systems be implemented.

Plasma Processes for Semiconductor Fabrication

NASA Astrophysics Data System (ADS)

Hitchon, W. N. G.

1999-01-01

Plasma processing is a central technique in the fabrication of semiconductor devices. This self-contained book provides an up-to-date description of plasma etching and deposition in semiconductor fabrication. It presents the basic physics and chemistry of these processes, and shows how they can be accurately modeled. The author begins with an overview of plasma reactors and discusses the various models for understanding plasma processes. He then covers plasma chemistry, addressing the effects of different chemicals on the features being etched. Having presented the relevant background material, he then describes in detail the modeling of complex plasma systems, with reference to experimental results. The book closes with a useful glossary of technical terms. No prior knowledge of plasma physics is assumed in the book. It contains many homework exercises and serves as an ideal introduction to plasma processing and technology for graduate students of electrical engineering and materials science. It will also be a useful reference for practicing engineers in the semiconductor industry.

Effect of Inorganic Salts on the Volatility of Organic Acids

PubMed Central

2014-01-01

Particulate phase reactions between organic and inorganic compounds may significantly alter aerosol chemical properties, for example, by suppressing particle volatility. Here, chemical processing upon drying of aerosols comprised of organic (acetic, oxalic, succinic, or citric) acid/monovalent inorganic salt mixtures was assessed by measuring the evaporation of the organic acid molecules from the mixture using a novel approach combining a chemical ionization mass spectrometer coupled with a heated flow tube inlet (TPD-CIMS) with kinetic model calculations. For reference, the volatility, i.e. saturation vapor pressure and vaporization enthalpy, of the pure succinic and oxalic acids was also determined and found to be in agreement with previous literature. Comparison between the kinetic model and experimental data suggests significant particle phase processing forming low-volatility material such as organic salts. The results were similar for both ammonium sulfate and sodium chloride mixtures, and relatively more processing was observed with low initial aerosol organic molar fractions. The magnitude of low-volatility organic material formation at an atmospherically relevant pH range indicates that the observed phenomenon is not only significant in laboratory conditions but is also of direct atmospheric relevance. PMID:25369247

Chemistry of water collected from an unventilated drift, Yucca Mountain, Nevada

USGS Publications Warehouse

Marshall, B.D.; Oliver, T.A.; Peterman, Z.E.

2007-01-01

Water samples (referred to as puddle water samples) were collected from the surfaces of a conveyor belt and plastic sheeting in the unventilated portion of the Enhanced Characterization of the Repository Block (ECRB) Cross Drift in 2003 and 2005 at Yucca Mountain, Nevada. The chemistry of these puddle water samples is very different than that of pore water samples from borehole cores in the same region of the Cross Drift or than seepage water samples collected from the Exploratory Studies Facility tunnel in 2005. The origin of the puddle water is condensation on surfaces of introduced materials and its chemistry is dominated by components of the introduced materials. Large CO2 concentrations may be indicative of localized chemical conditions induced by biologic activity. ?? 2007 Materials Research Society.

Leaching from solid waste incineration ashes used in cement-treated base layers for pavements.

PubMed

Cai, Z; Bager, Dirch H; Christensen, T H

2004-01-01

Waste incineration bottom ash and treated flue gas cleaning products mixed with 2.5% of cement (50 kg/m3) were tested in the laboratory in terms of compressive strength and tank leaching tests over a 64-day period. Although the material displayed lower mechanical strength than a reference concrete, the strength still was sufficient for use as a base layer for roads. The metal content in the incineration-residue-based specimens was up to 100 times higher than in the reference concrete, suggesting that the mixed waste incineration residue should be used only for dedicated purposes. The leaching of Cl and Na was increased by a factor of 20-100 from the incineration-residue-based specimens as compared to the reference, while the leaching of K, Ca and SO4 was increased by a factor of 2-10. The leaching of heavy metals was also higher from the incineration-residue-based specimens than from the reference with respect to Cu (50 times), Cd, Pb and Zn (5 times), but not with respect to Cr and Ni. The leaching curves did only allow for a closer evaluation of the leaching process in a few cases. The physical retention of the constituents seemed to be the same in the reference as in the incineration-residue-based specimens. Heavy metal leaching was limited by enhanced chemical retention in the incineration-residue-specimens as compared to the reference. Since no quality criteria in terms of leaching from a monolithic material are currently available, the leaching issue must be evaluated case by case.

HPLC-APCI-MS analysis of triacylglycerols (TAGs) in historical pharmaceutical ointments from the eighteenth century.

PubMed

Saliu, Francesco; Modugno, Francesca; Orlandi, Marco; Colombini, Maria Perla

2011-10-01

The lipid fractions of residues from historical pharmaceutical ointments were analysed by reversed-phase liquid chromatography coupled with atmospheric pressure chemical ionization and mass spectrometer detection. The residues were contained in a series of historical apothecary jars, dating from the eighteenth century and conserved at the "Aboca Museum" in Sansepolcro (Arezzo, Italy) and at the pharmacy of the "Real Cartuja de Valldemossa" in Palma de Majorca (Spain). The analytical protocol was set up using a comparative study based on the evaluation of triacylglycerol (TAG) compositions in raw natural lipid materials and in laboratory-reproduced ointments. These ointments were prepared following pharmaceutical recipes reported in historical treatises and used as reference materials. The reference materials were also subjected to stress treatments in order to evaluate the modification occurring in the TAG profiles as an effect of ageing. TAGs were successfully detected in the reproduced formulations even in mixtures of up to ten ingredients and after harsh degradative treatments, and also in real historical samples. No particular interferences were detected from other non-lipid ingredients of the formulations. The TAG compositions detected in the historical ointments indicated a predominant use of olive oil and pig adipose material as lipid ingredients. The detection of a high level of tristearine and myristyl-palmitoyl-stearyl glycerol in two of the samples suggested the presence of a fatty material of a different origin (maybe a ruminant). On the basis of the positional isomer ratio, sn-PPO/sn-POP, it was possible to hypothesize an exclusive use of pig fat in one sample. We also evaluated the application of principal component analysis of TAG profiles as an approach for the multivariate statistical comparison of the reference and historical ointments.

Alkali Burn of the Ocular Surface Associated With a Commonly Used Antifog Agent for Eyewear: Two Cases and a Review of Previous Reports.

PubMed

Welling, John D; Pike, Evan C; Mauger, Thomas F

2016-02-01

To report 2 cases of ocular chemical burns associated with the use of a swim goggle antifog agent and to review the literature for this and similar antifog products. Case reports and systematic review of the medical literature, material safety data, product safety reports, and consumer reviews. Two males, one 46 years and the other 41 years, were referred to our clinic with chemical burns of the ocular surface after using the same goggle antifog agent while swimming in a triathlon. Both sustained significant epithelial defects. Fortunately, with prompt treatment, both of our patients returned to their baseline vision within a few weeks without suffering sight-threatening complications. These are the first cases of ocular chemical burn secondary to use of an eyewear antifog agent to be reported in the medical literature. Similar reports found in consumer forums suggest that our cases are not isolated and these products may have the potential to cause vision-threatening chemical burns.

Elemental composition of normal primary tooth enamel analyzed with XRMA and SIMS.

PubMed

Sabel, Nina; Dietz, Wolfram; Lundgren, Ted; Nietzsche, Sandor; Odelius, Hans; Rythén, Marianne; Rizell, Sara; Robertson, Agneta; Norén, Jörgen G; Klingberg, Gunilla

2009-01-01

There is an interest to analyze the chemical composition of enamel in teeth from patients with different developmental disorders or syndromes and evaluate possible differences compared to normal composition. For this purpose, it is essential to have reference material. The aim of this study was to, by means of X-ray micro analyses (XRMA) and secondary ion mass spectrometry (SIMS), present concentration gradients for C, O, P and Ca and F, Na, Mg, Cl, K and Sr in normal enamel of primary teeth from healthy individuals. 36 exfoliated primary teeth from 36 healthy children were collected, sectioned, and analyzed in the enamel and dentin with X-ray micro analyses for the content of C, O, P and Ca and F, Na MgCl, K and Sr. This study has supplied reference data for C, O, P and Ca in enamel in primary teeth from healthy subjects. No statistically significant differences in the elemental composition were found between incisors and molars.The ratio Ca/P is in concordance with other studies. Some elements have shown statistically significant differences between different levels of measurement. These results may be used as reference values for research on the chemical composition of enamel and dentin in primary teeth from patients with different conditions and/or syndromes.

Materials, Processes, and Facile Manufacturing for Bioresorbable Electronics: A Review.

PubMed

Yu, Xiaowei; Shou, Wan; Mahajan, Bikram K; Huang, Xian; Pan, Heng

2018-05-07

Bioresorbable electronics refer to a new class of advanced electronics that can completely dissolve or disintegrate with environmentally and biologically benign byproducts in water and biofluids. They have provided a solution to the growing electronic waste problem with applications in temporary usage of electronics such as implantable devices and environmental sensors. Bioresorbable materials such as biodegradable polymers, dissolvable conductors, semiconductors, and dielectrics are extensively studied, enabling massive progress of bioresorbable electronic devices. Processing and patterning of these materials are predominantly relying on vacuum-based fabrication methods so far. However, for the purpose of commercialization, nonvacuum, low-cost, and facile manufacturing/printing approaches are the need of the hour. Bioresorbable electronic materials are generally more chemically reactive than conventional electronic materials, which require particular attention in developing the low-cost manufacturing processes in ambient environment. This review focuses on material reactivity, ink availability, printability, and process compatibility for facile manufacturing of bioresorbable electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

EB and EUV lithography using inedible cellulose-based biomass resist material

NASA Astrophysics Data System (ADS)

Takei, Satoshi; Hanabata, Makoto; Oshima, Akihiro; Kashiwakura, Miki; Kozawa, Takahiro; Tagawa, Seiichi

2016-03-01

The validity of our approach of inedible cellulose-based resist material derived from woody biomass has been confirmed experimentally for the use of pure water in organic solvent-free water spin-coating and tetramethylammonium hydroxide(TMAH)-free water-developable techniques of eco-conscious electron beam (EB) and extreme-ultraviolet (EUV) lithography. The water developable, non-chemically amplified, high sensitive, and negative tone resist material in EB and EUV lithography was developed for environmental affair, safety, easiness of handling, and health of the working people. The inedible cellulose-based biomass resist material was developed by replacing the hydroxyl groups in the beta-linked disaccharides with EB and EUV sensitive groups. The 50-100 nm line and space width, and little footing profiles of cellulose-based biomass resist material on hardmask and layer were resolved at the doses of 10-30 μC/cm2. The eco-conscious lithography techniques was referred to as green EB and EUV lithography using inedible cellulose-based biomass resist material.

Comparative simulation study of chemical synthesis of functional DADNE material.

PubMed

Liu, Min Hsien; Liu, Chuan Wen

2017-01-01

Amorphous molecular simulation to model the reaction species in the synthesis of chemically inert and energetic 1,1-diamino-2,2-dinitroethene (DADNE) explosive material was performed in this work. Nitromethane was selected as the starting reactant to undergo halogenation, nitration, deprotonation, intermolecular condensation, and dehydration to produce the target DADNE product. The Materials Studio (MS) forcite program allowed fast energy calculations and reliable geometric optimization of all aqueous molecular reaction systems (0.1-0.5 M) at 283 K and 298 K. The MS forcite-computed and Gaussian polarizable continuum model (PCM)-computed results were analyzed and compared in order to explore feasible reaction pathways under suitable conditions for the synthesis of DADNE. Through theoretical simulation, the findings revealed that synthesis was possible, and a total energy barrier of 449.6 kJ mol -1 needed to be overcome in order to carry out the reaction according to MS calculation of the energy barriers at each stage at 283 K, as shown by the reaction profiles. Local analysis of intermolecular interaction, together with calculation of the stabilization energy of each reaction system, provided information that can be used as a reference regarding molecular integrated stability. Graphical Abstract Materials Studio software has been suggested for the computation and simulation of DADNE synthesis.

The T-TEL Method for Assessing Water, Sediment, and Chemical Connectivity

NASA Astrophysics Data System (ADS)

Ali, Genevieve; Oswald, Claire; Spence, Christopher; Wellen, Christopher

2018-02-01

The concept of connectivity has been the subject of a great deal of recent research and provided new insights and breakthroughs on runoff generation processes and watershed biogeochemistry. However, a consensus definition and cohesive mathematical framework that would permit the consistent quantification of hydrologic connectivity, the examination of the interrelationships between water and material (e.g., sediment and chemicals) connectivity, or rigorous study intercomparison, have not been presented by the water resource community. Building on previous conceptualizations and site-specific or process-specific metrics, this paper aimed to review the current state of science on hydrologic connectivity and its role in water-mediated connectivity of material such as solutes and sediment before introducing a conceptual and a mathematical connectivity assessment framework. These frameworks rely on the quantification of Time scales, Thresholds, Excesses and Losses related to water and water-mediated material transport dynamics and are referred to as the T-TEL method. Through a small case study, we show how the T-TEL method allows a wide range of properties to be quantified, namely the occurrence, frequency, duration, magnitude, and spatial extent of water and water-mediated material connectivity. We also propose a research agenda to refine the T-TEL method and ensure its usefulness for facilitating the research and management of connectivity in pristine and human-impacted landscapes.

Composite material pedestrian bridge for the Port of Bilbao

NASA Astrophysics Data System (ADS)

Gorrochategui, I.; Manteca, C.; Yedra, A.; Miguel, R.; del Valle, F. J.

2012-09-01

Composite materials in comparison to traditional ones, steel and concrete, present advantages in civil works construction: lower weight, higher corrosion resistance (especially in the marine environment), and ease of installation. On the other hand, fabrication costs are generally higher. This is the reason why this technology is not widely used. This work illustrates the process followed for the design, fabrication and installation of a composite material pedestrian bridge in the Port of Bilbao (Northern Spain). In order to reduce the price of the bridge, the use of low cost materials was considered, therefore polyester resin was selected as the polymeric matrix, and glass fibres as reinforcement. Two material choices were studied. Currently in the market there is high availability of carbon nanoparticles: carbon nanotubes (CNT) and carbon nanofibres (CNF), so it was decided to add this kind of nanoparticles to the reference material with the objective of improving its mechanical properties. The main challenge was to transfer the CNT and CNF excellent properties to the polymeric matrix. This requires dispersing the nanoreinforcements as individual particles in the polymeric matrix to avoid agglomerates. For this reason, an advanced high shear forces dispersion technique (called "three roll mills") was studied and implemented. Also surface functionalization of the nanoreinforcements by chemical treatment was carried out. Herein, a comparison is performed between both materials studied, the explanation of the employment of the reference material (without nanoreinforcement) as the one used in the fabrication of the pedestrian bridge is justified and, finally, the main characteristics of the final design of the structural element are described.

Recent progress in the growth and applications of graphene as a smart material: A review

NASA Astrophysics Data System (ADS)

Aissa, Brahim; Memon, Nasir; Ali, Adnan; Khraisheh, Marwan

2015-09-01

Innovative breakthroughs in fundamental research and industrial applications of graphene material have made its mass and low-cost production a necessary step toward its real world applications. This one-atom thick crystal of carbon, gathers a set of unique physico-chemical properties, ranging from its extreme mechanical behavior to its exceptional electrical and thermal conductivities, which are making graphene as a serious alternative to replace many conventional materials for various applications. In this review paper, we highlight the most important experimental results on the synthesis of graphene material, its emerging properties with reference to its smart applications. We discuss the possibility to successfully integrating graphene directly into device, enabling thereby the realization of a wide range of applications, including actuation, photovoltaic, thermoelectricity, shape memory, self-healing, electrorheology and space missions. The future outlook of graphene is also considered and discussed.

Controlled assembly of jammed colloidal shells on fluid droplets.

PubMed

Subramaniam, Anand Bala; Abkarian, Manouk; Stone, Howard A

2005-07-01

Assembly of colloidal particles on fluid interfaces is a promising technique for synthesizing two-dimensional microcrystalline materials useful in fields as diverse as biomedicine, materials science, mineral flotation and food processing. Current approaches rely on bulk emulsification methods, require further chemical and thermal treatments, and are restrictive with respect to the materials used. The development of methods that exploit the great potential of interfacial assembly for producing tailored materials have been hampered by the lack of understanding of the assembly process. Here we report a microfluidic method that allows direct visualization and understanding of the dynamics of colloidal crystal growth on curved interfaces. The crystals are periodically ejected to form stable jammed shells, which we refer to as colloidal armour. We propose that the energetic barriers to interfacial crystal growth and organization can be overcome by targeted delivery of colloidal particles through hydrodynamic flows. Our method allows an unprecedented degree of control over armour composition, size and stability.

Controlled assembly of jammed colloidal shells on fluid droplets

NASA Astrophysics Data System (ADS)

Subramaniam, Anand Bala; Abkarian, Manouk; Stone, Howard A.

2005-07-01

Assembly of colloidal particles on fluid interfaces is a promising technique for synthesizing two-dimensional microcrystalline materials useful in fields as diverse as biomedicine, materials science, mineral flotation and food processing. Current approaches rely on bulk emulsification methods, require further chemical and thermal treatments, and are restrictive with respect to the materials used. The development of methods that exploit the great potential of interfacial assembly for producing tailored materials have been hampered by the lack of understanding of the assembly process. Here we report a microfluidic method that allows direct visualization and understanding of the dynamics of colloidal crystal growth on curved interfaces. The crystals are periodically ejected to form stable jammed shells, which we refer to as colloidal armour. We propose that the energetic barriers to interfacial crystal growth and organization can be overcome by targeted delivery of colloidal particles through hydrodynamic flows. Our method allows an unprecedented degree of control over armour composition, size and stability.

MOFabric: Electrospun Nanofiber Mats from PVDF/UiO-66-NH2 for Chemical Protection and Decontamination.

PubMed

Lu, Annie Xi; McEntee, Monica; Browe, Matthew A; Hall, Morgan G; DeCoste, Jared B; Peterson, Gregory W

2017-04-19

Textiles capable of capture and detoxification of toxic chemicals, such as chemical-warfare agents (CWAs), are of high interest. Some metal-organic frameworks (MOFs) exhibit superior reactivity toward CWAs. However, it remains a challenge to integrate powder MOFs into engineered materials like textiles, while retaining functionalities like crystallinity, adsorptivity, and reactivity. Here, we present a simple method of electrospinning UiO-66-NH 2 , a zirconium MOF, with polyvinylidene fluoride (PVDF). The electrospun composite, which we refer to as "MOFabric", exhibits comparable crystal patterns, surface area, chlorine uptake, and simulant hydrolysis to powder UiO-66-NH 2 . The MOFabric is also capable of breaking down GD (O-pinacolyl methylphosphonofluoridae) faster than powder UiO-66-NH 2. Half-life of GD monitored by solid-state NMR for MOFabric is 131 min versus 315 min on powder UiO-66-NH 2 .

Determination of chemical purity and isotopic composition of natural and carbon-13-labeled arsenobetaine bromide standards by quantitative(1)H-NMR.

PubMed

Le, Phuong-Mai; Ding, Jianfu; Leek, Donald M; Mester, Zoltan; Robertson, Gilles; Windust, Anthony; Meija, Juris

2016-10-01

In this study, we report the characterization of three arsenobetaine-certified reference materials by quantitative NMR. We have synthesized an arsenobetaine bromide high-purity standard of natural isotopic composition (ABET-1) and two carbon-13-labeled isotopic standards (BBET-1 and CBET-1). Assignments of the chemical purity and isotopic composition are not trivial in the case of arsenobetaine, and in this study we utilized quantitative(1)H-NMR techniques for the determination of the mass fractions (chemical purity). The isotopic purity of all three standards was also assessed by NMR from the carbon-13 satellite signals. The standards are non-hygroscopic, high-purity (ca. 0.99 g/g), and the carbon-13 enrichment for both isotopic standards is x((13)C)≈0.99. These standards are designed for use as primary calibrators for mass spectrometric determination of arsenobetaine in environmental samples.

Screening of Chemical Dyes in Traditional Chinese Medicine by HPTLC-MS.

PubMed

He, Fengyan; He, Yi; Zheng, Xiaowei; Wang, Ruizhong; Lu, Jing; Dai, Zhong; Ma, Shuangcheng

2018-05-01

It has been uncovered that chemical dyes are illegally used in traditional Chinese medicines to brighten color and cover up inferiority, which threaten the safety of patients. In the present study, an HPTLC-MS method was developed for the effective screening of 11 chemical dyes (Sudan I, II, III, and IV; 808 Scarlet; Sudan Red 7B; malachite green; Basic Orange 2; auramine; Orange II; and erythrosine) in traditional Chinese medicine (TCM) raw materials and Chinese patent medicines. Firstly, unwashed HPTLC plates were chosen by comparing the background signals of the TLC plates used directly and prewashed with analytical grade and HPLC grade solvents. Twice developments were conducted to isolate chemical dyes of different polarity. Possible adulterants were preliminarily identified by comparing Rf values and in situ UV-Vis spectra with those of the references. Further confirmation was conducted by tandem MS analysis via an elution head-based TLC-MS interface. Sudan I and IV, 808 Scarlet, and Orange II were successfully detected in eight batches of TCM. The proposed method could be applied as a reliable technology for the screening of chemical dyes in TCM.

Milk and serum standard reference materials for monitoring organic contaminants in human samples.

PubMed

Schantz, Michele M; Eppe, Gauthier; Focant, Jean-François; Hamilton, Coreen; Heckert, N Alan; Heltsley, Rebecca M; Hoover, Dale; Keller, Jennifer M; Leigh, Stefan D; Patterson, Donald G; Pintar, Adam L; Sharpless, Katherine E; Sjödin, Andreas; Turner, Wayman E; Vander Pol, Stacy S; Wise, Stephen A

2013-02-01

Four new Standard Reference Materials (SRMs) have been developed to assist in the quality assurance of chemical contaminant measurements required for human biomonitoring studies, SRM 1953 Organic Contaminants in Non-Fortified Human Milk, SRM 1954 Organic Contaminants in Fortified Human Milk, SRM 1957 Organic Contaminants in Non-Fortified Human Serum, and SRM 1958 Organic Contaminants in Fortified Human Serum. These materials were developed as part of a collaboration between the National Institute of Standards and Technology (NIST) and the Centers for Disease Control and Prevention (CDC) with both agencies contributing data used in the certification of mass fraction values for a wide range of organic contaminants including polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, polybrominated diphenyl ether (PBDE) congeners, and polychlorinated dibenzo-p-dioxin (PCDD) and dibenzofuran (PCDF) congeners. The certified mass fractions of the organic contaminants in unfortified samples, SRM 1953 and SRM 1957, ranged from 12 ng/kg to 2200 ng/kg with the exception of 4,4'-DDE in SRM 1953 at 7400 ng/kg with expanded uncertainties generally <14 %. This agreement suggests that there were no significant biases existing among the multiple methods used for analysis.

Milk and serum standard reference materials for monitoring organic contaminants in human samples

PubMed Central

Eppe, Gauthier; Focant, Jean-François; Hamilton, Coreen; Heckert, N. Alan; Heltsley, Rebecca M.; Hoover, Dale; Keller, Jennifer M.; Leigh, Stefan D.; Patterson, Donald G.; Pintar, Adam L.; Sharpless, Katherine E.; Sjödin, Andreas; Turner, Wayman E.; Vander Pol, Stacy S.; Wise, Stephen A.

2016-01-01

Four new Standard Reference Materials (SRMs) have been developed to assist in the quality assurance of chemical contaminant measurements required for human biomonitoring studies, SRM 1953 Organic Contaminants in Non-Fortified Human Milk, SRM 1954 Organic Contaminants in Fortified Human Milk, SRM 1957 Organic Contaminants in Non-Fortified Human Serum, and SRM 1958 Organic Contaminants in Fortified Human Serum. These materials were developed as part of a collaboration between the National Institute of Standards and Technology (NIST) and the Centers for Disease Control and Prevention (CDC) with both agencies contributing data used in the certification of mass fraction values for a wide range of organic contaminants including polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, polybrominated diphenyl ether (PBDE) congeners, and polychlorinated dibenzo-p-dioxin (PCDD) and dibenzofuran (PCDF) congeners. The certified mass fractions of the organic contaminants in unfortified samples, SRM 1953 and SRM 1957, ranged from 12 ng/kg to 2200 ng/kg with the exception of 4,4′-DDE in SRM 1953 at 7400 ng/kg with expanded uncertainties generally <14 %. This agreement suggests that there were no significant biases existing among the multiple methods used for analysis. PMID:23132544

Metabolite profiling of a NIST Standard Reference Material for human plasma (SRM 1950): GC-MS, LC-MS, NMR, and clinical laboratory analyses, libraries, and web-based resources.

PubMed

Simón-Manso, Yamil; Lowenthal, Mark S; Kilpatrick, Lisa E; Sampson, Maureen L; Telu, Kelly H; Rudnick, Paul A; Mallard, W Gary; Bearden, Daniel W; Schock, Tracey B; Tchekhovskoi, Dmitrii V; Blonder, Niksa; Yan, Xinjian; Liang, Yuxue; Zheng, Yufang; Wallace, William E; Neta, Pedatsur; Phinney, Karen W; Remaley, Alan T; Stein, Stephen E

2013-12-17

Recent progress in metabolomics and the development of increasingly sensitive analytical techniques have renewed interest in global profiling, i.e., semiquantitative monitoring of all chemical constituents of biological fluids. In this work, we have performed global profiling of NIST SRM 1950, "Metabolites in Human Plasma", using GC-MS, LC-MS, and NMR. Metabolome coverage, difficulties, and reproducibility of the experiments on each platform are discussed. A total of 353 metabolites have been identified in this material. GC-MS provides 65 unique identifications, and most of the identifications from NMR overlap with the LC-MS identifications, except for some small sugars that are not directly found by LC-MS. Also, repeatability and intermediate precision analyses show that the SRM 1950 profiling is reproducible enough to consider this material as a good choice to distinguish between analytical and biological variability. Clinical laboratory data shows that most results are within the reference ranges for each assay. In-house computational tools have been developed or modified for MS data processing and interactive web display. All data and programs are freely available online at http://peptide.nist.gov/ and http://srmd.nist.gov/ .

Reference earth orbital research and applications investigations (blue book). Volume 6: Materials sciences and manufacturing

NASA Technical Reports Server (NTRS)

1971-01-01

The development of commercial manufacturing and research activities in space is discussed. The capability is to be installed in space stations in order to exploit the extended free fall which makes many novel manipulations of materials possible and alters the behavior of certain chemical and physical processes. The broad objectives are: (1) to develop technical basis required for commercial use of manned space facilities, (2) to provide indirect economic benefits by exploiting advantages of space laboratory facilities to solve critical experimental problems, and (3) to initiate manufacturing operations in space by private enterprise for commercial purposes and by agencies of the Government for public purposes.

Progress in Ion Transport Membranes for Gas Separation Applications

NASA Astrophysics Data System (ADS)

Bose, Arun C.; Stiegel, Gary J.; Armstrong, Phillip A.; Halper, Barry J.; (Ted) Foster, E. P.

This chapter describes the evolution and advances of ion transport membranes for gas separation applications, especially separation of oxygen from air. In partnership with the US Department of Energy (DOE), Air Products and Chemicals, Inc. (Air Products) successfully developed a novel class of mixed ion-electron conducting materials and membrane architecture. These novel materials are referred to as ion transport membranes (ITM). Generically, ITMs consist of modified perovskite and brownmillerite oxide solid electrolytes and provide high oxygen anion and electron conduction typically at high temperatures driven by an oxygen potential gradient without the need for external power. The partial pressure ratio across the ITM layer creates the driving force for oxygen separation.

Non-invasive NMR stratigraphy of a multi-layered artefact: an ancient detached mural painting.

PubMed

Di Tullio, Valeria; Capitani, Donatella; Presciutti, Federica; Gentile, Gennaro; Brunetti, Brunetto Giovanni; Proietti, Noemi

2013-10-01

NMR stratigraphy was used to investigate in situ, non-destructively and non-invasively, the stratigraphy of hydrogen-rich layers of an ancient Nubian detached mural painting. Because of the detachment procedure, a complex multi-layered artefact was obtained, where, besides layers of the original mural painting, also the materials used during the procedure all became constitutive parts of the artefact. NMR measurements in situ enabled monitoring of the state of conservation of the artefact and planning of minimum representative sampling to validate results obtained in situ by solid-state NMR analysis of the samples. This analysis enabled chemical characterization of all organic materials. Use of reference compounds and prepared specimens assisted data interpretation.

Optical polarimetry: Instrumentation and applications; Proceedings of the Seminar, San Diego, Calif., August 23, 24, 1977

NASA Technical Reports Server (NTRS)

Azzam, R. M. A. (Editor); Coffeen, D. L.

1977-01-01

Instrumentation used in optical polarimetry is discussed with reference to high-resolution spectropolarimetry, an orbiter cloud photopolarimeter, X-ray polarimeters, and the design of a self-nulling ellipsometer. Consideration is given to surface and thin-film ellipsometry noting studies of electrochemical surface layers, surface anisotropy, polish layers on infrared window materials, and anodic films. Papers on biological, chemical, and physical polarimetry are presented including birefringence in biological materials, vibrational optical activity, and the optical determination of the thermodynamic phase diagram of a metamagnet. Remote sensing is discussed in terms of polarization imagery, the optical polarimetry of particulate surfaces, and techniques and applications of elliptical polarimetry in astronomy and atmospheric studies.

Effect of Transitioning from Standard Reference Material 2806a to Standard Reference Material 2806b for Light Obscuration Particle Countering

DTIC Science & Technology

2016-04-01

Reference Material 2806b for Light Obscuration Particle Countering April 2016 UNCLASSIFIED UNCLASSIFIED Joel Schmitigal 27809 Standard Form 298 (Rev...Standard Reference Material 2806b for Light Obscuration Particle Countering 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6...Reference Material 2806a to Standard Reference Material 2806b for Light Obscuration Particle Countering Joel Schmitigal Force Projection

Analytical chemistry of PCBs

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

Erickson, M.D.

Analytical Chemistry of PCBs offers a review of physical, chemical, commercial, environmental and biological properties of PCBs. It also defines and discusses six discrete steps of analysis: sampling, extraction, cleanup, determination, data reduction, and quality assurance. The final chapter provides a discussion on collaborative testing - the ultimate step in method evaluation. Dr. Erickson also provides a bibliography of over 1200 references, critical reviews of primary literature, and five appendices which present ancillary material on PCB nomen-clature, physical properties, composition of commercial mixtures, mass spectra characteristics, and PGC/ECD chromatograms.

BCN Graphene as Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

DTIC Science & Technology

2012-01-01

annealing GO in the presence of boric acid and ammonia. The resultant BCN graphene was shown to have superior electrocatalytic activities to the commercial...graphene samples of different chemical compositions, along with the mixture of GO and boric acid (B-GO) starting material as reference. Comparing with the...in addition to B into GO by thermal annealing in the presence of boric acid and ammonia. Like VA-BCN nanotubes,[15] the presence of a O1s peak in the

Workshop on standards in biomass for energy and chemicals: proceedings

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

Milne, T.A.

1984-11-01

In the course of reviewing standards literature, visiting prominent laboratories and research groups, attending biomass meetings and corresponding widely, a whole set of standards needs was identified, the most prominent of which were: biomass standard reference materials, research materials and sample banks; special collections of microorganisms, clonal material, algae, etc.; standard methods of characterization of substrates and biomass fuels; standard tests and methods for the conversion and end-use of biomass; standard protocols for the description, harvesting, preparation, storage, and measurement of productivity of biomass materials in the energy context; glossaries of terms; development of special tests for assay of enzymaticmore » activity and related processes. There was also a recognition of the need for government, professional and industry support of concensus standards development and the dissemination of information on standards. Some 45 biomass researchers and managers met with key NBS staff to identify and prioritize standards needs. This was done through three working panels: the Panel on Standard Reference Materials (SRM's), Research Materials (RM's), and Sample Banks; the Panel on Production and Characterization; and the Panel on Tests and Methods for Conversion and End Use. This report gives a summary of the action items in standards development recommended unanimously by the workshop attendees. The proceedings of the workshop, and an appendix, contain an extensive written record of the findings of the workshop panelists and others regarding presently existing standards and standards issues and needs. Separate abstracts have been prepared for selected papers for inclusion in the Energy Database.« less

The interdependence between screening methods and screening libraries.

PubMed

Shelat, Anang A; Guy, R Kiplin

2007-06-01

The most common methods for discovery of chemical compounds capable of manipulating biological function involves some form of screening. The success of such screens is highly dependent on the chemical materials - commonly referred to as libraries - that are assayed. Classic methods for the design of screening libraries have depended on knowledge of target structure and relevant pharmacophores for target focus, and on simple count-based measures to assess other properties. The recent proliferation of two novel screening paradigms, structure-based screening and high-content screening, prompts a profound rethink about the ideal composition of small-molecule screening libraries. We suggest that currently utilized libraries are not optimal for addressing new targets by high-throughput screening, or complex phenotypes by high-content screening.

Chemistry and physics of a single atomic layer: strategies and challenges for functionalization of graphene and graphene-based materials.

PubMed

Yan, Liang; Zheng, Yue Bing; Zhao, Feng; Li, Shoujian; Gao, Xingfa; Xu, Bingqian; Weiss, Paul S; Zhao, Yuliang

2012-01-07

Graphene has attracted great interest for its superior physical, chemical, mechanical, and electrical properties that enable a wide range of applications from electronics to nanoelectromechanical systems. Functionalization is among the significant vectors that drive graphene towards technological applications. While the physical properties of graphene have been at the center of attention, we still lack the knowledge framework for targeted graphene functionalization. In this critical review, we describe some of the important chemical and physical processes for graphene functionalization. We also identify six major challenges in graphene research and give perspectives and practical strategies for both fundamental studies and applications of graphene (315 references). This journal is © The Royal Society of Chemistry 2012

Lubrication handbook for use in the space industry. Part A: Solid lubricants. Part B: Liquid lubricants

NASA Technical Reports Server (NTRS)

Campbell, M. E.; Thompson, M. B.

1972-01-01

This handbook provides a ready reference for many of the solid and liquid lubricants used in the space industry. Lubricants and lubricant properties are arranged systematically so that designers, engineers, and maintenance personnel in the space industry can conveniently locate data needed for their work. The handbook is divided into two major parts. Part A is a compilation of chemical and physical property data of more than 250 solid lubricants, bonded solid lubricants, dispersions and composites. Part B is a compilation of chemical and physical property data of more than 250 liquid lubricants, greases, oils, compounds and fluids. The listed materials cover a broad spectrum, from manufacturing and ground support to hardware applications for missiles and spacecraft.

High performance solid and liquid lubricants: An industrial guide

NASA Technical Reports Server (NTRS)

Mcmurtrey, Ernest L.

1987-01-01

This handbook is intended to provide a ready reference for many of the solid and liquid lubricants used in the space industry. Lubricants and lubricant properties are arranged systematically so that designers, engineers, and maintenance personnel can conveniently locate data needed for their work. This handbook is divided into two major parts (A and B). Part A is a compilation of solid lubricant suppliers information on chemical and physical property of data of more than 250 solid lubricants, bonded solid lubricants, dispersions, and composites. Part B is a compilation of chemical and physical property data of more than 250 liquid lubricants, greases, oils, compounds, and fluids. The listed materials cover a broad spectrum from manufacturing and ground support to hardware applications of spacecraft.

Unraveling the antibacterial mode of action of a clay from the Colombian Amazon.

PubMed

Londono, Sandra Carolina; Williams, Lynda B

2016-04-01

Natural antibacterial clays can inhibit growth of human pathogens; therefore, understanding the antibacterial mode of action may lead to new applications for health. The antibacterial modes of action have shown differences based on mineralogical constraints. Here we investigate a natural clay from the Colombian Amazon (AMZ) known to the Uitoto natives as a healing clay. The physical and chemical properties of the AMZ clay were compared to standard reference materials: smectite (SWy-1) and kaolinite (API #5) that represent the major minerals in AMZ. We tested model Gram-negative (Escherichia coli ATCC #25922) and Gram-positive (Bacillus subtilis ATCC #6633) bacteria to assess the clay's antibacterial effectiveness against different bacterial types. The chemical and physical changes in the microbes were examined using bioimaging and mass spectrometry of clay digests and aqueous leachates. Results indicate that a single dose of AMZ clay (250 mg/mL) induced a 4-6 order of magnitude reduction in cell viability, unlike the reference clays that did not impact bacterial survival. AMZ clay possesses a relatively high specific surface area (51.23 m(2)/g) and much higher total surface area (278.82 m(2)/g) than the reference clays. In aqueous suspensions (50 mg clay/mL water), soluble metals are released and the minerals buffer fluid pH between 4.1 and 4.5. We propose that the clay facilitates chemical interactions detrimental to bacteria by absorbing nutrients (e.g., Mg, P) and potentially supplying metals (e.g., Al) toxic to bacteria. This study demonstrates that native traditional knowledge can direct scientific studies.

Covalent adaptable networks: smart, reconfigurable and responsive network systems.

PubMed

Kloxin, Christopher J; Bowman, Christopher N

2013-09-07

Covalently crosslinked materials, classically referred to as thermosets, represent a broad class of elastic materials that readily retain their shape and molecular architecture through covalent bonds that are ubiquitous throughout the network structure. These materials, in particular in their swollen gel state, have been widely used as stimuli responsive materials with their ability to change volume in response to changes in temperature, pH, or other solvent conditions and have also been used in shape memory applications. However, the existence of a permanent, unalterable shape and structure dictated by the covalently crosslinked structure has dramatically limited their abilities in this and many other areas. These materials are not generally reconfigurable, recyclable, reprocessable, and have limited ability to alter permanently their stress state, topography, topology, or structure. Recently, a new paradigm has been explored in crosslinked polymers - that of covalent adaptable networks (CANs) in which covalently crosslinked networks are formed such that triggerable, reversible chemical structures persist throughout the network. These reversible covalent bonds can be triggered through molecular triggers, light or other incident radiation, or temperature changes. Upon application of this stimulus, rather than causing a temporary shape change, the CAN structure responds by permanently adjusting its structure through either reversible addition/condensation or through reversible bond exchange mechanisms, either of which allow the material to essentially reequilibrate to its new state and condition. Here, we provide a tutorial review on these materials and their responsiveness to applied stimuli. In particular, we review the broad classification of these materials, the nature of the chemical bonds that enable the adaptable structure, how the properties of these materials depend on the reversible structure, and how the application of a stimulus causes these materials to alter their shape, topography, and properties.

The Fate of Chemical Warfare Agents in the Environment

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

Talmage, Sylvia Smith; Munro, Nancy B; Watson, Annetta Paule

2007-01-01

Chemical Warfare Agents, Second Edition has been totally revised since the successful first edition and expanded to about three times the length, with many new chapters and much more in-depth consideration of all the topics. The chapters have been written by distinguished international experts in various aspects of chemical warfare agents and edited by an experienced team to produce a clear review of the field. The book now contains a wealth of material on the mechanisms of action of the major chemical warfare agents, including the nerve agent cyclosarin, formally considered to be of secondary importance, as well as ricinmore » and abrin. Chemical Warfare Agents, Second Edition discusses the physico-chemical properties of chemical warfare agents, their dispersion and fate in the environment, their toxicology and management of their effects on humans, decontamination and protective equipment. New chapters cover the experience gained after the use of sarin to attack travelers on the Tokyo subway and how to deal with the outcome of the deployment of riot control agents such as CS gas. This book provides a comprehensive review of chemical warfare agents, assessing all available evidence regarding the medical, technical and legal aspects of their use. It is an invaluable reference work for physicians, public health planners, regulators and any other professionals involved in this field.« less

Recent developments in the field of environmental reference materials at the JRC Ispra.

PubMed

Muntau, H

2001-06-01

The production of reference materials for environmental analysis started in the Joint Research Centre at Ispra/Italy in 1972 with the objective of later certification by the BCR, but for obvious budget reasons only a fraction of the total production achieved at Ispra ever reached certification level, although all materials were produced according to the severe quality requirements requested for certified reference materials. Therefore, the materials not destinated to certification are in growing demand as inter-laboratory test materials and as laboratory reference materials, for internal quality control, e.g., by control charts. The history of reference material production within the Joint Research Centre is briefly reviewed and the latest additions described. New developments such as micro-scale reference materials intended for analytical methods requiring sample intakes at milligram or sub-milligram level and therefor not finding supply on the reference material market, and "wet" environmental reference materials, which meet more precisely the "real-world" environmental analysis conditions, are presented and the state-of-the-art discussed.

Establishing physico-chemical reference conditions in Mediterranean streams according to the European Water Framework Directive.

PubMed

Sánchez-Montoya, María del Mar; Arce, Maria Isabel; Vidal-Abarca, María Rosario; Suárez, María Luisa; Prat, Narcís; Gómez, Rosa

2012-05-01

Type-specific physico-chemical reference conditions are required for the assessment of ecological status in the Water Framework Directive context, similarly to the biological and hydro-morphological elements. This directive emphasises that natural variability of quality elements in high status (reference condition) needs to be quantified. Mediterranean streams often present a marked seasonal pattern in hydrological, biological and geochemical processes which could affect physico-chemical reference conditions. This study establishes general physico-chemical reference conditions (oxygenation, nutrient, salinity and acidification conditions) for different Mediterranean stream types. 116 potential reference sites located in 23 Mediterranean catchments in Spain were sampled in spring, summer and autumn in 2003. All sites were subjected to a screening method for the selection of reference sites in Mediterranean streams (Mediterranean Reference Criteria) and classified using a pre-established stream typology that establishes five different stream types (temporary streams, evaporite-calcareous at medium altitude, siliceous headwaters, calcareous headwaters and large watercourses). Reference conditions (reference value and reference threshold equivalents to high-good class boundary) were calculated using two different methods according to the availability of reference sites: the reference site 75th percentile approach of all reference sites and the 25th percentile of the population approach. The majority of the studied potential reference sites (76 out of 116) were selected as reference sites. Regarding type-specific reference conditions, only siliceous headwaters could be considered different from the rest of stream types because lower conductivity and pH. All reference stream types presented seasonal differences as regards some parameters, except for temporary streams due to the high natural variation of this stream type. For those parameters which presented seasonal differences in a specific stream type, the least restrictive values were proposed as reference conditions. Copyright © 2012 Elsevier Ltd. All rights reserved.

The revenge of time: fungal deterioration of cultural heritage with particular reference to books, paper and parchment.

PubMed

Sterflinger, Katja; Pinzari, Flavia

2012-03-01

Hyphomycetous fungi - so called 'mould'- are the most important agents of biodeterioration in museums, museums' storage rooms, in libraries, collections and restoration studios. Fungi are able to live at low water activities, they are perfectly adapted to indoor environments and thrive in microclimatic niches caused by condensation, lack of ventilation or water retention by hygroscopic materials. Fungi spoil valuable pieces of art aesthetically, mechanically, chemically and by degradation of organic components. Historical material made of paper and oil paintings with high amounts of organic binders are especially susceptible to fungal deterioration. In order to prevent fungal contamination or to treat already contaminated objects an integrated approach including climate control, material-specific cleaning and application of carefully selected biocides is necessary. © 2011 Society for Applied Microbiology and Blackwell Publishing Ltd.

Evaluation of new geological reference materials for uranium-series measurements: Chinese Geological Standard Glasses (CGSG) and macusanite obsidian.

PubMed

Denton, J S; Murrell, M T; Goldstein, S J; Nunn, A J; Amato, R S; Hinrichs, K A

2013-10-15

Recent advances in high-resolution, rapid, in situ microanalytical techniques present numerous opportunities for the analytical community, provided accurately characterized reference materials are available. Here, we present multicollector thermal ionization mass spectrometry (MC-TIMS) and multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) uranium and thorium concentration and isotopic data obtained by isotope dilution for a suite of newly available Chinese Geological Standard Glasses (CGSG) designed for microanalysis. These glasses exhibit a range of compositions including basalt, syenite, andesite, and a soil. Uranium concentrations for these glasses range from ∼2 to 14 μg g(-1), Th/U weight ratios range from ∼4 to 6, (234)U/(238)U activity ratios range from 0.93 to 1.02, and (230)Th/(238)U activity ratios range from 0.98 to 1.12. Uranium and thorium concentration and isotopic data are also presented for a rhyolitic obsidian from Macusani, SE Peru (macusanite). This glass can also be used as a rhyolitic reference material, has a very low Th/U weight ratio (around 0.077), and is approximately in (238)U-(234)U-(230)Th secular equilibrium. The U-Th concentration data agree with but are significantly more precise than those previously measured. U-Th concentration and isotopic data agree within estimated errors for the two measurement techniques, providing validation of the two methods. The large (238)U-(234)U-(230)Th disequilibria for some of the glasses, along with the wide range in their chemical compositions and Th/U ratios should provide useful reference points for the U-series analytical community.

Method for distributing chemicals through a fibrous material using low-headspace dielectric heating

DOEpatents

Banerjee, Sujit; Malcolm, Earl

2002-01-01

System and method for diffusing chemicals rapidly and evenly into and through fibrous material, such as wood. Chemicals are introduced into the fibrous material by applying the chemicals to the fibrous material. After treating the fibrous material with the chemicals, the fibrous material is maintained under low-headspace conditions. Thermal energy or dielectric heating, such as microwave or radio frequency energy, is applied to the fibrous material. As a result, the chemicals are able to distribute evenly and quickly throughout the fibrous material.

Variability of bioaccessibility results using seventeen different methods on a standard reference material, NIST 2710.

PubMed

Koch, Iris; Reimer, Kenneth J; Bakker, Martine I; Basta, Nicholas T; Cave, Mark R; Denys, Sébastien; Dodd, Matt; Hale, Beverly A; Irwin, Rob; Lowney, Yvette W; Moore, Margo M; Paquin, Viviane; Rasmussen, Pat E; Repaso-Subang, Theresa; Stephenson, Gladys L; Siciliano, Steven D; Wragg, Joanna; Zagury, Gerald J

2013-01-01

Bioaccessibility is a measurement of a substance's solubility in the human gastro-intestinal system, and is often used in the risk assessment of soils. The present study was designed to determine the variability among laboratories using different methods to measure the bioaccessibility of 24 inorganic contaminants in one standardized soil sample, the standard reference material NIST 2710. Fourteen laboratories used a total of 17 bioaccessibility extraction methods. The variability between methods was assessed by calculating the reproducibility relative standard deviations (RSDs), where reproducibility is the sum of within-laboratory and between-laboratory variability. Whereas within-laboratory repeatability was usually better than (<) 15% for most elements, reproducibility RSDs were much higher, indicating more variability, although for many elements they were comparable to typical uncertainties (e.g., 30% in commercial laboratories). For five trace elements of interest, reproducibility RSDs were: arsenic (As), 22-44%; cadmium (Cd), 11-41%; Cu, 15-30%; lead (Pb), 45-83%; and Zn, 18-56%. Only one method variable, pH, was found to correlate significantly with bioaccessibility for aluminum (Al), Cd, copper (Cu), manganese (Mn), Pb and zinc (Zn) but other method variables could not be examined systematically because of the study design. When bioaccessibility results were directly compared with bioavailability results for As (swine and mouse) and Pb (swine), four methods returned results within uncertainty ranges for both elements: two that were defined as simpler (gastric phase only, limited chemicals) and two were more complex (gastric + intestinal phases, with a mixture of chemicals).

On the isolation of elemental carbon for micro-molar 14C accelerator mass spectrometry; evaluation of alternative isolation procedures, and accuracy assurance using a hybrid isotopic particulate carbon reference material

NASA Astrophysics Data System (ADS)

Currie, L. A.; Kessler, J. D.

2005-05-01

The primary objective of the research reported here has been the development of an hybrid reference material (RM) to serve as a test of accuracy for elemental carbon (EC) isotopic (14C) speciation measurements. Such measurements are critically important for the quantitative apportionment of fossil and biomass sources of ''soot'' (EC), the tracer of fire that has profound effects on health, atmospheric visibility, and climate. Previous studies of 14C-EC measurement quality, carried out with NIST SRM 1649a (Urban Dust), showed a range of results, but since the ''truth'' was not known for this natural matrix RM, one had to rely on isotopic-chemical consistency evidence (14C in PAH, EC) of measurement validity (Currie et al., 2002). Components of the new Hybrid RM (DiesApple), however, have known 14C and EC composition, and they are nearly orthogonal (isotopically and chemically). NIST SRM 2975 (Forklift Diesel Soot) has little or no 14C, and its major compositional component is EC. SRM 1515 (Apple Leaves) has the 14C content of biomass-C, and it has little or no EC. Thus, the hybrid RM can serve as an absolute isotopic test for the absence of EC-mimicking pyrolysis-C from SRM 1515 in the EC isolate of the hybrid RM, together with testing for conservation of its dominant soot fraction through the isolation procedure.

Martian Chemical and Isotopic Reference Standards in Earth-based Laboratories — An Invitation for Geochemical, Astrobiological, and Engineering Dialog on Considering a Weathered Chondrite for Mars Sample Return.

NASA Astrophysics Data System (ADS)

Ashley, J. W.; Tait, A. W.; Velbel, M. A.; Boston, P. J.; Carrier, B. L.; Cohen, B. A.; Schröder, C.; Bland, P.

2017-12-01

Exogenic rocks (meteorites) found on Mars 1) have unweathered counterparts on Earth; 2) weather differently than indigenous rocks; and 3) may be ideal habitats for putative microorganisms and subsequent biosignature preservation. These attributes show the potential of meteorites for addressing hypothesis-driven science. They raise the question of whether chondritic meteorites, of sufficient weathering intensity, might be considered as candidates for sample return in a potential future mission. Pursuant to this discussion are the following questions. A) Is there anything to be learned from the laboratory study of a martian chondrite that cannot be learned from indigenous materials; and if so, B) is the science value high enough to justify recovery? If both A and B answer affirmatively, then C) what are the engineering constraints for sample collection for Mars 2020 and potential follow-on missions; and finally D) what is the likelihood of finding a favorable sample? Observations relevant to these questions include: i) Since 2005, 24 candidate and confirmed meteorites have been identified on Mars at three rover landing sites, demonstrating their ubiquity and setting expectations for future finds. All have been heavily altered by a variety of physical and chemical processes. While the majority of these are irons (not suitable for recovery), several are weathered stony meteorites. ii) Exogenic reference materials provide the only chemical/isotope standards on Mars, permitting quantification of alteration rates if residence ages can be attained; and possibly enabling the removal of Late Amazonian weathering overprints from other returned samples. iii) Recent studies have established the habitability of chondritic meteorites with terrestrial microorganisms, recommending their consideration when exploring astrobiological questions. High reactivity, organic content, and permeability show stony meteorites to be more attractive for colonization and subsequent biosignature preservation than Earth rocks. iv) Compressive strengths of most ordinary chondrites are within the range of rocks being tested for the Mars 2020 drill bits, provided that sufficient size, stability, and flatness of a target can be achieved. Alternatively, the regolith collection bit could be employed for unconsolidated material.

Lubrication handbook for the space industry. Part A: Solid lubricants. Part B: Liquid lubricants

NASA Technical Reports Server (NTRS)

Mcmurtrey, E. L.

1985-01-01

This handbook is intended to provide a ready reference for many of the solid and liquid lubricants used in the space industry. Lubricants and lubricant properties are arranged systematically so that designers, engineers, and maintenance personnel can conveniently locate data needed for their work. This handbook is divided into two major parts (A and B). Part A is a compilation of solid lubricant suppliers information on chemical and physical property of data of more than 250 solid lubricants, bonded solid lubricants, dispersions, and composites. Part B is a compilation of chemical and physical porperty data of more then 250 liquid lubricants, greases, oils, compounds, and fluids. The listed materials cover a broad spectrum from manufacturing and ground support to hardware applications of spacecraft.

The invention of blue and purple pigments in ancient times.

PubMed

Berke, Heinz

2007-01-01

This tutorial review examines manmade blue and purple pigments appearing in antiquity. They were obtained by chemical synthesis from mineral starting materials and refer to chemical compounds: Egyptian Blue (CaCuSi4O10), Han Blue (BaCuSi4O10) and Han Purple (BaCuSi2O6), Maya Blue (x.indigo.(Mg,Al)4Si8(O,OH,H2O)24) and Ultramarine Blue (Na,Ca)8(AlSiO12)(S, SO4,Cl). The Egyptian and Chinese copper-based pigments are assumed to have been developed independently and are presumably an outcome of the historical developments in glazing techniques. A technology transfer from Egypt into China cannot be fully excluded but, based on the facts acquired up to now, looks less probable.

Detection of chemical warfare simulants using Raman excitation at 1064 nm

NASA Astrophysics Data System (ADS)

Dentinger, Claire; Mabry, Mark W.; Roy, Eric G.

2014-05-01

Raman spectroscopy is a powerful technique for material identification. The technique is sensitive to primary and higher ordered molecular structure and can be used to identify unknown materials by comparison with spectral reference libraries. Additionally, miniaturization of opto-electronic components has permitted development of portable Raman analyzers that are field deployable. Raman scattering is a relatively weak effect compared to a competing phenomenon, fluorescence. Even a moderate amount of fluorescence background interference can easily prevent identification of unknown materials. A long wavelength Raman system is less likely to induce fluorescence from a wider variety of materials than a higher energy visible laser system. Compounds such as methyl salicylate (MS), diethyl malonate (DEM), and dimethyl methylphosphonate (DMMP) are used as chemical warfare agent (CWA) simulants for development of analytical detection strategies. Field detection of these simulants however poses unique challenges because threat identification must be made quickly without the turnaround time usually required for a laboratory based analysis. Fortunately, these CWA simulants are good Raman scatterers, and field based detection using portable Raman instruments is promising. Measurements of the CWA simulants were done using a 1064 nm based portable Raman spectrometer. The longer wavelength excitation laser was chosen relative to a visible based laser systems because the 1064 nm based spectrometer is less likely to induce fluorescence and more suitable to a wider range of materials. To more closely mimic real world measurement situations, different sample presentations were investigated.

Thermally emissive sensing materials for chemical spectroscopy analysis

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

Poole, Zsolt; Ohodnicki, Paul R.

A sensor using thermally emissive materials for chemical spectroscopy analysis includes an emissive material, wherein the emissive material includes the thermally emissive materials which emit electromagnetic radiation, wherein the electromagnetic radiation is modified due to chemical composition in an environment; and a detector adapted to detect the electromagnetic radiation, wherein the electromagnetic radiation is indicative of the chemical interaction changes and hence chemical composition and/or chemical composition changes of the environment. The emissive material can be utilized with an optical fiber sensor, with the optical fiber sensor operating without the emissive material probed with a light source external to themore » material.« less

Systematic chemical profiling of Citrus grandis 'Tomentosa' by ultra-fast liquid chromatography/diode-array detector/quadrupole time-of-flight tandem mass spectrometry.

PubMed

Li, Pan-lin; Liu, Meng-hua; Hu, Jie-hui; Su, Wei-wei

2014-03-01

Citrus grandis 'Tomentosa', as the original plant of the traditional Chinese medicine "Huajuhong", has been used as antitussive and expectorant in clinic for thousands of years. The fruit epicarp and whole fruit of this plant were both literarily recorded and commonly used. In the present study, an ultra-fast liquid chromatography coupled with diode-array detection and quadrupole/time-of-flight mass spectrometry (UFLC-DAD-Q-TOF-MS/MS) based chemical profiling method was developed for rapid holistic quality evaluation of C. grandis 'Tomentosa', which laid basis for chemical comparison of two medicinal parts. As a result, forty-eight constituents, mainly belonging to flavonoids and coumarins, were unambiguously identified by comparison with reference standards and/or tentatively characterized by elucidating UV spectra, quasi-molecular ions and fragment ions referring to information available in literature. Both of the epicarp and whole fruit samples were rich in flavonoids and coumarins, but major flavonoids contents in whole fruit were significantly higher than in epicarp (P<0.5). The proposed method could be useful in quality control and standardization of C. grandis 'Tomentosa' raw materials and its products. Results obtained in this study will provide a basis for quality assessment and further study in vivo. Copyright © 2013 Elsevier B.V. All rights reserved.

Recycling-oriented characterization of plastic frames and printed circuit boards from mobile phones by electronic and chemical imaging

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

Palmieri, Roberta; Bonifazi, Giuseppe; Serranti, Silvia, E-mail: silvia.serranti@uniroma1.it

Highlights: • A recycling oriented characterization of end-of-life mobile phones was carried out. • Characterization was developed in a zero-waste-perspective, aiming to recover all the mobile phone materials. • Plastic frames and printed circuit boards were analyzed by electronic and chemical imaging. • Suitable milling/classification strategies were set up to define specialized-pre-concentrated-streams. • The proposed approach can improve the recovery of polymers, base/precious metals, rare earths and critical raw materials. - Abstract: This study characterizes the composition of plastic frames and printed circuit boards from end-of-life mobile phones. This knowledge may help define an optimal processing strategy for using thesemore » items as potential raw materials. Correct handling of such a waste is essential for its further “sustainable” recovery, especially to maximize the extraction of base, rare and precious metals, minimizing the environmental impact of the entire process chain. A combination of electronic and chemical imaging techniques was thus examined, applied and critically evaluated in order to optimize the processing, through the identification and the topological assessment of the materials of interest and their quantitative distribution. To reach this goal, end-of-life mobile phone derived wastes have been systematically characterized adopting both “traditional” (e.g. scanning electronic microscopy combined with microanalysis and Raman spectroscopy) and innovative (e.g. hyperspectral imaging in short wave infrared field) techniques, with reference to frames and printed circuit boards. Results showed as the combination of both the approaches (i.e. traditional and classical) could dramatically improve recycling strategies set up, as well as final products recovery.« less

Determination of As, Hg and Pb in herbs using slurry sampling flow injection chemical vapor generation inductively coupled plasma mass spectrometry.

PubMed

Tai, Chia-Yi; Jiang, Shiuh-Jen; Sahayam, A C

2016-02-01

Analysis of herbs for As, Hg and Pb has been carried out using slurry sampling inductively coupled plasma mass spectrometry (ICP-MS) with flow injection vapor generation. Slurry containing 0.5% m/v herbal powder, 0.1% m/v citric acid and 2% v/v HCl was injected into the VG-ICP-MS system for the determination of As, Hg and Pb that obviate dissolution and mineralization. Standard addition and isotope dilution methods were used for quantifications in selected herbal powders. This method has been validated by the determination of As, Hg and Pb in NIST standard reference materials SRM 1547 Peach Leaves and SRM 1573a Tomato Leaves. The As, Hg and Pb analysis results of the reference materials agreed with the certified values. The precision obtained by the reported procedure was better than 7% for all determinations. The detection limit estimated from standard addition curve was 0.008, 0.003, and 0.007 ng mL(-1) for As, Hg and Pb, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

Complete zircon and chromite digestion by sintering of granite, rhyolite, andesite and harzburgite rock reference materials for geochronological purposes

NASA Astrophysics Data System (ADS)

Bokhari, Syed Nadeem H.; Meisel, Thomas

2014-05-01

Zircon (ZrSiO4) is a common accessory mineral in nature that occurs in a wide variety of sedimentary, igneous, and metamorphic rocks. Zircon has the ability to retain substantial chemical and isotopic information that are used in range of geochemical and geo- chronological investigations. Sample digestion of such rock types is a limiting factor due to the chemical inertness of zircon (ZrSiO4) tourmaline, chromite, barite, monazite, sphene, xenotime etc. as the accuracy of results relies mainly on recovery of analytes from these minerals. Dissolution by wet acid digestions are often incomplete and high blank and total dissolved solids (TDS) contents with alkali fusions lead to an underestimation of analyte concentrations. Hence an effective analytical procedure, that successfully dissolves refractory minerals such as zircon is needed to be employed for reliable analytical results. Na2O2 digestion [1] was applied in characterisation of granite (G-3), rhyolite (MRH), andesite (MGL-AND) and harzburgite (MUH-1) powdered reference material with solution based ICP-MS analysis. In this study we undertake a systematic evaluation of decomposition time and sample:Na2O2 ratio and test portion size after minimising effect of all other constraints that makes homogeneity ambiguous. In recovering zircon and chromite 100 mg test portion was mixed with different amounts of Na2O2 i.e. 100-600 mg. Impact of decomposition time was observed by systematically increasing heating time from 30-45 minutes to 90-120 minutes at 480°C. Different test portion sizes 100-500 mg of samples were digested to control variance of inhomogeneity. An improved recovery of zirconium in zircon in granite (G-3), rhyolite MRH), andesite (MGL-AND) and chromite in harzburgite (MUH-1) was obtained by increasing heating time (2h) at 480°C and by keeping (1:6) ratio of sample:Na2O2. Through this work it has been established that due to presence of zircon and chromite, decomposition time and sample:Na2O2 ratio has to be increased for an accurate content determination and complete release of analytes for geochronological studies. Larger test portion size reduces the heterogeneity issues in granites in particular [2]. No significant blanks issues were observed and interferences were controlled using QQQ MS mode of ICP-MS. References [1] Meisel, T., N. Schöner, et al. (2002). "Determination of Rare Earth Elements, Y, Th, Zr, Hf, Nb and Ta in Geological Reference Materials G-2, G-3, SCo-1 and WGB-1 by Sodium Peroxide Sintering and Inductively Coupled Plasma-Mass Spectrometry." Geostandards Newsletter 26(1): 53-61. [2] Bokhari SNH., Meisel T (2013) "The Determination of Homogeneity of Geological Reference Material" Mineralogical Magazine, 77(5): 731.

Chemical Fingerprinting of Materials Developed Due to Environmental Issues

NASA Technical Reports Server (NTRS)

Smith, Doris A.; McCool, A. (Technical Monitor)

2000-01-01

Instrumental chemical analysis methods are developed and used to chemically fingerprint new and modified External Tank materials made necessary by changing environmental requirements. Chemical fingerprinting can detect and diagnose variations in material composition. To chemically characterize each material, fingerprint methods are selected from an extensive toolbox based on the material's chemistry and the ability of the specific methods to detect the material's critical ingredients. Fingerprint methods have been developed for a variety of materials including Thermal Protection System foams, adhesives, primers, and composites.

How accelerated biological aging can affect solar reflective polymeric based building materials

NASA Astrophysics Data System (ADS)

Ferrari, C.; Santunione, G.; Libbra, A.; Muscio, A.; Sgarbi, E.

2017-11-01

Among the main issues concerning building materials, in particular outdoor ones, one can identify the colonization by microorganisms referred to as biological aggression. This can affect not only the aesthetical aspect but also the thermal performance of solar reflective materials. In order to improve the reliability of tests aimed to assess the resistance to biological aggression and contextually reduce the test duration, an accelerated test method has been developed. It is based on a lab reproducible setup where specific and controlled environmental and boundary conditions are imposed to accelerate as much as possible biological growth on building materials. Due to their widespread use, polymeric materials have been selected for the present analysis, in the aim of reaching an advanced bio-aged level in a relatively short time (8 weeks or less) and at the same time comparatively evaluate different materials under a given set of ageing conditions. Surface properties before, during and after ageing have been investigated by surface, microstructural and chemical analyses, as well as by examination of time progressive images to assess bacterial and algal growth rate.

Optical method for determining the mechanical properties of a material

DOEpatents

Maris, H.J.; Stoner, R.J.

1998-12-01

Disclosed is a method for characterizing a sample, comprising the steps of: (a) acquiring data from the sample using at least one probe beam wavelength to measure, for times less than a few nanoseconds, a change in the reflectivity of the sample induced by a pump beam; (b) analyzing the data to determine at least one material property by comparing a background signal component of the data with data obtained for a similar delay time range from one or more samples prepared under conditions known to give rise to certain physical and chemical material properties; and (c) analyzing a component of the measured time dependent reflectivity caused by ultrasonic waves generated by the pump beam using the at least one determined material property. The first step of analyzing may include a step of interpolating between reference samples to obtain an intermediate set of material properties. The material properties may include sound velocity, density, and optical constants. In one embodiment, only a correlation is made with the background signal, and at least one of the structural phase, grain orientation, and stoichiometry is determined. 14 figs.

Optical method for determining the mechanical properties of a material

DOEpatents

Maris, Humphrey J.; Stoner, Robert J.

1998-01-01

Disclosed is a method for characterizing a sample, comprising the steps of: (a) acquiring data from the sample using at least one probe beam wavelength to measure, for times less than a few nanoseconds, a change in the reflectivity of the sample induced by a pump beam; (b) analyzing the data to determine at least one material property by comparing a background signal component of the data with data obtained for a similar delay time range from one or more samples prepared under conditions known to give rise to certain physical and chemical material properties; and (c) analyzing a component of the measured time dependent reflectivity caused by ultrasonic waves generated by the pump beam using the at least one determined material property. The first step of analyzing may include a step of interpolating between reference samples to obtain an intermediate set of material properties. The material properties may include sound velocity, density, and optical constants. In one embodiment, only a correlation is made with the background signal, and at least one of the structural phase, grain orientation, and stoichiometry is determined.

Chemical reactor and method for chemically converting a first material into a second material

DOEpatents

Kong, Peter C.

2008-04-08

A chemical reactor and method for converting a first material into a second material is disclosed and wherein the chemical reactor is provided with a feed stream of a first material which is to be converted into a second material; and wherein the first material is combusted in the chemical reactor to produce a combustion flame, and a resulting gas; and an electrical arc is provided which is passed through or superimposed upon the combustion flame and the resulting gas to facilitate the production of the second material.

Implementation of the National Security Personnel System at the U.S. Army Chemical Materials Agency

DTIC Science & Technology

2008-06-01

Chemical Materials Agency civilian employees , at various levels of responsibilities, were surveyed to determine, from their perspective, how...current management/ employee relationship at the Chemical Materials Agency. 15. NUMBER OF PAGES 129 14. SUBJECT TERMS Communication...the current management/ employee relationship at the Chemical Materials Agency. Twenty-eight (28) Chemical Materials Agency civilian employees , at

A rapid and high-precision method for sulfur isotope δ(34)S determination with a multiple-collector inductively coupled plasma mass spectrometer: matrix effect correction and applications for water samples without chemical purification.

PubMed

Lin, An-Jun; Yang, Tao; Jiang, Shao-Yong

2014-04-15

Previous studies have indicated that prior chemical purification of samples, although complex and time-consuming, is essential in obtaining precise and accurate results for sulfur isotope ratios using multiple-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). In this study, we introduce a new, rapid and precise MC-ICP-MS method for sulfur isotope determination from water samples without chemical purification. The analytical work was performed on an MC-ICP-MS instrument with medium mass resolution (m/Δm ~ 3000). Standard-sample bracketing (SSB) was used to correct samples throughout the analytical sessions. Reference materials included an Alfa-S (ammonium sulfate) standard solution, ammonium sulfate provided by the lab of the authors and fresh seawater from the South China Sea. A range of matrix-matched Alfa-S standard solutions and ammonium sulfate solutions was used to investigate the matrix (salinity) effect (matrix was added in the form of NaCl). A seawater sample was used to confirm the reliability of the method. Using matrix-matched (salinity-matched) Alfa-S as the working standard, the measured δ(34)S value of AS (-6.73 ± 0.09‰) was consistent with the reference value (-6.78 ± 0.07‰) within the uncertainty, suggesting that this method could be recommended for the measurement of water samples without prior chemical purification. The δ(34)S value determination for the unpurified seawater also yielded excellent results (21.03 ± 0.18‰) that are consistent with the reference value (20.99‰), thus confirming the feasibility of the technique. The data and the results indicate that it is feasible to use MC-ICP-MS and matrix-matched working standards to measure the sulfur isotopic compositions of water samples directly without chemical purification. In comparison with the existing MC-ICP-MS techniques, the new method is better for directly measuring δ(34)S values in water samples with complex matrices; therefore, it can significantly accelerate analytical turnover. Copyright © 2014 John Wiley & Sons, Ltd.

Chemical purity using quantitative 1H-nuclear magnetic resonance: a hierarchical Bayesian approach for traceable calibrations

NASA Astrophysics Data System (ADS)

Toman, Blaza; Nelson, Michael A.; Lippa, Katrice A.

2016-10-01

Chemical purity assessment using quantitative 1H-nuclear magnetic resonance spectroscopy is a method based on ratio references of mass and signal intensity of the analyte species to that of chemical standards of known purity. As such, it is an example of a calculation using a known measurement equation with multiple inputs. Though multiple samples are often analyzed during purity evaluations in order to assess measurement repeatability, the uncertainty evaluation must also account for contributions from inputs to the measurement equation. Furthermore, there may be other uncertainty components inherent in the experimental design, such as independent implementation of multiple calibration standards. As such, the uncertainty evaluation is not purely bottom up (based on the measurement equation) or top down (based on the experimental design), but inherently contains elements of both. This hybrid form of uncertainty analysis is readily implemented with Bayesian statistical analysis. In this article we describe this type of analysis in detail and illustrate it using data from an evaluation of chemical purity and its uncertainty for a folic acid material.

Detection of aqueous phase chemical warfare agent degradation products by negative mode ion mobility time-of-flight mass spectrometry [IM(tof)MS].

PubMed

Steiner, Wes E; Harden, Charles S; Hong, Feng; Klopsch, Steve J; Hill, Herbert H; McHugh, Vincent M

2006-02-01

The use of negative ion monitoring mode with an atmospheric pressure ion mobility orthogonal reflector time-of-flight mass spectrometer [IM(tof)MS] to detect chemical warfare agent (CWA) degradation products from aqueous phase samples has been determined. Aqueous phase sampling used a traditional electrospray ionization (ESI) source for sample introduction and ionization. Certified reference materials (CRM) of CWA degradation products for the detection of Schedule 1, 2, or 3 toxic chemicals or their precursors as defined by the chemical warfare convention (CWC) treaty verification were used in this study. A mixture of six G-series nerve related CWA degradation products (EMPA, IMPA, EHEP, IHEP, CHMPA, and PMPA) and their related collision induced dissociation (CID) fragment ions (MPA and EPA) were found in each case to be clearly resolved and detected using the IM(tof)MS instrument in negative ion monitoring mode. Corresponding ions, masses, drift times, K(o) values, and signal intensities for each of the CWA degradation products are reported.

On the sub-band gap optical absorption in heat treated cadmium sulphide thin film deposited on glass by chemical bath deposition technique

NASA Astrophysics Data System (ADS)

Chattopadhyay, P.; Karim, B.; Guha Roy, S.

2013-12-01

The sub-band gap optical absorption in chemical bath deposited cadmium sulphide thin films annealed at different temperatures has been critically analyzed with special reference to Urbach relation. It has been found that the absorption co-efficient of the material in the sub-band gap region is nearly constant up to a certain critical value of the photon energy. However, as the photon energy exceeds the critical value, the absorption coefficient increases exponentially indicating the dominance of Urbach rule. The absorption coefficients in the constant absorption region and the Urbach region have been found to be sensitive to annealing temperature. A critical examination of the temperature dependence of the absorption coefficient indicates two different kinds of optical transitions to be operative in the sub-band gap region. After a careful analyses of SEM images, energy dispersive x-ray spectra, and the dc current-voltage characteristics, we conclude that the absorption spectra in the sub-band gap domain is possibly associated with optical transition processes involving deep levels and the grain boundary states of the material.

Mechanical and chemical properties of composite materials made of dredged sediments in a fly-ash based geopolymer.

PubMed

Lirer, S; Liguori, B; Capasso, I; Flora, A; Caputo, D

2017-04-15

Dredging activity in harbours and channels produces huge quantities of sediments, generally considered as waste soil (WS) to be disposed: the management of such sediments is a great environmental problem for many countries worldwide. Among the recycling possibilities, the use of dredged sediments for the manufacture of geopolymer-based materials seems to be an interesting alternative to disposal, due to their low cost and easy availability. In order to analyse the possibility to use these geopolymer materials as building materials - for instance as precast construction elements in maritime projects - a multi-disciplinary research activity has been developed at the Federico II University of Napoli (Italy). Some experimental tests have been carried out on different geopolymeric specimens made by mixing sediments from Napoli 'harbour and industrial fly ashes produced by a power plant in the South of Italy. A siliceous sand was used for comparison as an inert reference material. Chemical, morphological and mechanical properties of different specimens have been studied by X-ray diffraction, Scanning Electron Microscopy (SEM), Fourier transformed infrared spectroscopy (FTIR) and finally unconfined compression tests. The experimental results highlight that the use of dredged sediments in combination with fly ash can lead to geopolymeric matrices with interesting mechanical performances. Some differences in the microstructure of the geocomposite built with the siliceous sand or the dredged materials were found. In terms of environmental impacts, on the basis of standard leaching tests and according to Italian thresholds, the adopted dredged mixtures satisfy the prescribed limit for inert or non hazardous waste. Copyright © 2017 Elsevier Ltd. All rights reserved.

A bill to ensure that methodologies and technologies used by the Bureau of Customs and Border Protection to screen for and detect the presence of chemical, nuclear, biological, and radiological weapons in municipal solid waste are as effective as the methodologies and technologies used by the Bureau to screen for those materials in other items of commerce entering the United States through commercial motor vehicle transport.

THOMAS, 112th Congress

Sen. Levin, Carl [D-MI

2011-04-14

Senate - 04/14/2011 Read twice and referred to the Committee on Homeland Security and Governmental Affairs. (All Actions) Tracker: This bill has the status IntroducedHere are the steps for Status of Legislation:

Biological effect of fluoride on plants

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

Collet, G.F.

1969-10-01

The action of several fluorine compounds was studied by means of hydroponics. Seedlings of several species were used. In leaves of Prunus armeniaca, a good correlation between the extent of necrosis and the leaf's total fluorine content was noted. Boron plays a spectacular role as it enhances the expected fluorine accumulation. Similar results were obtained with other plant material, an observation which suggests that this phenomenon is universal in plant life. Fluorine accumulation and leaf damage due to fluorine depend upon the chemical nature of the fluorine compound. 11 references, 3 figures, 2 tables.

Dissipative Structures At Laser-Solid Interactions

NASA Astrophysics Data System (ADS)

Nanai, Laszlo

1989-05-01

The questions which are discussed in this lecture refer to one of sections of laser-solid interactions, namely: to formation of different dissipative structures on the surface of metals and semiconductors when they are irradiated by intensive laser light in chemically active media (f.e.air). Some particular examples of the development at different spatial and time instabilities, periodic and stochastic structures, auto-wave processes are present-ed using testing materials vanadium metal and semiconducting V205 single crystals and light sources: cw and pulsed CO2 and YAG lasers.

A Multi-Parametric Device with Innovative Solid Electrodes for Long-Term Monitoring of pH, Redox-Potential and Conductivity in a Nuclear Waste Repository

PubMed Central

Daoudi, Jordan; Betelu, Stephanie; Tzedakis, Theodore; Bertrand, Johan; Ignatiadis, Ioannis

2017-01-01

We present an innovative electrochemical probe for the monitoring of pH, redox potential and conductivity in near-field rocks of deep geological radioactive waste repositories. The probe is composed of a monocrystalline antimony electrode for pH sensing, four AgCl/Ag-based reference or Cl− selective electrodes, one Ag2S/Ag-based reference or S2− selective electrode, as well as four platinum electrodes, a gold electrode and a glassy-carbon electrode for redox potential measurements. Galvanostatic electrochemistry impedance spectroscopy using AgCl/Ag-based and platinum electrodes measure conductivity. The use of such a multi-parameter probe provides redundant information, based as it is on the simultaneous behaviour under identical conditions of different electrodes of the same material, as well as on that of electrodes made of different materials. This identifies the changes in physical and chemical parameters in a solution, as well as the redox reactions controlling the measured potential, both in the solution and/or at the electrode/solution interface. Understanding the electrochemical behaviour of selected materials thus is a key point of our research, as provides the basis for constructing the abacuses needed for developing robust and reliable field sensors. PMID:28608820

A Multi-Parametric Device with Innovative Solid Electrodes for Long-Term Monitoring of pH, Redox-Potential and Conductivity in a Nuclear Waste Repository.

PubMed

Daoudi, Jordan; Betelu, Stephanie; Tzedakis, Theodore; Bertrand, Johan; Ignatiadis, Ioannis

2017-06-13

We present an innovative electrochemical probe for the monitoring of pH, redox potential and conductivity in near-field rocks of deep geological radioactive waste repositories. The probe is composed of a monocrystalline antimony electrode for pH sensing, four AgCl/Ag-based reference or Cl - selective electrodes, one Ag₂S/Ag-based reference or S 2- selective electrode, as well as four platinum electrodes, a gold electrode and a glassy-carbon electrode for redox potential measurements. Galvanostatic electrochemistry impedance spectroscopy using AgCl/Ag-based and platinum electrodes measure conductivity. The use of such a multi-parameter probe provides redundant information, based as it is on the simultaneous behaviour under identical conditions of different electrodes of the same material, as well as on that of electrodes made of different materials. This identifies the changes in physical and chemical parameters in a solution, as well as the redox reactions controlling the measured potential, both in the solution and/or at the electrode/solution interface. Understanding the electrochemical behaviour of selected materials thus is a key point of our research, as provides the basis for constructing the abacuses needed for developing robust and reliable field sensors.

Contribution of ants in modifying of soil acidity and particle size distribution

NASA Astrophysics Data System (ADS)

Morgun, Alexandra; Golichenkov, Maxim

2015-04-01

Being a natural body, formed by the influence of biota on the upper layers of the Earth's crust, the soil is the most striking example of biogenic-abiogenic interactions in the biosphere. Invertebrates (especially ants that build soil nests) are important agents that change soil properties in well developed terrestrial ecosystems. Impact of soil microorganisms on soil properties is particularly described in numerous literature and concerns mainly chemical properties and general indicators of soil biological activity. Influence of ants (as representatives of the soil mesofauna) mostly appears as mechanical movement of soil particles and aggregates, and chemical effects caused by concentration of organic matter within the ant's nest. The aim of this research was to evaluate the effect of ants on physical and chemical soil attributes such as particle size distribution and soil acidity. The samples were taken from aerial parts of Lasius niger nests, selected on different elements of the relief (summit position, slope, terrace and floodplain) in the Arkhangelsk region (north of the European part of Russia) and compared with the specimens of the upper horizons of the reference soils. Particle size distribution was determined by laser diffraction method using laser diffraction particle size analyzer «Analysette 22 comfort» (FRITSCH, Germany). The acidity (pH) was determined by potentiometry in water suspension. Particle size distribution of the samples from the nests is more variable as compared to the control samples. For example, the content of 5-10 μm fraction ranges from 9% to 12% in reference soils, while in the anthill samples the variation is from 8% to 15%. Similarly, for 50-250 μm fraction - it ranges from 15% to 18% in reference soils, whereas in anthills - from 6% to 29%. The results of particle size analysis showed that the reference sample on the terrace has silty loam texture and nests soil L. niger are medium loam. The reference soil on the slope is characterized as medium loam, and ant's nest material has silty loam texture. The control samples of soil and ants nests on the summit position are similar and have medium loam texture. Generally we outline that the particle size distribution of anthill samples shows more variability. We assume that ants operate with small soil aggregates, in which fine fractions may link together coarser particles. pH measurements show that the reference soils have a strongly acidic reaction on the summit position (pH 4.6), slightly acidic on the slope (pH 5.5) and neutral on the terrace and on the floodplain (pH 7.2). While the material of the anthills tends to be slightly alkalinized on the summit (pH 4.8) and alkalinized on the slope (pH 7.2), but acidified to neutral on the floodplain and terrace (pH 6.4 and 5.7). Therefore, the ants form specific physico-chemical conditions that are different from the surrounding (native) soil, significantly increasing the complexity of soil cover structure. This is a clear example of ecosystem engineering functions of ants in nature. Increased complexity of soil pattern is the result of variations in pH and particle size distribution. Both cause the preconditions for the formation of new environmental niches and enhance biodiversity in natural ecosystems.

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

Eppich, Gary R.; Williams, Ross W.; Gaffney, Amy M.

Here, age dating of nuclear material can provide insight into source and suspected use in nuclear forensic investigations. We report here a method for the determination of the date of most recent chemical purification for uranium materials using the 235U- 231Pa chronometer. Protactinium is separated from uranium and neptunium matrices using anion exchange resin, followed by sorption of Pa to an SiO 2 medium. The concentration of 231Pa is measured by isotope dilution mass spectrometry using 233Pa spikes prepared from an aliquot of 237Np and calibrated in-house using the rock standard Table Mountain Latite and the uranium isotopic standard U100.more » Combined uncertainties of age dates using this method are 1.5 to 3.5 %, an improvement over alpha spectrometry measurement methods. Model ages of five uranium standard reference materials are presented; all standards have concordant 235U- 231Pa and 234U- 230Th model ages.« less

Elastic modulus measurements at variable temperature: Validation of atomic force microscopy techniques

NASA Astrophysics Data System (ADS)

Natali, Marco; Reggente, Melania; Passeri, Daniele; Rossi, Marco

2016-06-01

The development of polymer-based nanocomposites to be used in critical thermal environments requires the characterization of their mechanical properties, which are related to their chemical composition, size, morphology and operating temperature. Atomic force microscopy (AFM) has been proven to be a useful tool to develop techniques for the mechanical characterization of these materials, thanks to its nanometer lateral resolution and to the capability of exerting ultra-low loads, down to the piconewton range. In this work, we demonstrate two techniques, one quasi-static, i.e., AFM-based indentation (I-AFM), and one dynamic, i.e., contact resonance AFM (CR-AFM), for the mechanical characterization of compliant materials at variable temperature. A cross-validation of I-AFM and CR-AFM has been performed by comparing the results obtained on two reference materials, i.e., low-density polyethylene (LDPE) and polycarbonate (PC), which demonstrated the accuracy of the techniques.

40 CFR 1068.95 - What materials does this part reference?

Code of Federal Regulations, 2011 CFR

2011-07-01

... material from the Society of Automotive Engineers that we have incorporated by reference. The first column... reference it. Anyone may purchase copies of these materials from the Society of Automotive Engineers, 400... Materials Document number and name Part 1068reference SAE J1930, Electrical/Electronic Systems Diagnostic...

40 CFR 1068.95 - What materials does this part reference?

Code of Federal Regulations, 2010 CFR

2010-07-01

... material from the Society of Automotive Engineers that we have incorporated by reference. The first column... reference it. Anyone may purchase copies of these materials from the Society of Automotive Engineers, 400... Materials Document number and name Part 1068reference SAE J1930, Electrical/Electronic Systems Diagnostic...

40 CFR 1042.910 - Reference materials.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 32 2010-07-01 2010-07-01 false Reference materials. 1042.910 Section... Other Reference Information § 1042.910 Reference materials. Documents listed in this section have been... information on the availability of this material at NARA, call 202-741-6030, or go to: http://www.archives.gov...

40 CFR 1042.910 - Reference materials.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 33 2014-07-01 2014-07-01 false Reference materials. 1042.910 Section... Other Reference Information § 1042.910 Reference materials. Documents listed in this section have been... information on the availability of this material at NARA, call 202-741-6030, or go to: http://www.archives.gov...

40 CFR 1043.100 - Reference materials.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 33 2014-07-01 2014-07-01 false Reference materials. 1043.100 Section... § 1043.100 Reference materials. Documents listed in this section have been incorporated by reference into... the availability of this material at NARA, call 202-741-6030, or go to: http://www.archives.gov...

Green engineering: Green composite material, biodiesel from waste coffee grounds, and polyurethane bio-foam

NASA Astrophysics Data System (ADS)

Cheng, Hsiang-Fu

In this thesis we developed several ways of producing green materials and energy resources. First, we developed a method to fabricate natural fibers composites, with the purpose to develop green textile/woven composites that could potentially serve as an alternative to materials derived from non-renewable sources. Flax and hemp fabrics were chosen because of their lightweight and exceptional mechanical properties. To make these textile/woven composites withstand moist environments, a commercially available marine resin was utilized as a matrix. The tensile, three-point bending, and edgewise compression strengths of these green textile/woven composites were measured using ASTM protocols. Secondly, we developed a chemical procedure to obtain oil from waste coffee grounds; we did leaching and liquid extractions to get liquid oil from the solid coffee. This coffee oil was used to produce bio-diesel that could be used as a substitute for petroleum-based diesel. Finally, polyurethane Bio-foam formation utilized glycerol that is the by-product from the biodiesel synthesis. A chemical synthesis procedure from the literature was used as the reference system: a triol and isocynate are mixed to produce polyurethane foam. Moreover, we use a similar triol, a by-product from bio-diesel synthesis, to reproduce polyurethane foam.

Agriculture on Mars: Soils for Plant Growth

NASA Technical Reports Server (NTRS)

Ming, D. W.

2016-01-01

Robotic rovers and landers have enabled the mineralogical, chemical, and physical characterization of loose, unconsolidated materials on the surface of Mars. Planetary scientists refer to the regolith material as "soil." NASA is currently planning to send humans to Mars in the mid 2030s. Early missions may rely on the use of onsite resources to enable exploration and self-sufficient outposts on Mars. The martian "soil" and surface environment contain all essential plant growth elements. The study of martian surface materials and how they might react as agricultural soils opens a new frontier for researchers in the soil science community. Other potential applications for surface "soils" include (i) sources for extraction of essential plant-growth nutrients, (ii) sources of O2, H2, CO2, and H2O, (iii) substrates for microbial populations in the degradation of wastes, and (iv) shielding materials surrounding outpost structures to protect humans, plants, and microorganisms from radiation. There are many challenges that will have to be addressed by soil scientists prior to human exploration over the next two decades.

Anaerobic Digestion.

PubMed

Liebetrau, Jan; Sträuber, Heike; Kretzschmar, Jörg; Denysenko, Velina; Nelles, Michael

2017-04-09

The term anaerobic digestion usually refers to the microbial conversion of organic material to biogas, which mainly consists of methane and carbon dioxide. The technical application of the naturally-occurring process is used to provide a renewable energy carrier and - as the substrate is often waste material - to reduce the organic matter content of the substrate prior to disposal.Applications can be found in sewage sludge treatment, the treatment of industrial and municipal solid wastes and wastewaters (including landfill gas utilization), and the conversion of agricultural residues and energy crops.For biorefinery concepts, the anaerobic digestion (AD) process is, on the one hand, an option to treat organic residues from other production processes. Concomitant effects are the reduction of organic carbon within the treated substance, the conversion of nitrogen and sulfur components, and the production of an energy-rich gas - the biogas. On the other hand, the multistep conversion of complex organic material offers the possibility of interrupting the conversion chain and locking out intermediates for utilization as basic material within the chemical industry.

Approaches for enantioselective resolution of pharmaceuticals by miniaturised separation techniques with new chiral phases based on nanoparticles and monolithis.

PubMed

Sierra, Isabel; Marina, Maria Luisa; Pérez-Quintanilla, Damián; Morante-Zarcero, Sonia; Silva, Mariana

2016-10-01

This article discusses new developments in the preparation of nanoparticles and monoliths with emphasis upon their application as the stationary and pseudo-stationary phases for miniaturised liquid phase separation techniques, which have occurred in the last 10 years (from 2006 to the actuality). References included in this review represent current trends and state of the art in the application of these materials to the analysis, by EKC, CEC and miniaturised chromatography, of chiral compounds with environmental interest such as pharmaceuticals. Due to their extraordinary properties, columns prepared with these new chiral stationary or pseudo-stationary phases, based on materials such as gold nanoparticles, metal-organic frameworks, ordered mesoporous silicas, carbonaceous materials, polymeric-based and silica-based monoliths or molecularly imprinted materials, can usually show some improvements in the separation selectivity, column efficiency and chemical stability in comparison with conventional chiral columns available commercially. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Encyclopedia of Smart Materials, 2 Volume Set

NASA Astrophysics Data System (ADS)

Schwartz, Mel

2002-03-01

Smart materials--materials and structures that can impart information about their environment to an observer or monitoring device--are revolutionizing fields as diverse as engineering, optics, and medical technology. Advances in smart materials are impacting disciplines across the scientific and technological landscape. Now, practictioners and researchers have an authoritative source to go to for answers about this emerging new area. Encyclopedia of Smart Materials provides A-to-Z coverage of the entire field of intelligent materials. Discussions of theory, fabrication, processing, applications, and uses of these unique materials are presented here in a collection of concise entries from the world's foremost experts in the field--including scientists, educators and engineers. This encyclopedia is as broad in scope as the technology itself, addressing daily, commercial applications as well as sophisticated units designed to operate in space, underwater, underground, and within the human body. Extensively cross-referenced and generously supplemented with bibliographies and indexes, this book's treatment also broaches the specialized properties and coatings that are required for the use of materials in extreme conditions. Illustrated with photographs, tables, line drawings, and equations, Encyclopedia of Smart Materials is the premier reference for material scientists, chemists, chemical engineers, process engineers, consultants, patent attorneys and students in these areas. An essential resource on the shelves of laboratories, government facilities, and academic libraries. Editor-in-Chief, Mel Schwartz has over forty years of experience with metals, ceramics, and composites, with special expertise in brazing. The holder of five patents, he has authored thirteen books and more than one hundred technical papers and articles. Reach the information you need rapidly and easily with the ONLINE edition of the Encyclopedia of Smart Materials. The online edition delivers all the rich content of the print edition with the added benefits of an advanced search engine and the desktop convenience of web access. For more information or to license the online edition (beginning July 2002) please visit: www.interscience.wiley.com/reference/esm

[Research progress on enlargement of medicinal resources of Paridis Rhizome].

PubMed

Cheng, Li; Zhen, Yan; Chen, Min; Huang, Lu-qi

2015-08-01

Currently, as an important raw material of Chinese traditional patent medicines, Paridis Rhizome is in great demand, which led to its price increases. In order to protect the wild resources and satisfy market demand of Paridis rhizome, the researches in various directions were conducted, involved its chemical composition, pharmacological action, clinical application, resource investigation, artificial cultivation, etc. Herein, the chemical studies of genus Paridis Rhizome, aerial parts of Paridis Rhizome gummy and starchy Paridis Rhizome, and the studies of endophyte in Paridis Rhizome were reviewed and analyzed in order to explore the substitutes of Paridis Rhizome, and provide the reference for the enlargement of medicinal resources of Paridis Rhizome. It manifests that the steroidal saponins, the important chemical compositions in Paridis Rhizome were tested in genus Paridis Rhizome, aerial parts of Paridis Rhizome, gummy Paridis Rhizome and the endophyte in Paridis Rhizome. However, the further experimental studies and clinical verification works should be carried out to confirm the final substitute.

Leaching behaviour of low level organic pollutants contained in cement-based materials: experimental methodology and modelling approach.

PubMed

Tiruta-Barna, Ligia; Fantozzi-Merle, Catherine; de Brauer, Christine; Barna, Radu

2006-11-16

The aim of this paper is the investigation of the leaching behaviour of different porous materials containing organic pollutants (PAH: naphthalene and phenanthrene). The assessment methodology of long term leaching behaviour of inorganic materials was extended to cement solidified organic pollutants. Based on a scenario-approach considering environmental factors, matrix and pollutants specificities, the applied methodology is composed of adapted equilibrium and dynamic leaching tests. The contributions of different physical and chemical mechanisms were identified and the leaching behaviour was modelled. The physical parameters of the analysed reference and polluted materials are similar. A difference in the pore size distribution appears for higher naphthalene content. The solubility of the PAH contained in the material is affected by the ionic strength and by the presence of a co-solvent; the solution pH does not influence PAH solubility. The solubility of the major mineral species is not influenced by the presence of the two PAH nor by the presence of the methanol as co-solvent in the range of the tested material compositions. In the case of the leaching of a monolith material the main transport mechanism is the diffusion in the porous system. For both mineral and organic species we observed at least two dynamic domains. At the beginning of the leaching process the released flux is due to the surface dissolution and to the diffusion of the main quantity dissolved in the initial pore solution. The second period is governed by a stationary regime between dissolution in pore water and diffusion. The model, coupling transport and chemical phenomena in the pore solution, at the monolith surface and in the leachate simulates satisfactory the release for both mineral and organic species.

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

PubMed Central

Westbrook, John D.; Shao, Chenghua; Feng, Zukang; Zhuravleva, Marina; Velankar, Sameer; Young, Jasmine

2015-01-01

Summary: The Chemical Component Dictionary (CCD) is a chemical reference data resource that describes all residue and small molecule components found in Protein Data Bank (PDB) entries. The CCD contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, chemical descriptors, systematic chemical names and idealized coordinates. The content, preparation, validation and distribution of this CCD chemical reference dataset are described. Availability and implementation: The CCD is updated regularly in conjunction with the scheduled weekly release of new PDB structure data. The CCD and amino acid variant reference datasets are hosted in the public PDB ftp repository at ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz, ftp://ftp.wwpdb.org/pub/pdb/data/monomers/aa-variants-v1.cif.gz, and its mirror sites, and can be accessed from http://wwpdb.org. Contact: jwest@rcsb.rutgers.edu. Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25540181

The Lunar Regolith

NASA Technical Reports Server (NTRS)

Noble, Sarah

2009-01-01

A thick layer of regolith, fragmental and unconsolidated rock material, covers the entire lunar surface. This layer is the result of the continuous impact of meteoroids large and small and the steady bombardment of charged particles from the sun and stars. The regolith is generally about 4-5 m thick in mare regions and 10-15 m in highland areas (McKay et al., 1991) and contains all sizes of material from large boulders to sub-micron dust particles. Below the regolith is a region of large blocks of material, large-scale ejecta and brecciated bedrock, often referred to as the "megaregolith". Lunar soil is a term often used interchangeably with regolith, however, soil is defined as the subcentimeter fraction of the regolith (in practice though, soil generally refers to the submillimeter fraction of the regolith). Lunar dust has been defined in many ways by different researchers, but generally refers to only the very finest fractions of the soil, less than approx.10 or 20 microns. Lunar soil can be a misleading term, as lunar "soil" bears little in common with terrestrial soils. Lunar soil contains no organic matter and is not formed through biologic or chemical means as terrestrial soils are, but strictly through mechanical comminution from meteoroids and interaction with the solar wind and other energetic particles. Lunar soils are also not exposed to the wind and water that shapes the Earth. As a consequence, in contrast to terrestrial soils, lunar soils are not sorted in any way, by size, shape, or chemistry. Finally, without wind and water to wear down the edges, lunar soil grains tend to be sharp with fresh fractured surfaces.

Using graphitic foam as the bonding material in metal fuel pins for sodium fast reactors

NASA Astrophysics Data System (ADS)

Karahan, Aydın; Kazimi, Mujid S.

2013-10-01

The study evaluates the possible use of graphite foam as the bonding material between U-Pu-Zr metallic fuel and steel clad for sodium fast reactor applications using FEAST-METAL fuel performance code. Furthermore, the applicability of FEAST-METAL to the advanced fuel designs is demonstrated. Replacing the sodium bond with a chemically stable foam material would eliminate fuel clad metallurgical interactions, and allow for fuel swelling under low external stress. Hence, a significant improvement is expected for the steady state and transient performance. FEAST-METAL was used to assess the thermo-mechanical behavior of the new fuel form and a reference metallic fuel pin. Nearly unity conversion ratio, 75% smear density U-15Pu-6Zr metallic fuel pin with sodium bond, and T91 cladding was selected as a reference case. It was found that operating the reference case at high clad temperatures (600-660 °C) results in (1) excessive clad wastage formation/clad thinning due to lanthanide migration and formation of brittle phases at clad inner surface, and (2) excessive clad hoop strain at the upper axial section due mainly to the occurrence of thermal creep. The combination of these two factors may lead to cladding breach. The work concludes that replacing the sodium bond with 80% porous graphite foam and reducing the fuel smear density to 70%, it is likely that the fuel clad metallurgical interaction would be eliminated while the fuel swelling is allowed without excessive fuel clad mechanical interaction. The suggested design appears as an alternative for a high performance metallic fuel design for sodium fast reactors.

The influence of Saccharomyces cerevisiae enzyme ratio on preparation virgin coconut oil for candidate in-house reference materials

NASA Astrophysics Data System (ADS)

Rohyami, Yuli; Anjani, Rafika Debby; Purwanti, Napthalina Putri

2017-03-01

Virgin coconut oil is an excellent product which has result of oil processing business opportunities in the international market. Standardization of virgin coconut oil necessary to satisfy the requirements industry needs. This research is expected as procedure preparation of reference materials. Preparation of virgin coconut oil by Sacharomycescerevisiaeenzyme. Based on the results of this study concluded that the ratio of Saccharomyces cerevisiae can affect the yield of virgin coconut oil produced. The preparation of virgin coconut oil enzymatically using a variety of mass ratio of 0.001 to 0.006% is obtained yield average of 12.40%. The optimum separation of virgin coconut oil on the use of enzymes with a mass ratio of 0.002%. The average water content at a ratio of 0.002% is 0.04 % with a value of uncertainty is 0.005%. The average iodine number in virgin coconut oil produced is 2.4403 ± 0,1974 grams of iodine per 100 grams of oil and optimum iodine number is obtained from the manufacturing process virgin coconut oil with a ratio of 0.006% Saccharomyces cerevisiae. Sacharomycescerevisiae with a ratio of 0.002% results virgin coconut oil with acid number 0.3068 ± 0.1098%. The peroxide value of virgin coconut oil between 0.0108 ± 0.009 to 0.0114 ± 0015milli-equivalent per kilograms. Organoleptic test results and test chemical parameters can be used as the test data that can be developed in prototype preparation of candidate in-house reference material in the testing standards of quality virgin coconut oil.

Reference Materials and Subject Matter Knowledge Codes for Airman Knowledge Testing

DOT National Transportation Integrated Search

2004-06-08

The listings of reference materials and subject matter knowledge codes have been : prepared by the Federal Aviation Administration (FAA) to establish specific : references for all knowledge standards. The listings contain reference materials : to be ...

High capacity hydrogen storage materials: attributes for automotive applications and techniques for materials discovery.

PubMed

Yang, Jun; Sudik, Andrea; Wolverton, Christopher; Siegel, Donald J

2010-02-01

Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means--high-pressure gas or (cryogenic) liquefaction--are unlikely to satisfy targets for performance and cost, a global research effort focusing on the development of chemical means for storing hydrogen in condensed phases has recently emerged. At present, no known material exhibits a combination of properties that would enable high-volume automotive applications. Thus new materials with improved performance, or new approaches to the synthesis and/or processing of existing materials, are highly desirable. In this critical review we provide a practical introduction to the field of hydrogen storage materials research, with an emphasis on (i) the properties necessary for a viable storage material, (ii) the computational and experimental techniques commonly employed in determining these attributes, and (iii) the classes of materials being pursued as candidate storage compounds. Starting from the general requirements of a fuel cell vehicle, we summarize how these requirements translate into desired characteristics for the hydrogen storage material. Key amongst these are: (a) high gravimetric and volumetric hydrogen density, (b) thermodynamics that allow for reversible hydrogen uptake/release under near-ambient conditions, and (c) fast reaction kinetics. To further illustrate these attributes, the four major classes of candidate storage materials--conventional metal hydrides, chemical hydrides, complex hydrides, and sorbent systems--are introduced and their respective performance and prospects for improvement in each of these areas is discussed. Finally, we review the most valuable experimental and computational techniques for determining these attributes, highlighting how an approach that couples computational modeling with experiments can significantly accelerate the discovery of novel storage materials (155 references).

Synthesis of reference compounds related to Chemical Weapons Convention for verification and drug development purposes – a Brazilian endeavour

NASA Astrophysics Data System (ADS)

Cavalcante, S. F. A.; de Paula, R. L.; Kitagawa, D. A. S.; Barcellos, M. C.; Simas, A. B. C.; Granjeiro, J. M.

2018-03-01

This paper deals with challenges that Brazilian Army Organic Synthesis Laboratory has been going through to access reference compounds related to the Chemical Weapons Convention in order to support verification analysis and for research of novel antidotes. Some synthetic procedures to produce the chemicals, as well as Quality Assurance issues and a brief introduction of international agreements banning chemical weapons are also presented.

3D flexible alignment using 2D maximum common substructure: dependence of prediction accuracy on target-reference chemical similarity.

PubMed

Kawabata, Takeshi; Nakamura, Haruki

2014-07-28

A protein-bound conformation of a target molecule can be predicted by aligning the target molecule on the reference molecule obtained from the 3D structure of the compound-protein complex. This strategy is called "similarity-based docking". For this purpose, we develop the flexible alignment program fkcombu, which aligns the target molecule based on atomic correspondences with the reference molecule. The correspondences are obtained by the maximum common substructure (MCS) of 2D chemical structures, using our program kcombu. The prediction performance was evaluated using many target-reference pairs of superimposed ligand 3D structures on the same protein in the PDB, with different ranges of chemical similarity. The details of atomic correspondence largely affected the prediction success. We found that topologically constrained disconnected MCS (TD-MCS) with the simple element-based atomic classification provides the best prediction. The crashing potential energy with the receptor protein improved the performance. We also found that the RMSD between the predicted and correct target conformations significantly correlates with the chemical similarities between target-reference molecules. Generally speaking, if the reference and target compounds have more than 70% chemical similarity, then the average RMSD of 3D conformations is <2.0 Å. We compared the performance with a rigid-body molecular alignment program based on volume-overlap scores (ShaEP). Our MCS-based flexible alignment program performed better than the rigid-body alignment program, especially when the target and reference molecules were sufficiently similar.

Ecological evaluation of proposed dredged material from Richmond Harbor Deepening Project and the intensive study of the Turning Basin

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

Pinza, M.R.; Mayhew, H.L.; Karle, L.M.

Richmond Harbor is on the eastern shoreline of central San Francisco Bay and its access channels and several of the shipping berths are no longer wide or deep enough to accommodate modem deeper-draft vessels. The Water Resources Development Act of 1986 (PL99-662) authorized the US Army Corps of Engineers (USACE), San Francisco District to deepen and widen the navigation channels in Richmond Harbor. Several options for disposal of the material from this dredging project are under consideration by USACE: disposal within San Francisco Bay, at open-ocean disposal sites, or at uplands disposal sites. Purpose of this study was to conductmore » comprehensive evaluations, including chemical, biological, and bioaccumulation testing of sediments in selected areas of Richmond Harbor. This information was required by the Environmental Protection Agency (EPA) and USACE. Battelle/Marine Sciences Laboratory collected 20 core samples, both 4-in. and 12-in., to a project depth of -40 ft mean lower low water (MLLW) (-38 ft MLLW plus 2 ft of overdepth) using a vibratory-hammer core. These 20 field samples were combined to form five test composites plus an older bay mud (OBM) composite that were analyzed for physical/chemical parameters, biological toxicity, and tissue chemistry. Solid-phase tests were conducted with the amphipod, Rhepoxynius abronius; the clam, Macoma nasuta; and the polychaete worm, Nephtys caecoides. Suspended-particulate-phase (SPP) tests were conducted with the sanddab, Citharichthys stigmaeus; the mysid, Holmesimysis costata; and the bivalve, Mytilus galloprovincialis. Bioaccumulation of contaminants was measured in tissues of Macoma nasuta and Nereis virens. Sediments from one ocean reference sediment, and two in-bay reference sediments, were tested concurrently. Results from analysis of the five test treatments were statistically compared with the reference sediment R-OS in the first five sections of this report.« less

Determination of elemental carbon in lake sediments using a thermal-optical transmittance (TOT) method

NASA Astrophysics Data System (ADS)

Khan, A. J.; Swami, Kamal; Ahmed, Tanveer; Bari, A.; Shareef, Akhtar; Husain, Liaquat

2009-12-01

An improved chemical oxidation pretreatment method has been developed for the determination of elemental carbon (EC) [also known as black carbon (BC) or soot] in lake sediments, using a thermal-optical transmittance (TOT) carbon analyzer. The method employs six steps: (1) removal of carbonates by treatment with HCl; (2) removal of silicates by treatment with HF + HCl; (3) removal of any remaining carbonates by treatment with HCl; (4) removal of humic acids by treatment with NaOH; and (5) oxidation of kerogens by K 2Cr 2O 7 + H 2SO 4. A critical step of zinc chloride treatment was added; this apparently changes EC's morphology and enhances retention on quartz fiber filter, resulting in several-fold increased chemical yield. EC was determined using the TOT method with modified combustion timings. Carbon black (acetylene) and four NIST standard reference materials (SRMs) were used for quality control, and to assess the precision of the analysis. The EC recoveries from 18 carbon black samples varied from 90 to 111%, with a mean value of 99 ± 6%. The high EC recoveries confirmed the validity of the method. Char reference materials (i.e. chestnut wood and grass char) were used to determine potential contribution to EC in our measurements. The char references containing about 700 mg total organic carbon (OC) contributed ˜1.5% EC. The measured EC values from four NIST standards were 17.0 ± 0.6, 24.2 ± 3.2, 5.6, and 1.9 ± 0.1 mg g dw-1 for SRM-1648, SRM-1649a, SRM-1941b and SRM-8704, respectively. These values in SRMs were in agreement (<±4%) with the previously reported values. The method was applied to determine the EC in sediment cores from an urban lake and a remote mountain lake in the Northeastern United States. The EC concentrations in two lakes mimic the model EC emissions from the industrial revolution in United States.

Effects of anthropogenic particles on the chemical and geophysical properties of urban soils, Detroit, Michigan

NASA Astrophysics Data System (ADS)

Orlicki, Katharine M.

There is a great need in many cities for a better quality of urban soil maps. This is due to the increasing interest in repurposing vacant land for urban redevelopment, agriculture, and green infrastructure. Mapping vacant urban land in Detroit can be very difficult because anthropogenic soils were often highly variable and frequently contained demolition debris (such as brick), making it difficult to use a hand auger. This study was undertaken in Detroit, MI to create a more efficient way to map urban soils based on their geophysical and chemical properties. This will make the mapping process faster, less labor intensive, and therefore more cost effective. Optical and chemical criteria for the identification and classification of microartifacts (MAs) were made from a set of reference artifacts of a known origin. These MAs were then observed and tested in urban topsoil samples from sites in Detroit, Michigan that represent three different land use types (residential demolition, fly ash-impacted, and industrial). Optical analyses, SEM, EDAX, and XRD showed that reference MAs may be classified into five basic compositional types (carbonaceous, calcareous, siliceous, ferruginous and miscellaneous). Reference MAs were generally distinguishable using optical microscopy by color, luster, fracture and microtexture. MAs that were more difficult to classify were further differentiable when using SEM, EDAX, and XRD. MAs were found in all of the anthropogenic soils studied, but were highly variable. All three study sites had concentrations coal-related wastes were the most common types of MAs observed and often included coal, ash (microspheres, microagglomerate), cinders, and burnt shale. MAs derived from waste building materials such as brick, mortar, and glass, were typically found on residential demolition sites. Manufacturing waste MAs, which included iron-making slag and coked coal were commonly observed on industrial sites. Fly ash-impacted sites were composed of only microspheres and microagglomerate that were concentrated within the soils by airborne deposition, making it widespread. These results support the hypothesis that MA assemblages of distinct composition vary with land use. Therefore, it seems likely that magnetic susceptibility surveying and other geophysical methods will prove effective for mapping anthropogenic soils on vacant urban land. Anthropogenic soils and MAs were assessed for pH, electrical conductivity (EC), and magnetic susceptibility (MS). The A horizons of urban soils at residential demolition, industrial-impacted, and fly ash-impacted sites were found to be distinguishable from those of native soils. Anthropogenic soils were higher by one pH unit or more than the background level, had an EC value two to three times the background level, and had MS measurements up to 20 times greater than the background level. The analysis of reference artifacts suggested that the elevated pH of anthropogenic soils was caused by calcareous building material wastes, the elevated EC were the result of both calcareous and ferruginous wastes, and elevated MS were attributable to ferromagnetic materials. Anthropogenic soils collected at residential demolition sites were differentiable by EC, whereas those at collected form industrial sites were distinguishable using MS. Therefore, anthropogenic soils and native soils have a unique chemical and geophysical signature which can be highly dependent on the concentration of MAs. This suggests that EC and MS surveying methods may be used to remotely sense and map urban soils more effectively than using traditional methods alone.

The effect of TiO2 concentration on properties of apatite-mullite glass-ceramics for dental use.

PubMed

Fathi, Hawa M; Johnson, Anthony

2016-02-01

The aim of this study was to evaluate the effect of TiO2 concentration on the properties of apatite-mullite glass-ceramics namely strength and the chemical solubility to comply with the ISO standard recommendations for dental ceramics (BS EN ISO 6872-2008). Ten novel glass-ceramic materials were produced based on the general formula (4.5SiO2-3Al2O3-1.5P2O5-3CaO-CaF2-xTiO2) where x varied from 0.5 to 5 wt%. Glass with no TiO2 added (HG1T0.0) was used as a reference. Discs of 12 mm diameter and 1.6 mm (±0.2 mm) thickness were prepared for both biaxial flexural strength (BFS) and chemical solubility testing, in accordance with the BS EN ISO 6872-2008 for dental ceramics. All produced materials were investigated using differential thermal analysis (DTA), X-ray diffraction (XRD), and scanning electron microscopy (SEM). Energy dispersive X-ray analysis (EDS) was also carried out on some samples to identify the element composition of samples. Increasing the concentration of TiO2 from 0.5 wt% to 2 wt% significantly (P<0.05) increased the chemical solubility of the material. With the material containing 2.5 wt% of TiO2, the solubility significantly reduced (P<0.05) and resulted in a solubility value of 228.3 μm/cm(2) and BFS value of 197.9 MPa. Increasing the TiO2 concentration more than 2.5 wt%, led to a significant (P<0.05) increase in solubility and a reduction in BFS. TiO2 is an effective agent for improving the durability and the mechanical properties of an apatite-mullite glass-ceramic only up to 2.5 wt% concentration. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

[Research on resources chemistry of Chinese medicinal materials and resources recycling utilization ways and goals and tasks].

PubMed

Duan, Jin-ao; Su, Shu-lan; Guo, Sheng; Jiang, Shu; Liu, Pei; Yan, Hui; Qian, Da-wei; Zhu, Hua-xu; Tang, Yu-ping; Wu, Qi-nan

2015-09-01

The objects of research on the resources chemistry of Chinese medicinal materials (RCCMM) are promotion of efficient production, rational utilization and improving quality of CMM and natural products. The development of TCM cause depends on the efficient utilization and sustainable development of CMM, hinges on the technologies and methods for using and discovering medicinal biological resources, stand or fall on the extension of industy chains, detailed utilizaion of resource chemical components by multi-way, multi-level. All of these may help to the recycling utilization and sound development of RCMM. In this article, five respects were discussed to the RCCMM researches and resources recycling utilization ways and goals and tasks. First, based on the principle of resource scarcity, discovering or replacing CMM resources, protecting the rare or endangered species or resources. Second, based on the multifunctionality of CMM, realizing the value-added and value compensation, and promoting the utilization efficiency through systermatic and detailed exploitation and utilization. Third, based on the resource conservation and environment-friendly, reducing raw material consumption, lowering cost, promoting recycling utilization and elevating utilization efficiency. Fourth, based on the stratege of turning harm into good, using the invasive alien biological resources by multi-ways and enriching the medicial resources. Fifth, based on the method of structure modification of chemical components, exploring and enhancing the utility value of resouces chemical substances. These data should provide references and attention for improving the utilization efficiency, promoting the development of recycling economy, and changing the mode of economic growth of agriculture and industry of CMM fundamentally.

Determination of non-certified levoglucosan, sugar polyols and ergosterol in NIST Standard Reference Material 1649a

NASA Astrophysics Data System (ADS)

Pomata, Donatella; Di Filippo, Patrizia; Riccardi, Carmela; Buiarelli, Francesca; Gallo, Valentina

2014-02-01

Organic component of airborne particulate matter originates from both natural and anthropogenic sources whose contributions can be identified through the analysis of chemical markers. The validation of analytical methods for analysis of compounds used as chemical markers is of great importance especially if they must be determined in rather complex matrices. Currently, standard reference materials (SRM) with certified values for all those analytes are not available. In this paper, we report a method for the simultaneous determination of levoglucosan and xylitol as tracers for biomass burning emissions, and arabitol, mannitol and ergosterol as biomarkers for airborne fungi in SRM 1649a, by GC/MS. Their quantitative analysis in SRM 1649a was carried out using both internal standard calibration curves and standard addition method. A matrix effect was observed for all analytes, minor for levoglucosan and major for polyols and ergosterol. The results related to levoglucosan around 160 μg g-1 agreed with those reported by other authors, while no comparison was possible for xylitol (120 μg g-1), arabitol (15 μg g-1), mannitol (18 μg g-1), and ergosterol (0.5 μg g-1). The analytical method used for SRM 1649a was also applied to PM10 samples collected in Rome during four seasonal sampling campaigns. The ratios between annual analyte concentrations in PM10 samples and in SRM 1649a were of the same order of magnitude although particulate matter samples analyzed were collected in two different sites and periods.

Hyperspectral depth-profiling with deep Raman spectroscopy for detecting chemicals in building materials.

PubMed

Cho, Youngho; Song, Si Won; Sung, Jiha; Jeong, Young-Su; Park, Chan Ryang; Kim, Hyung Min

2017-09-25

Toxic chemicals inside building materials have long-term harmful effects on human bodies. To prevent secondary damage caused by the evaporation of latent chemicals, it is necessary to detect the chemicals inside building materials at an early stage. Deep Raman spectroscopy is a potential candidate for on-site detection because it can provide molecular information about subsurface components. However, it is very difficult to spectrally distinguish the Raman signal of the internal chemicals from the background signal of the surrounding materials and to acquire the geometric information of chemicals. In this study, we developed hyperspectral wide-depth spatially offset Raman spectroscopy coupled with a data processing algorithm to identify toxic chemicals, such as chemical warfare agent (CWA) simulants in building materials. Furthermore, the spatial distribution of the chemicals and the thickness of the building material were also measured from one-dimensional (1D) spectral variation.

Preface: Chemical Forensics

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

Fraga, Carlos G.

This virtual special issue is devoted to chemical forensics, a developing scientific discipline that aims to provide information to support the attribution of a chemical (or mixture) of interest to its source. This process is carried out through the analysis of the chemical itself or associated material constituents to address investigative, legal or intelligence questions. “Source” refers to how, where and when a chemical was handled or produced. Source information is critical in investigations of incidents of chemicals used for illicit or nefarious purposes, especially when toxic chemicals are used as weapons. The Chemical Weapons Convention (CWC), an international disarmamentmore » treaty that entered into force in 1997, prohibits the use of chemicals as weapons. This treaty has 192 States Parties (the countries who have joined the treaty) encompassing more than 98% of the global population and landmass, yet chemical attacks have continued to increase since this treaty was opened for signature to the governments of the world in 1993. The first notorious use of a chemical weapon since 1993 was by the Aum Shinrikyo cult whose sarin attack on the Tokyo subway system in March 1995 killed 13 and drove another 6,000 to seek medical treatment. More recently, over 160 alleged chemical attacks have been reported in Syria and Iraq with both governments and terrorist groups being accused, and casualties numbering in the thousands. Additionally, recent high profile nerve agent poisoning of dissidents from North Korea and Russia illustrate a willingness to use chemical threat agents (CTAs) with impunity. Given the threat posed by those that choose to use CTAs as weapons, there is a dire need for advancements in chemical forensics that can be used in investigations and inquiries to help find and hold to account, the perpetrators of chemical attacks.« less

Preface: Chemical Forensics

DOE PAGES

Fraga, Carlos G.

2018-04-22

This virtual special issue is devoted to chemical forensics, a developing scientific discipline that aims to provide information to support the attribution of a chemical (or mixture) of interest to its source. This process is carried out through the analysis of the chemical itself or associated material constituents to address investigative, legal or intelligence questions. “Source” refers to how, where and when a chemical was handled or produced. Source information is critical in investigations of incidents of chemicals used for illicit or nefarious purposes, especially when toxic chemicals are used as weapons. The Chemical Weapons Convention (CWC), an international disarmamentmore » treaty that entered into force in 1997, prohibits the use of chemicals as weapons. This treaty has 192 States Parties (the countries who have joined the treaty) encompassing more than 98% of the global population and landmass, yet chemical attacks have continued to increase since this treaty was opened for signature to the governments of the world in 1993. The first notorious use of a chemical weapon since 1993 was by the Aum Shinrikyo cult whose sarin attack on the Tokyo subway system in March 1995 killed 13 and drove another 6,000 to seek medical treatment. More recently, over 160 alleged chemical attacks have been reported in Syria and Iraq with both governments and terrorist groups being accused, and casualties numbering in the thousands. Additionally, recent high profile nerve agent poisoning of dissidents from North Korea and Russia illustrate a willingness to use chemical threat agents (CTAs) with impunity. Given the threat posed by those that choose to use CTAs as weapons, there is a dire need for advancements in chemical forensics that can be used in investigations and inquiries to help find and hold to account, the perpetrators of chemical attacks.« less

k0-INAA for determining chemical elements in bird feathers

NASA Astrophysics Data System (ADS)

França, Elvis J.; Fernandes, Elisabete A. N.; Fonseca, Felipe Y.; Antunes, Alexsander Z.; Bardini Junior, Claudiney; Bacchi, Márcio A.; Rodrigues, Vanessa S.; Cavalca, Isabel P. O.

2010-10-01

The k0-method instrumental neutron activation analysis ( k0-INAA) was employed for determining chemical elements in bird feathers. A collection was obtained taking into account several bird species from wet ecosystems in diverse regions of Brazil. For comparison reason, feathers were actively sampled in a riparian forest from the Marins Stream, Piracicaba, São Paulo State, using mist nets specific for capturing birds. Biological certified reference materials were used for assessing the quality of analytical procedure. Quantification of chemical elements was performed using the k0-INAA Quantu Software. Sixteen chemical elements, including macro and micronutrients, and trace elements, have been quantified in feathers, in which analytical uncertainties varied from 2% to 40% depending on the chemical element mass fraction. Results indicated high mass fractions of Br (max=7.9 mg kg -1), Co (max=0.47 mg kg -1), Cr (max=68 mg kg -1), Hg (max=2.79 mg kg -1), Sb (max=0.20 mg kg -1), Se (max=1.3 mg kg -1) and Zn (max=192 mg kg -1) in bird feathers, probably associated with the degree of pollution of the areas evaluated. In order to corroborate the use of k0-INAA results in biomonitoring studies using avian community, different factor analysis methods were used to check chemical element source apportionment and locality clustering based on feather chemical composition.

EARTHSHINE ON A YOUNG MOON: EXPLAINING THE LUNAR FARSIDE HIGHLANDS

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

Roy, Arpita; Wright, Jason T.; Sigurðsson, Steinn

2014-06-20

The lunar farside highlands problem refers to the curious and unexplained fact that the farside lunar crust is thicker, on average, than the nearside crust. Here we recognize the crucial influence of Earthshine, and propose that it naturally explains this hemispheric dichotomy. Since the accreting Moon rapidly achieved synchronous rotation, a surface and atmospheric thermal gradient was imposed by the proximity of the hot, post-giant impact Earth. This gradient guided condensation of atmospheric and accreting material, preferentially depositing crust-forming refractories on the cooler farside, resulting in a primordial bulk chemical inhomogeneity that seeded the crustal asymmetry. Our model provides amore » causal solution to the lunar highlands problem: the thermal gradient created by Earthshine produced the chemical gradient responsible for the crust thickness dichotomy that defines the lunar highlands.« less

Polarization-based and specular-reflection-based noncontact latent fingerprint imaging and lifting

NASA Astrophysics Data System (ADS)

Lin, Shih-Schön; Yemelyanov, Konstantin M.; Pugh, Edward N., Jr.; Engheta, Nader

2006-09-01

In forensic science the finger marks left unintentionally by people at a crime scene are referred to as latent fingerprints. Most existing techniques to detect and lift latent fingerprints require application of a certain material directly onto the exhibit. The chemical and physical processing applied to the fingerprint potentially degrades or prevents further forensic testing on the same evidence sample. Many existing methods also have deleterious side effects. We introduce a method to detect and extract latent fingerprint images without applying any powder or chemicals on the object. Our method is based on the optical phenomena of polarization and specular reflection together with the physiology of fingerprint formation. The recovered image quality is comparable to existing methods. In some cases, such as the sticky side of tape, our method shows unique advantages.

Laser ablation in analytical chemistry - A review

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

Russo, Richard E.; Mao, Xianglei; Liu, Haichen

Laser ablation is becoming a dominant technology for direct solid sampling in analytical chemistry. Laser ablation refers to the process in which an intense burst of energy delivered by a short laser pulse is used to sample (remove a portion of) a material. The advantages of laser ablation chemical analysis include direct characterization of solids, no chemical procedures for dissolution, reduced risk of contamination or sample loss, analysis of very small samples not separable for solution analysis, and determination of spatial distributions of elemental composition. This review describes recent research to understand and utilize laser ablation for direct solid sampling,more » with emphasis on sample introduction to an inductively coupled plasma (ICP). Current research related to contemporary experimental systems, calibration and optimization, and fractionation is discussed, with a summary of applications in several areas.« less

Rational chemical design of the next generation of molecular imaging probes based on physics and biology: mixing modalities, colors and signals

PubMed Central

Longmire, Michelle R.; Ogawa, Mikako; Choyke, Peter L.

2012-01-01

In recent years, numerous in vivo molecular imaging probes have been developed. As a consequence, much has been published on the design and synthesis of molecular imaging probes focusing on each modality, each type of material, or each target disease. More recently, second generation molecular imaging probes with unique, multi-functional, or multiplexed characteristics have been designed. This critical review focuses on (i) molecular imaging using combinations of modalities and signals that employ the full range of the electromagnetic spectra, (ii) optimized chemical design of molecular imaging probes for in vivo kinetics based on biology and physiology across a range of physical sizes, (iii) practical examples of second generation molecular imaging probes designed to extract complementary data from targets using multiple modalities, color, and comprehensive signals (277 references). PMID:21607237

The importance of reference materials in doping-control analysis.

PubMed

Mackay, Lindsey G; Kazlauskas, Rymantas

2011-08-01

Currently a large range of pure substance reference materials are available for calibration of doping-control methods. These materials enable traceability to the International System of Units (SI) for the results generated by World Anti-Doping Agency (WADA)-accredited laboratories. Only a small number of prohibited substances have threshold limits for which quantification is highly important. For these analytes only the highest quality reference materials that are available should be used. Many prohibited substances have no threshold limits and reference materials provide essential identity confirmation. For these reference materials the correct identity is critical and the methods used to assess identity in these cases should be critically evaluated. There is still a lack of certified matrix reference materials to support many aspects of doping analysis. However, in key areas a range of urine matrix materials have been produced for substances with threshold limits, for example 19-norandrosterone and testosterone/epitestosterone (T/E) ratio. These matrix-certified reference materials (CRMs) are an excellent independent means of checking method recovery and bias and will typically be used in method validation and then regularly as quality-control checks. They can be particularly important in the analysis of samples close to threshold limits, in which measurement accuracy becomes critical. Some reference materials for isotope ratio mass spectrometry (IRMS) analysis are available and a matrix material certified for steroid delta values is currently under production. In other new areas, for example the Athlete Biological Passport, peptide hormone testing, designer steroids, and gene doping, reference material needs still need to be thoroughly assessed and prioritised.

High-temperature testing of high performance fiber reinforced concrete

NASA Astrophysics Data System (ADS)

Fořt, Jan; Vejmelková, Eva; Pavlíková, Milena; Trník, Anton; Čítek, David; Kolísko, Jiří; Černý, Robert; Pavlík, Zbyšek

2016-06-01

The effect of high-temperature exposure on properties of High Performance Fiber Reinforced Concrete (HPFRC) is researched in the paper. At first, reference measurements are done on HPFRC samples without high-temperature loading. Then, the HPFRC samples are exposed to the temperatures of 200, 400, 600, 800, and 1000 °C. For the temperature loaded samples, measurement of residual mechanical and basic physical properties is done. Linear thermal expansion coefficient as function of temperature is accessed on the basis of measured thermal strain data. Additionally, simultaneous difference scanning calorimetry (DSC) and thermogravimetry (TG) analysis is performed in order to observe and explain material changes at elevated temperature. It is found that the applied high temperature loading significantly increases material porosity due to the physical, chemical and combined damage of material inner structure, and negatively affects also the mechanical strength. Linear thermal expansion coefficient exhibits significant dependence on temperature and changes of material structure. The obtained data will find use as input material parameters for modelling the damage of HPFRC structures exposed to the fire and high temperature action.

TU-CD-207-01: Characterization of Breast Tissue Composition Using Spectral Mammography

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

Ding, H; Cho, H; Kumar, N

Purpose: To investigate the feasibility of characterizing the chemical composition of breast tissue, in terms of water and lipid, by using spectral mammography in simulation and postmortem studies. Methods: Analytical simulations were performed to obtain low- and high-energy signals of breast tissue based on previously reported water, lipid, and protein contents. Dual-energy decomposition was used to characterize the simulated breast tissue into water and lipid basis materials and the measured water density was compared to the known value. In experimental studies, postmortem breasts were imaged with a spectral mammography system based on a scanning multi-slit Si strip photon-counting detector. Low-more » and high-energy images were acquired simultaneously from a single exposure by sorting the recorded photons into the corresponding energy bins. Dual-energy material decomposition of the low- and high-energy images yielded individual pixel measurements of breast tissue composition in terms of water and lipid thicknesses. After imaging, each postmortem breast was chemically decomposed into water, lipid and protein. The water density calculated from chemical analysis was used as the reference gold standard. Correlation of the water density measurements between spectral mammography and chemical analysis was analyzed using linear regression. Results: Both simulation and postmortem studies showed good linear correlation between the decomposed water thickness using spectral mammography and chemical analysis. The slope of the linear fitting function in the simulation and postmortem studies were 1.15 and 1.21, respectively. Conclusion: The results indicate that breast tissue composition, in terms of water and lipid, can be accurately measured using spectral mammography. Quantitative breast tissue composition can potentially be used to stratify patients according to their breast cancer risk.« less

Chemical reactor for converting a first material into a second material

DOEpatents

Kong, Peter C

2012-10-16

A chemical reactor and method for converting a first material into a second material is disclosed and wherein the chemical reactor is provided with a feed stream of a first material which is to be converted into a second material; and wherein the first material is combusted in the chemical reactor to produce a combustion flame, and a resulting gas; and an electrical arc is provided which is passed through or superimposed upon the combustion flame and the resulting gas to facilitate the production of the second material.

New Organic Stable Isotope Reference Materials for Distribution through the USGS and the IAEA

NASA Astrophysics Data System (ADS)

Schimmelmann, Arndt; Qi, Haiping

2014-05-01

The widespread adoption of relative stable isotope-ratio measurements in organic matter by diverse scientific disciplines is at odds with the dearth of international organic stable isotopic reference materials (RMs). Only two of the few carbon (C) and nitrogen (N) organic RMs, namely L-glutamic acids USGS40 and USGS41 [1], both available from the U.S. Geological Survey (USGS) and the International Atomic Energy Agency (IAEA), provide an isotopically contrasting pair of organic RMs to enable essential 2-point calibrations for δ-scale normalization [2, 3]. The supply of hydrogen (H) organic RMs is even more limited. Numerous stable isotope laboratories have resorted to questionable practices, for example by using 'CO2, N2, and H2 reference gas pulses' for isotopic calibrations, which violates the principle of identical treatment of sample and standard (i.e., organic unknowns should be calibrated directly against chemically similar organic RMs) [4], or by using only 1 anchor instead of 2 for scale calibration. The absence of international organic RMs frequently serves as an excuse for indefensible calibrations. In 2011, the U.S. National Science Foundation (NSF) funded an initiative of 10 laboratories from 7 countries to jointly develop much needed new organic RMs for future distribution by the USGS and the IAEA. The selection of targeted RMs attempts to cover various common compound classes of broad technical and scientific interest. We had to accept compromises to approach the ideal of high chemical stability, lack of toxicity, and low price of raw materials. Hazardous gases and flammable liquids were avoided in order to facilitate international shipping of future RMs. With the exception of polyethylene and vacuum pump oil, all organic RMs are individual, chemically-pure substances, which can be used for compound-specific isotopic measurements in conjunction with liquid and gas chromatographic interfaces. The compounds listed below are under isotopic calibration by the 10 laboratories. Successfully calibrated organic RMs could become available as early as 2015. - n-Hexadecane (C16 n-alkane), three H, C-isotopic varieties; - Glycine (amino acid), three H, C, N-isotopic varieties; - L-valine (amino acid), three H, C, N-isotopic varieties; - Methyl n-heptadecanoate (methyl ester of C17 n-alkanoic fatty acid); - Methyl icosanoate (methyl ester of C20 n-alkanoic fatty acid), three H, C-isotopic varieties; - Caffeine, three H, C, N-isotopic varieties; - Hydrocarbon vacuum pump oils, two H-isotopic varieties; - Polyethylene powder, and possibly a 2H and 13C-enriched polyethylene string. [1] Qi H., Coplen T.B., Geilmann H., Brand W.A., Böhlke J.K. (2003) Two new organic reference materials for δ13C and δ15N measurements and a new value for the δ13C of NBS 22 oil. Rapid Communications in Mass Spectrometry 17, 2483-2487. [2] Coplen T.B. (1996) New guidelines for reporting stable hydrogen, carbon, and oxygen isotope-ratio data. Geochimica et Cosmochimica Acta 60, 3359-3360. [3] Coplen T.B., Brand W.A., Gehre M., Gröning M., Meijer H.A.J., Toman B., Verkouteren R.M. (2006) New guidelines for δ13C measurements. Analytical Chemistry 78 (7), 2439-2441. [4] Werner R.A., Brand W.A. (2001) Referencing strategies and techniques in stable isotope ratio analysis. Rapid Communications in Mass Spectrometry 15, 501-519.

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

Morita, M.

Chlorinated benzenes are composed of twelve chemical species: one mono-, three di-, three tri-, three tetra-, one penta-, and one hexachlorobenzene. Most of these are not only important intermediates for various kinds of chemicals but are also extensively employed for various applications singly or in combination. For example, 1,4-dichlorobenzene is used chiefly against termites in soil; trichlorobenzenes are used as solvents for pesticides and also as heat transfer agents with PCBs; the mixture of trichlorobenzene and tetrachlorobenzene is applied in controlling shellfish predators; and hexachlorobenzene is applied to wheat as a fungicide in some countries and as an additive tomore » rubber products. The annual production (1973) of monochlorobenzene, 1,2-dichlorobenzene, and 1,4-dichlorobenzene in Japan was about 23,000, 9000, and 20,000, tons, respectively. Production volumes of other chlorinated benzenes are not well known but are assumed to be smaller than those of the above three compounds. The total annual production of chlorinated benzenes far surpasses the peak production of PCBs (7000 tons/year) which are known as a ubiquitous pollutant in this country. Since chlorinated benzenes have a chemical structure and properties similar to those of PCBs and PCTs, it seemed necessary to direct our attention to environmental contamination by these materials. The present paper describes only the occurrence and the fate of these materials. Toxicity and biological impact are not referred to here.« less

Analytical methods of the U.S. Geological Survey's New York District Water-Analysis Laboratory

USGS Publications Warehouse

Lawrence, Gregory B.; Lincoln, Tricia A.; Horan-Ross, Debra A.; Olson, Mark L.; Waldron, Laura A.

1995-01-01

The New York District of the U.S. Geological Survey (USGS) in Troy, N.Y., operates a water-analysis laboratory for USGS watershed-research projects in the Northeast that require analyses of precipitation and of dilute surface water and soil water for major ions; it also provides analyses of certain chemical constituents in soils and soil gas samples.This report presents the methods for chemical analyses of water samples, soil-water samples, and soil-gas samples collected in wateshed-research projects. The introduction describes the general materials and technicques for each method and explains the USGS quality-assurance program and data-management procedures; it also explains the use of cross reference to the three most commonly used methods manuals for analysis of dilute waters. The body of the report describes the analytical procedures for (1) solution analysis, (2) soil analysis, and (3) soil-gas analysis. The methods are presented in alphabetical order by constituent. The method for each constituent is preceded by (1) reference codes for pertinent sections of the three manuals mentioned above, (2) a list of the method's applications, and (3) a summary of the procedure. The methods section for each constitutent contains the following categories: instrumentation and equipment, sample preservation and storage, reagents and standards, analytical procedures, quality control, maintenance, interferences, safety considerations, and references. Sufficient information is presented for each method to allow the resulting data to be appropriately used in environmental investigations.

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.

PubMed

Westbrook, John D; Shao, Chenghua; Feng, Zukang; Zhuravleva, Marina; Velankar, Sameer; Young, Jasmine

2015-04-15

The Chemical Component Dictionary (CCD) is a chemical reference data resource that describes all residue and small molecule components found in Protein Data Bank (PDB) entries. The CCD contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, chemical descriptors, systematic chemical names and idealized coordinates. The content, preparation, validation and distribution of this CCD chemical reference dataset are described. The CCD is updated regularly in conjunction with the scheduled weekly release of new PDB structure data. The CCD and amino acid variant reference datasets are hosted in the public PDB ftp repository at ftp://ftp.wwpdb.org/pub/pdb/data/monomers/components.cif.gz, ftp://ftp.wwpdb.org/pub/pdb/data/monomers/aa-variants-v1.cif.gz, and its mirror sites, and can be accessed from http://wwpdb.org. jwest@rcsb.rutgers.edu. Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Response to “Accurate Risk-Based Chemical Screening Relies on Robust Exposure Estimates”

EPA Science Inventory

This is a correspondence (letter to the editor) with reference to comments by Rudel and Perovich on the article "Integration of Dosimetry, Exposure, and High-Throughput Screening Data in Chemical Toxicity Assessment". Article Reference: SI # 238882

Contribution to the certification of B, Cd, Cu, Mg and Pb in a synthetic water sample, by use of isotope-dilution ICP-MS, for Comparison 12 of the International Measurement Evaluation Programme.

PubMed

Diemer, J; Quétel, C R; Taylor, P D P

2002-09-01

The contribution of the Institute for Reference Materials and Measurements to the certification of the B, Cd, Cu, Mg, and Pb content of a synthetic water sample used in Comparison 12 of the International Measurement Evaluation Programme (IMEP-12) is described. The aim of the IMEP programme is to demonstrate objectively the degree of equivalence and quality of chemical measurements of individual laboratories on the international scene by comparing them with reference ranges traceable to the SI (Système International d'Unités). IMEP is organized in support of European Union policies and helps to improve the traceability of values produced by field chemical measurement laboratories. The analytical procedure used to establish the reference values for the B, Cd, Cu, Mg, and Pb content of the IMEP-12 sample is based on inductively coupled plasma-isotope-dilution mass spectrometry (ICP-IDMS) applied as a primary method of measurement. The measurements performed for the IMEP-12 study are described in detail. Focus is on the element boron, which is particularly difficult to analyze by ICP-MS because of potential problems of low sensitivity, high mass discrimination, memory effects, and abundance sensitivity. For each of the certified amount contents presented here a total uncertainty budget was calculated using the method of propagation of uncertainties according to ISO (International Organization for Standardization) and Eurachem guidelines. For all investigated elements with concentrations in the low micro g kg(-1) and mg kg(-1) range (corresponding to pmol kg(-1) to the high micro mol kg(-1) level), SI-traceable reference values with relative expanded uncertainties ( k=2) of less than 2 % were obtained.

Detecting Nanophase Weathering Products with CheMin: Reference Intensity Ratios of Allophane, Aluminosilicate Gel, and Ferrihydrite

NASA Technical Reports Server (NTRS)

Rampe, E. B.; Bish, D. L.; Chipera, S. J.; Morris, R. V.; Achilles, C. N.; Ming, D W.; Blake, D. F.; Anderson, R. C.; Bristow, T. F.; Crisp, A.;

Chemistry of grapes and other fruits as the raw materials involved in winemaking

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

Gallander, J.F.

The chemical composition of raw fruits is significant in winemaking and wine quality. The chemistry of grapes is particularly important to winemaking, but the composition of other fruits such as apples, pears, cherries, and blackberries is also discussed. Sugars in fruits and their importance in winemaking are discussed. Since wine acidity is essential to biological stability and tartness, information concerning organic acids is presented for several fruits. The occurrence and significance to winemaking of other essential constituents of fruits such as vitamins, enzymes, pectins, minerals, aromatic volatiles, and nitrogenous and phenolic substances are also discussed. 277 references.

Disk Chemistry and Cometary Composition

NASA Astrophysics Data System (ADS)

Markwick, A. J.; Charnley, S. B.

2003-05-01

We will describe current chemical modelling of disks similar to the protosolar nebula. Calculations are being undertaken to determine the spatial and temporal chemistry of the gas and dust within the 5-40AU comet-forming region of the nebula. These theoretical studies aim to determine the contribution of pristine and partially-processed interstellar material from the cool outer nebula, as compared to that obtained from outward radial mixing of matter from the hot inner nebula. Reference Molecular distributions in the inner regions of protostellar disks, Markwick, A. J., Ilgner, M., Millar, T. J., Henning, Th. (2002), Astron. Astrophys., 385, 632.

Disk Chemistry and Cometary Composition

NASA Astrophysics Data System (ADS)

Markwick, A. J.; Charnley, S. B.

2005-01-01

We will describe current chemical modelling of disks similar to the protosolar nebula. Calculations are being undertaken to determine the spatial and temporal chemistry of the gas and dust within the 5-40AU comet-forming region of the nebula. These theoretical studies aim to determine the contribution of pristine and partially-processed interstellar material from the cool outer nebula as compared to that obtained from outward radial mixing of matter from the hot inner nebula. Reference Molecular distributions in the inner regions of protostellar disks Markwick A. J. Ilgner M. Millar T. J. Henning Th. (2002) Astron. Astrophys. 385 632

Bisphenol A polycarbonate as a reference material

NASA Technical Reports Server (NTRS)

Hilado, C. J.; Cumming, H. J.; Williams, J. B.

1977-01-01

Test methods require reference materials to standardize and maintain quality control. Various materials have been evaluated as possible reference materials, including a sample of bisphenol A polycarbonate without additives. Screening tests for relative toxicity under various experimental conditions were performed using male mice exposed to pyrolysis effluents over a 200-800 C temperature range. It was found that the bisphenol A polycarbonate served as a suitable reference material as it is available in large quantities, and does not significantly change with time.

Towards the identification of molecular constituents associated with the surfaces of isoprene-derived secondary organic aerosol (SOA) particles

NASA Astrophysics Data System (ADS)

Ebben, C. J.; Strick, B. F.; Upshur, M. A.; Chase, H. M.; Achtyl, J. L.; Thomson, R. J.; Geiger, F. M.

2014-03-01

Secondary organic aerosol (SOA) particle formation ranks among the least understood chemical processes in the atmosphere, rooted in part in the lack of knowledge about chemical composition and structure at the particle surface, and little availability of reference compounds needed for benchmarking and chemical identification in pure and homogenous form. Here, we synthesize and characterize SOA particle constituents consisting of the isoprene oxidation products α-, δ-, and cis- and trans-β-IEPOX (isoprene epoxide), as well as syn- and anti-2-methyltetraol. Paying particular attention to their phase state (condensed vs. vapor), we carry out a surface-specific and orientationally selective chemical analysis by vibrational sum frequency generation (SFG) spectroscopy of these compounds in contact with a fused silica window. Comparison to the vibrational SFG spectra of synthetic isoprene-derived SOA particle material prepared at the Harvard Environmental Chamber yields a plausible match with trans-β-IEPOX, suggesting it is an abundant species on their surfaces, while the other species studied here, if present, appear to be SFG inactive and thus likely to be localized in a centrosymmetric environment, e.g., the particle bulk. No match is found for authentic SOA particle material collected at the site of the Amazonian Aerosol Characterization Experiment (AMAZE-08) with the surface SFG spectra of the compounds surveyed here, yet we cannot rule out this mismatch being attributable to differences in molecular orientation. The implications of our findings for SOA formation are discussed in the context of condensational particle growth and reactivity.

Dr. William Tumas - Associate Laboratory Director, Materials and Chemical

Science.gov Websites

Chemical Science and Technology Dr. William Tumas - Associate Laboratory Director, Materials and Chemical , technical direction, and workforce development of the materials and chemical science and technology , program management, and program execution. He joined NREL in December 2009 as Director of the Chemical and

Mn and Btex Reference Value Arrays (Final Reports)

EPA Science Inventory

These final reports are a summary of reference value arrays with critical supporting documentation for the chemicals manganese, benzene, toluene, ethylbenzene, and xylene. Each chemical is covered in a separate document, and each is a statement of the status of the available inha...

CADDIS Volume 2. Sources, Stressors and Responses: Unspecified Toxic Chemicals

EPA Pesticide Factsheets

Intro to the unspecified toxic chemicals module, when to list toxic chemicals as a candidate cause, ways to measure toxic chemicals, simple and detailed conceptual diagrams for toxic chemicals, toxic chemicals module references and literature reviews.

Influence of chemical straightening on the stability of drugs of abuse in hair.

PubMed

Pritchett, Jeanita S; Phinney, Karen W

2015-01-01

Chemical straightening, also known as a relaxer, is ubiquitously used among African American women to obtain straighter hair compared with their natural tresses. This study focused on the stability of drugs of abuse in hair after a single application of the relaxer. Commercially available 'Lye' or 'No-Lye' chemical straightening products (Silk Elements™) were applied in vitro to drug-fortified hair (standard reference materials (SRM) 2379 and 2380) and hairs clipped from established drug users. Target analytes (cocaine (COC), benzoylecgonine (BZE), cocaethylene (CE), phencyclidine and tetrahydrocannabinol) were isolated using solid-phase extraction and then analyzed with isotope dilution gas chromatography-mass spectrometry with selective ion monitoring. After either treatment, drug concentrations were significantly (P < 0.05) decreased in both the SRM sample and the hair from authentic abusers. In the SRM groups, 6-67% of the original concentration remained after a single chemical treatment. Similarly, only 5-30% of the original concentration remained in authentic drug hairs that had formerly tested positive for COC, BZE and CE. Published by Oxford University Press 2014. This work is written by (a) US Government employee(s) and is in the public domain in the US.

Synthetic quorum sensing in model microcapsule colonies

NASA Astrophysics Data System (ADS)

Shum, Henry; Balazs, Anna C.

2017-08-01

Biological quorum sensing refers to the ability of cells to gauge their population density and collectively initiate a new behavior once a critical density is reached. Designing synthetic materials systems that exhibit quorum sensing-like behavior could enable the fabrication of devices with both self-recognition and self-regulating functionality. Herein, we develop models for a colony of synthetic microcapsules that communicate by producing and releasing signaling molecules. Production of the chemicals is regulated by a biomimetic negative feedback loop, the “repressilator” network. Through theory and simulation, we show that the chemical behavior of such capsules is sensitive to both the density and number of capsules in the colony. For example, decreasing the spacing between a fixed number of capsules can trigger a transition in chemical activity from the steady, repressed state to large-amplitude oscillations in chemical production. Alternatively, for a fixed density, an increase in the number of capsules in the colony can also promote a transition into the oscillatory state. This configuration-dependent behavior of the capsule colony exemplifies quorum-sensing behavior. Using our theoretical model, we predict the transitions from the steady state to oscillatory behavior as a function of the colony size and capsule density.

40 CFR 1045.810 - What materials does this part reference?

Code of Federal Regulations, 2010 CFR

2010-07-01

... Definitions and Other Reference Information § 1045.810 What materials does this part reference? Documents... material. Table 1 to this section lists material from the Society of Automotive Engineers that we have... the Society of Automotive Engineers, 400 Commonwealth Drive, Warrendale, PA 15096 or http://www.sae...

Method and apparatus for assessing material properties of sheet-like materials

DOEpatents

Telschow, Kenneth L.; Deason, Vance A.

2002-01-01

Apparatus for producing an indication of a material property of a sheet-like material according to the present invention may comprise an excitation source for vibrating the sheet-like material to produce at least one traveling wave therein. A light source configured to produce an object wavefront and a reference wavefront directs the object wavefront toward the sheet-like material to produce a modulated object wavefront. A modulator operatively associated with the reference wavefront modulates the reference wavefront in synchronization with the traveling wave on the sheet-like material to produce a modulated reference wavefront. A sensing medium positioned to receive the modulated object wavefront and the modulated reference wavefront produces an image of the traveling wave in the sheet-like material, the image of the anti-symmetric traveling wave being related to a displacement amplitude of the anti-symmetric traveling wave over a two-dimensional area of the vibrating sheet-like material. A detector detects the image of the traveling wave in the sheet-like material.

CADDIS Volume 2. Sources, Stressors and Responses: Unspecified Toxic Chemicals - Simple Conceptual Diagram

EPA Pesticide Factsheets

Intro to the unspecified toxic chemicals module, when to list toxic chemicals as a candidate cause, ways to measure toxic chemicals, simple and detailed conceptual diagrams for toxic chemicals, toxic chemicals module references and literature reviews.

CADDIS Volume 2. Sources, Stressors and Responses: Unspecified Toxic Chemicals - Detailed Conceptual Diagram

EPA Pesticide Factsheets

Intro to the unspecified toxic chemicals module, when to list toxic chemicals as a candidate cause, ways to measure toxic chemicals, simple and detailed conceptual diagrams for toxic chemicals, toxic chemicals module references and literature reviews.

Atmospheric aerosols: A literature summary of their physical characteristics and chemical composition

NASA Technical Reports Server (NTRS)

Harris, F. S., Jr.

1976-01-01

This report contains a summary of 199 recent references on the characterization of atmospheric aerosols with respect to their composition, sources, size distribution, and time changes, and with particular reference to the chemical elements measured by modern techniques, especially activation analysis.

Pancam Multispectral and APXS Chemical Examination of Rocks and Soils in Marathon Valley and Points South Along the Rim of Endeavour Crater

NASA Technical Reports Server (NTRS)

Farrand, W. H.; Johnson, J. R.; Bell, J. F., III; Mittlefehldt, D. W.; Gellert, R.; VanBommel, S.; Arvidson, R. E.; Schroder, C.

2017-01-01

The Mars Exploration Rover Opportunity has concluded its exploration of Marathon Valley, a 100-meter-wide valley in the western rim of the 22-kilometer-diameter Endeavour crater. Orbital observations from CRISM (Compact Reconnaissance Imaging Spectrometer for Mars) indicated the presence of Fe smectites in Marathon Valley. Since leaving the valley, Opportunity has been traversing along the inner rim of the crater, and currently towards the outer rim. This presentation describes the Pancam 430 to 1009 nanometer (VNIR - Visible and Near Infared) multispectral reflectance and APXS (Alpha Particle X-ray Spectrometer) chemical compositions of rock and soil units observed during the latter portions of the Marathon Valley campaign on the Knudson Ridge area and observations of those materi-als along the traverse to the south. Full Pancam spectral coverage of rock targets consists of 13 filter (13f) data collections with 11 spectrally unique channels with data processing. Data were examined using spectral parameters, decorrelation stretch composites, and spectral mixture analysis. Note that color terms used here refer to colors in various false-color renditions, not true colors. The APXS determines major and select trace element compositions of targets.

Biocompatibility of Titania Nanotube Coatings Enriched with Silver Nanograins by Chemical Vapor Deposition

PubMed Central

Piszczek, Piotr; Lewandowska, Żaneta; Radtke, Aleksandra; Kozak, Wiesław; Sadowska, Beata; Szubka, Magdalena; Talik, Ewa; Fiori, Fabrizio

2017-01-01

Bioactivity investigations of titania nanotube (TNT) coatings enriched with silver nanograins (TNT/Ag) have been carried out. TNT/Ag nanocomposite materials were produced by combining the electrochemical anodization and chemical vapor deposition methods. Fabricated coatings were characterized by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The release effect of silver ions from TNT/Ag composites immersed in bodily fluids, has been studied using inductively coupled plasma mass spectrometry (ICP-MS). The metabolic activity assay (MTT) was applied to determine the L929 murine fibroblasts adhesion and proliferation on the surface of TNT/Ag coatings. Moreover, the results of immunoassays (using peripheral blood mononuclear cells—PBMCs isolated from rats) allowed the estimation of the immunological activity of TNT/Ag surface materials. Antibacterial activity of TNT/Ag coatings with different morphological and structural features was estimated against two Staphylococcus aureus strains (ATCC 29213 and H9). The TNT/Ag nanocomposite layers produced revealed a good biocompatibility promoting the fibroblast adhesion and proliferation. A desirable anti-biofilm activity against the S. aureus reference strain was mainly noticed for these TiO2 nanotube coatings, which contain dispersed Ag nanograins deposited on their surface. PMID:28914821

Recycling-oriented characterization of plastic frames and printed circuit boards from mobile phones by electronic and chemical imaging.

PubMed

Palmieri, Roberta; Bonifazi, Giuseppe; Serranti, Silvia

2014-11-01

This study characterizes the composition of plastic frames and printed circuit boards from end-of-life mobile phones. This knowledge may help define an optimal processing strategy for using these items as potential raw materials. Correct handling of such a waste is essential for its further "sustainable" recovery, especially to maximize the extraction of base, rare and precious metals, minimizing the environmental impact of the entire process chain. A combination of electronic and chemical imaging techniques was thus examined, applied and critically evaluated in order to optimize the processing, through the identification and the topological assessment of the materials of interest and their quantitative distribution. To reach this goal, end-of-life mobile phone derived wastes have been systematically characterized adopting both "traditional" (e.g. scanning electronic microscopy combined with microanalysis and Raman spectroscopy) and innovative (e.g. hyperspectral imaging in short wave infrared field) techniques, with reference to frames and printed circuit boards. Results showed as the combination of both the approaches (i.e. traditional and classical) could dramatically improve recycling strategies set up, as well as final products recovery. Copyright © 2014 Elsevier Ltd. All rights reserved.

Analysis of Food Contaminants, Residues, and Chemical Constituents of Concern

NASA Astrophysics Data System (ADS)

Ismail, Baraem; Reuhs, Bradley L.; Nielsen, S. Suzanne

The food chain that starts with farmers and ends with consumers can be complex, involving multiple stages of production and distribution (planting, harvesting, breeding, transporting, storing, importing, processing, packaging, distributing to retail markets, and shelf storing) (Fig. 18.1). Various practices can be employed at each stage in the food chain, which may include pesticide treatment, agricultural bioengineering, veterinary drug administration, environmental and storage conditions, processing applications, economic gain practices, use of food additives, choice of packaging material, etc. Each of these practices can play a major role in food quality and safety, due to the possibility of contamination with or introduction (intentionally and nonintentionally) of hazardous substances or constituents. Legislation and regulation to ensure food quality and safety are in place and continue to develop to protect the stakeholders, namely farmers, consumers, and industry. [Refer to reference (1) for information on regulations of food contaminants and residues.

Microbeam Characterization of Corning Archeological Reference Glasses: New Additions to the Smithsonian Microbeam Standard Collection

PubMed Central

Vicenzi, Edward P.; Eggins, Stephen; Logan, Amelia; Wysoczanski, Richard

2002-01-01

An initial study of the minor element, trace element, and impurities in Corning archeological references glasses have been performed using three microbeam techniques: electron probe microanalysis (EPMA), laser ablation ICP-mass spectrometry (LA ICP-MS), and secondary ion mass spectrometry (SIMS). The EPMA results suggest a significant level of heterogeneity for a number of metals. Conversely, higher precision and a larger sampling volume analysis by LA ICP-MS indicates a high degree of chemical uniformity within all glasses, typically <2 % relative (1 σ). SIMS data reveal that small but measurable quantities of volatile impurities are present in the glasses, including H at roughly the 0.0001 mass fraction level. These glasses show promise for use as secondary standards for minor and trace element analyses of insulating materials such as synthetic ceramics, minerals, and silicate glasses. PMID:27446764

Advances in Degradable Embolic Microspheres: A State of the Art Review

PubMed Central

Doucet, Jensen; Kiri, Lauren; O’Connell, Kathleen; Kehoe, Sharon; Lewandowski, Robert J.; Liu, David M.; Abraham, Robert J.; Boyd, Daniel

2018-01-01

Considerable efforts have been placed on the development of degradable microspheres for use in transarterial embolization indications. Using the guidance of the U.S. Food and Drug Administration (FDA) special controls document for the preclinical evaluation of vascular embolization devices, this review consolidates all relevant data pertaining to novel degradable microsphere technologies for bland embolization into a single reference. This review emphasizes intended use, chemical composition, degradative mechanisms, and pre-clinical safety, efficacy, and performance, while summarizing the key advantages and disadvantages for each degradable technology that is currently under development for transarterial embolization. This review is intended to provide an inclusive reference for clinicians that may facilitate an understanding of clinical and technical concepts related to this field of interventional radiology. For materials scientists, this review highlights innovative devices and current evaluation methodologies (i.e., preclinical models), and is designed to be instructive in the development of innovative/new technologies and evaluation methodologies. PMID:29373510

Chemical Speciation and Bioaccessibility of Arsenic and Chromiumin Chromated Copper Arsenate-Treated Wood and Soils

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

Nico, Peter S.; Ruby, Michael V.; Lowney, Yvette W.

This research compares the As and Cr chemistry ofdislodgeable residues from Chromated Copper Arsenate (CCA)-treated woodcollected by two different techniques (directly from the board surfaceeither by rubbing with a soft bristle brush or from human hands aftercontact with CCA-treated wood), and demonstrates that these materials areequivalent in terms of the chemical form and bonding of As and Cr and interms of the As leaching behavior. This finding links the extensivechemical characterization and bioavailability testing that has been donepreviously on the brush-removed residue to a material that is derivedfrom human skin contact with CCA-treated wood. Additionally, thisresearch characterizes the arsenic presentmore » in biological fluids (sweatand simulated gastric fluid) following contact with these residues. Thedata demonstrate that in biological fluids, the arsenic is presentprimarily as free arsenate ions.Arsenic-containing soils were alsoextracted into human sweat to evaluate the potential for arsenicdissolution from soils at the skin surface. For soils from field sites,only a small fraction of the total arsenic is soluble in sweat. Based oncomparisons to reference materials that have been used in in vivo dermalabsorption studies, these findings suggest that the actual relativebioavailability via dermal absorption of As from CCA-residues and soilmay be well below the current default value of 3 percent used by U.S.EPA.« less

Evaluation of the influence of mechanical activation on physical and chemical properties of municipal solid waste incineration sludge.

PubMed

Caprai, V; Florea, M V A; Brouwers, H J H

2018-06-15

Despite numerous studies concerning the application of by-products in the construction field, municipal solid waste incineration (MSWI) residues are not widely used as secondary building materials. In some European countries, washing treatment to the full bottom ash (BA) fraction (0-32 mm) is applied, isolating more contaminated particles, smaller than 0.063 mm. Therefore, a MWSI sludge is produced, having a high moisture content, and thus a limited presence of soluble species. In order to enhance its performance as building material, here, dry mechanical activation is applied on MSWI sludge. Thereafter, a reactivity comparison between reference BA and untreated and treated MSWI sludge is provided, evaluating their behaviour in the presence of cement and their pozzolanic activity. Moreover, the mechanical performances, as 25% substitution of Portland cement (PC) are assessed, based on the EN 450. Mechanical activation enhances MSWI sludge physically due to the improved particle morphology and packing. Chemically, the hydration degree of PC is enhanced by the MSWI sludge by ≈25%. The milling treatment proved to be beneficial to the residues performances in the presence of PC, providing 32% higher strength than untreated sample. Environmentally, the compliance with the unshaped material legislation is successfully verified, according to the Soil Quality Decree. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of self-carbon dioxide-generation material for active packaging on pH, water-holding capacity, meat color, lipid oxidation and microbial growth in beef during cold storage.

PubMed

Lee, Seung-Jae; Lee, Seung Yun; Kim, Gap-Don; Kim, Geun-Bae; Jin, Sang Keun; Hur, Sun Jin

2017-08-01

Active packaging refers to the mixing of additive agents into packaging materials with the purpose of maintaining or extending food product quality and shelf life. The aim of this study was to develop an easy and cheap active packaging for beef. Beef loin samples were divided into three packaging groups (C, ziplock bag packaging; T1, vacuum packaging; T2, active packaging) and stored at 4 °C for 21 days. The water-holding capacity was significantly (P < 0.05) higher in C and T2 than in T1 for up to 7 days of storage. The TBARS value was significantly (P < 0.05) lower in T1 and T2 after 7 days of storage. The counts of some microorganism were significantly (P < 0.05) lower in T1 and T2 after 7 days of storage; the total bacterial count and Escherichia coli count were lowest in T2 at the end of storage. These results indicate that active packaging using self-CO 2 -generation materials can extend the shelf life similarly to that observed with vacuum packaging, and that the active packaging method can improve the quality characteristics of beef during cold storage. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Advanced Nanoporous Materials for Micro-Gravimetric Sensing to Trace-Level Bio/Chemical Molecules

PubMed Central

Xu, Pengcheng; Li, Xinxin; Yu, Haitao; Xu, Tiegang

2014-01-01

Functionalized nanoporous materials have been developed recently as bio/chemical sensing materials. Due to the huge specific surface of the nano-materials for molecular adsorption, high hopes have been placed on gravimetric detection with micro/nano resonant cantilevers for ultra-sensitive sensing of low-concentration bio/chemical substances. In order to enhance selectivity of the gravimetric resonant sensors to the target molecules, it is crucial to modify specific groups onto the pore-surface of the nano-materials. By loading the nanoporous sensing material onto the desired region of the mass-type transducers like resonant cantilevers, the micro-gravimetric bio/chemical sensors can be formed. Recently, such micro-gravimetric bio/chemical sensors have been successfully applied for rapid or on-the-spot detection of various bio/chemical molecules at the trace-concentration level. The applicable nanoporous sensing materials include mesoporous silica, zeolite, nanoporous graphene oxide (GO) and so on. This review article focuses on the recent achievements in design, preparation, functionalization and characterization of advanced nanoporous sensing materials for micro-gravimetric bio/chemical sensing. PMID:25313499

[Advances of consolidated bioprocessing based on recombinant strategy].

PubMed

Zheng, Zongbao; Zhao, Meina; Chen, Tao; Zhao, Xueming

2013-10-01

Lignocellulosic biomass represents an abundant, low-cost and renewable source of potentially fermentable sugars. It is acandidate besides petroleum as feedstock for fuel and chemical production. Recent researches on utilizing lignocellulosicsas feedstock boost development of numerous-promising processes for a variety of fuels and chemicals, such as biodiesel, biohydrogen and ethanol. However, high cost in depolymerization is a primary obstacle preventing the use of lignocellulosic biomass as feedstock. Consolidated bioprocessing (CBP), refers to the bioprocess without any exogenous cellulolyotic enzymes added, converting the lignocellulosic material into biochemicals directly, which could potentially avoid the cost of the dedicated enzyme generation step by incorporating enzyme-generating, biomass-degrading and bioproduct-producing capabilities into a single organism through genetic engineering. There are two CBP strategies, native strategy and recombinant strategy. We mainly introduce the recombinant strategy, including its principle, the two responding styles, the contributions of synthetic biology and metabolic engineering and the future challenges.

New developments in thermally stable polymers

NASA Technical Reports Server (NTRS)

Hergenrother, Paul M.

1991-01-01

Advances in high-temperature polymers since 1985 are discussed with the emphasis on the chemistry. High-temperature polymers refer to materials that exhibit glass-transition temperatures greater than 200 C and have the chemical structure expected to provide high thermooxidative stability. Specific polymers or series of polymers were selected to show how the chemical structure influences certain properties. Poly(arylene ethers) and polyimides are the two principal families of polymers discussed. Recent work on poly(arylene ethers) has concentrated on incorporating heterocyclic units within the polymer backbone. Recent polyimide work has centered on the synthesis of new polymers from novel monomers, several containing the trifluoromethyl group strategically located on the molecule. Various members in each of these polymer families display a unique combination of properties, heretofore unattainable. Other families of polymers are also briefly discussed with a polymer from an AB maleimidobenzocyclobutene exhibiting an especially attractive combination of properties.

The isotopic and chemical evolution of planets: Mars as a missing link

NASA Technical Reports Server (NTRS)

Depaolo, D. J.

1988-01-01

The study of planetary bodies has advanced to a stage where it is possible to contemplate general models for the chemical and physical evolution of planetary interiors, which might be referred to as UMPES (Unified Models of Planetary Evolution and Structure). UMPES would be able to predict the internal evolution and structure of a planet given certain input parameters such as mass, distance from the sun, and a time scale for accretion. Such models are highly dependent on natural observations because the basic material properties of planetary interiors, and the processes that take place during the evolution of planets are imperfectly understood. The idea of UMPES was particularly unrealistic when the only information available was from the earth. However, advances have been made in the understanding of the general aspects of planetary evolution now that there is geochemical and petrological data available for the moon and for meteorites.

Human biomonitoring reference values for some non-persistent chemicals in blood and urine derived from the Canadian Health Measures Survey 2009-2013.

PubMed

Khoury, Cheryl; Werry, Kate; Haines, Douglas; Walker, Mike; Malowany, Morie

2018-05-01

The Canadian Health Measures Survey collects nationally representative human biomonitoring data on a suite of chemicals and their metabolites, including many non-persistent chemicals. Data has been collected on non-persistent chemicals, including acrylamide, chlorophenols, environmental phenols and triclocarban, organophosphate insecticides, phthalates, polycyclic aromatic hydrocarbon, pyrethroid insecticides, and volatile organic compounds from 2009 to 2013. Using a systematic approach building on the reference interval concept proposed by the International Federation of Clinical Chemistry and Laboratory Medicine and the International Union of Pure and Applied Chemistry, we derive human biomonitoring reference values (RV 95 s) for these classes of non-persistent chemicals in blood and urine for the general Canadian population. RV 95 s were derived for biomarkers of non-persistent chemicals with widespread detection in Canadians (>66% detection rate). Samples with urinary creatinine levels outside the recommended range of 0.3-3.0 μg/L were excluded. Reference populations were constructed by applying smoking and fasting as exclusion criteria where appropriate. Age and sex were evaluated as possible partitioning criteria and separate RV 95 s were derived for sub-populations in cases where partitioning was deemed necessary. Reference values were derived for 40 biomarkers and represent the first set of RV 95 s for non-persistent chemicals in the general Canadian population. These values provide a measure of the upper margin of background exposure in the general population and can be compared against individual and population human biomonitoring data. RV 95 s can be used to by public health officials to identify individuals with high exposures, and by risk assessors and risk managers to identify atypical exposures or subpopulations with elevated exposures. Crown Copyright © 2018. Published by Elsevier GmbH. All rights reserved.

Reproducibility of polycarbonate reference material in toxicity evaluation

NASA Technical Reports Server (NTRS)

Hilado, C. J.; Huttlinger, P. A.

1981-01-01

A specific lot of bisphenol A polycarbonate has been used for almost four years as the reference material for the NASA-USF-PSC toxicity screening test method. The reproducibility of the test results over this period of time indicate that certain plastics may be more suitable reference materials than the more traditional cellulosic materials.

PHYTOTOX: DATABASE DEALING WITH THE EFFECT OF ORGANIC CHEMICALS ON TERRESTRIAL VASCULAR PLANTS

EPA Science Inventory

A new database, PHYTOTOX, dealing with the direct effects of exogenously supplied organic chemicals on terrestrial vascular plants is described. The database consists of two files, a Reference File and Effects File. The Reference File is a bibliographic file of published research...

Graphical Arrays of Chemical-Specific Health Effect Reference Values for Inhalation Exposures (2009 Final Report)

EPA Science Inventory

This document provides graphical arrays and tables of key information on the derivation of human inhalation health effect reference values for specific chemicals, allowing comparisons across durations, populations, and intended use. A number of program offices within the Agency, ...

Integrated Model of Chemical Perturbations of a Biological ...

EPA Pesticide Factsheets

We demonstrate a computational network model that integrates 18 in vitro, high-throughput screening assays measuring estrogen receptor (ER) binding, dimerization, chromatin binding, transcriptional activation and ER-dependent cell proliferation. The network model uses activity patterns across the in vitro assays to predict whether a chemical is an ER agonist or antagonist, or is otherwise influencing the assays through a manner dependent on the physics and chemistry of the technology platform (“”assay interference”). The method is applied to a library of 1812 commercial and environmental chemicals, including 45 ER positive and negative reference chemicals. Among the reference chemicals, the network model correctly identified the agonists and antagonists with the exception of very weak compounds whose activity was outside the concentration range tested. The model agonist score also correlated with the expected potency class of the active reference chemicals. Of the 1812 chemicals evaluated, 52 (2.8%) were predicted to be strongly ER active in agonist or antagonist mode. This dataset and model were also used to begin a systematic investigation of assay interference. The most prominent cause of false-positive activity (activity in an assay that is likely not due to interaction of the chemical with ER) is cytotoxicity. The model provides the ability to prioritize a large set of important environmental chemicals with human exposure potential for additional in v

Linking water quality guidelines to the natural characteristics of catchments in order to support distinct aquatic ecosystems: Water quality guidelines for suspended particulate matter

NASA Astrophysics Data System (ADS)

Bilotta, G. S.; Grove, M. K.; Harrison, C.; Joyce, C. B.; Peacock, C.

2012-12-01

The natural characteristics of a catchment provide a template that controls the background rates of geomorphological processes operating within that catchment, which in-turn determines the background physico-chemical and hydro-morphological characteristics of the catchment's surface waters. Large differences in the natural characteristics of catchments (e.g. geology, topography, climate), lead to unique physico-chemical and hydro-morphological conditions that support unique freshwater communities. However, this uniqueness is not always recognised in international water quality guidelines, which often attempt to apply blanket water-quality guidelines to 'protect' a wide range of ecosystems. In this paper we investigate the natural characteristics that control background concentrations of suspended particulate matter (SPM - including nano-scale particles to sand-sized sediments), which is a well-known cause of ecological degradation. At present, the management of SPM is hampered by a lack of understanding of the SPM conditions that water quality managers should aim to achieve in contrasting environments in order to support good ecological status. To address this, in this paper we examine the SPM preferences of contrasting biological communities that are in reference condition (minimal anthropogenic disturbance and high ecological status). We analyse historical SPM data collected on a monthly basis from a wide range of reference-condition temperate environments (638 stream/river sites comprising 42 different biological community-types). This analysis reveals that there are statistically significant differences (One-way ANOVA p < 0.001) between the background SPM concentrations observed in contrasting communities that are in reference condition. Mean background SPM concentrations for contrasting communities ranged from 1.7 to 26.2 mg L-1 (i.e. more than a 15-fold difference). We propose a model for predicting environment-specific water quality guidelines for SPM. In order to develop this model, the 638 reference-condition sites were first classified into one of five mean background SPM ranges (0.00-5.99, 6.00-11.99, 12.00-17.99, 18.00-23.99 and >24.00 mg L-1). Stepwise Multiple Discriminant Analysis (MDA) of these ranges showed that a site's SPM range can be predicted as a function of: mean annual air temperature, mean annual precipitation, mean altitude of upstream catchment, distance from source, slope to source, channel width and depth, the percentage of catchment area comprised of clay, chalk, and hard rock solid geology, and the percentage of the catchment area comprised of blown sand/landslide material as the surface (drift) material. Although the model is still being improved and developed, this research highlights the need to link water quality guidelines to the natural characteristics of catchments and the physico-chemical preferences of the biological communities that would naturally inhabit them.

Physics in ``Polymers, Composites, and Sports Materials" an Interdisciplinary Course

NASA Astrophysics Data System (ADS)

Hagedorn, Eric; Suskavcevic, Milijana

2007-10-01

The undergraduate science course described uses the themes of polymers and composites, as used in sports materials, to teach some key concepts in introductory chemistry and physics. The course is geared towards students who are interested in science, but are still completing prerequisite mathematics courses required for science majors. Each class is built around a laboratory activity. Atoms, molecules and chemical reactions are taught in reference to making polyvinyl acetate (white glue) and polyvinyl alcohol (gel glue). These materials, combined with borax, form balls which are subsequently used in physics activities centered on free-fall and the coefficient of restitution. These activities allow the introduction of kinematics and dynamics. A free fall activity involving ice pellets, with and without embedded tissue paper, illustrates the properties of composites. The final series of activities uses balls, shoes, racquets and bats to further illustrate dynamics concepts (including friction, momentum and energy). The physical properties of these sports objects are discussed in terms of the materials of which they are made. The evaluation plan to determine the effectiveness of these activities and preliminary results are also presented.

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.

Trace determination of Hg together with As, Sb, Se by miniaturized optical emission spectrometry integrated with chemical vapor generation and capacitively coupled argon microwave miniplasma discharge

NASA Astrophysics Data System (ADS)

Matusiewicz, Henryk; Ślachciński, Mariusz

2017-07-01

A miniaturized optical emission spectrometer (OES) with capacitively coupled argon microwave microplasma (μCMP) as and excitation source and chemical vapor generation (CVG) for sample introduction was constructed for the determination of trace Hg, As, Sb and Se. The applied method enabled simultaneous determination of hydride-forming elements (As, Sb, Se) and volatile Hg. Mercury cold vapor and the hydride volatile species of As, Sb and Se were generated when standard or sample solutions were separated from the liquid phase for transport to the capacitively coupled microwave microplasma and detection of their atomic emission. A univariate approach and the simplex optimization procedure were used to achieve optimized conditions and derive analytical figures of merit. The experimental concentration detection limits (LODs) for simultaneous determination, calculated as the concentration giving a signal equal to three times of the standard deviation of the blank (LOD, 3σblank criterion, peak height) were 3.0, 1.4, 1.5 and 3.8 ng mL- 1 for Hg, As, Sb and Se, respectively. The method was validated by the analysis of three Certified Reference Materials (NIST 2711, NRCC DOLT-2, NIST 1643e) of different matrix composition and by the standard addition technique. The method offers relatively good precision (RSD ranged from 5% to 8%) for microsampling (200 μL) analysis. The measured of contents of elements in certified reference materials were in good agreement with the certified values (Hg 1.99-6.25 μg g- 1, As 16.6-105 μg g- 1, Sb 19.4-56.88 μg g- 1, Se 1.52-11.68 μg g- 1), according to the Student t-test, for a confidence level of 95%.

Accurate determination of sulfur in gasoline and related fuel samples using isotope dilution ICP-MS with direct sample injection and microwave-assisted digestion.

PubMed

Heilmann, Jens; Boulyga, Sergei F; Heumann, Klaus G

2004-09-01

Inductively coupled plasma isotope-dilution mass spectrometry (ICP-IDMS) with direct injection of isotope-diluted samples into the plasma, using a direct injection high-efficiency nebulizer (DIHEN), was applied for accurate sulfur determinations in sulfur-free premium gasoline, gas oil, diesel fuel, and heating oil. For direct injection a micro-emulsion consisting of the corresponding organic sample and an aqueous 34S-enriched spike solution with additions of tetrahydronaphthalene and Triton X-100, was prepared. The ICP-MS parameters were optimized with respect to high sulfur ion intensities, low mass-bias values, and high precision of 32S/34S ratio measurements. For validation of the DIHEN-ICP-IDMS method two certified gas oil reference materials (BCR 107 and BCR 672) were analyzed. For comparison a wet-chemical ICP-IDMS method was applied with microwave-assisted digestion using decomposition of samples in a closed quartz vessel inserted into a normal microwave system. The results from both ICP-IDMS methods agree well with the certified values of the reference materials and also with each other for analyses of other samples. However, the standard deviation of DIHEN-ICP-IDMS was about a factor of two higher (5-6% RSD at concentration levels above 100 mircog g(-1)) compared with those of wet-chemical ICP-IDMS, mainly due to inhomogeneities of the micro-emulsion, which causes additional plasma instabilities. Detection limits of 4 and 18 microg g(-1) were obtained for ICP-IDMS in connection with microwave-assisted digestion and DIHEN-ICP-IDMS, respectively, with a sulfur background of the used Milli-Q water as the main limiting factor for both methods.

Nicotine, acetanilide and urea multi-level2H-,13C- and15N-abundance reference materials for continuous-flow isotope ratio mass spectrometry

USGS Publications Warehouse

Schimmelmann, A.; Albertino, A.; Sauer, P.E.; Qi, H.; Molinie, R.; Mesnard, F.

2009-01-01

Accurate determinations of stable isotope ratios require a calibration using at least two reference materials with different isotopic compositions to anchor the isotopic scale and compensate for differences in machine slope. Ideally, the S values of these reference materials should bracket the isotopic range of samples with unknown S values. While the practice of analyzing two isotopically distinct reference materials is common for water (VSMOW-SLAP) and carbonates (NBS 19 and L-SVEC), the lack of widely available organic reference materials with distinct isotopic composition has hindered the practice when analyzing organic materials by elemental analysis/isotope ratio mass spectrometry (EA-IRMS). At present only L-glutamic acids USGS40 and USGS41 satisfy these requirements for ??13C and ??13N, with the limitation that L-glutamic acid is not suitable for analysis by gas chromatography (GC). We describe the development and quality testing of (i) four nicotine laboratory reference materials for on-line (i.e. continuous flow) hydrogen reductive gas chromatography-isotope ratio mass-spectrometry (GC-IRMS), (ii) five nicotines for oxidative C, N gas chromatography-combustion-isotope ratio mass-spectrometry (GC-C-IRMS, or GC-IRMS), and (iii) also three acetanilide and three urea reference materials for on-line oxidative EA-IRMS for C and N. Isotopic off-line calibration against international stable isotope measurement standards at Indiana University adhered to the 'principle of identical treatment'. The new reference materials cover the following isotopic ranges: ??2Hnicotine -162 to -45%o, ??13Cnicotine -30.05 to +7.72%, ?? 15Nnicotine -6.03 to +33.62%; ??15N acetanilide +1-18 to +40.57%; ??13Curea -34.13 to +11.71%, ??15Nurea +0.26 to +40.61% (recommended ?? values refer to calibration with NBS 19, L-SVEC, IAEA-N-1, and IAEA-N-2). Nicotines fill a gap as the first organic nitrogen stable isotope reference materials for GC-IRMS that are available with different ??13N values. Comparative ??13C and ??15N on-line EA-IRMS data from 14 volunteering laboratories document the usefulness and reliability of acetanilides and ureas as EA-IRMS reference materials.

Studies on Application of Aroma Finish on Silk Fabric

NASA Astrophysics Data System (ADS)

Hipparagi, Sanganna Aminappa; Srinivasa, Thirumalappa; Das, Brojeswari; Naik, Subhas Venkatappa; Purushotham, Serampur Parappa

2016-10-01

Aromatic treatments on textiles have gained importance in the recent years. In the present article work has been done on fragrance finish application on silk material. Silk is an expensive natural fibre used for apparel purpose and known for its feel and appeal. Incorporation of fragrance material in silk product, will add more value to it. Present work focuses to impart durable aroma finish for silk products to be home washed or subjected to dry cleaning. Microencapsulated aroma chemical has been used for the treatment. Impregnation method, Exhaust method, Dip-Pad-Dry method and Spray method have been used to see the influence of application method on the uptake and performance. Evaluation of the aroma treated material has been done through subjective evaluation as per Odor Intensity Reference Scaling (OIRS). Effect of the aroma finishing on the physical properties of the fabric has also been studied. No adverse effect has been observed on the stiffness of the fabric after the aroma treatment.

Synthesis Methods of Carbon Nanotubes and Related Materials

PubMed Central

Szabó, Andrea; Perri, Caterina; Csató, Anita; Giordano, Girolamo; Vuono, Danilo; Nagy, János B.

2010-01-01

The challenge on carbon nanotubes is still the subject of many research groups. While in the first years the focus was on the new synthesis methods, new carbon sources and support materials, recently, the application possibilities are the principal arguments of the studies. The three main synthesis methods discussed in this review are the arc discharge, the laser ablation and the chemical vapour deposition (CVD) with a special regard to the latter one. In the early stage of the nanotube production the first two methods were utilized mainly for the production of SWNTs while the third one produced mainly MWNTs. The principle of CVD is the decomposition of various hydrocarbons over transition metal supported catalyst. Single-walled (SWNT), multi-walled (MWNT) and coiled carbon nanotubes are produced. In some case, interesting carbonaceous materials are formed during the synthesis process, such as bamboo-like tubes, onions, horn-like structures. In this paper, we refer to the progresses made in the field of the synthesis techniques of carbon nanotubes in the last decade.

Wood-plastic composites as promising green-composites for automotive industries!

PubMed

Ashori, Alireza

2008-07-01

Wood-plastic composite (WPC) is a very promising and sustainable green material to achieve durability without using toxic chemicals. The term WPCs refers to any composites that contain plant fiber and thermosets or thermoplastics. In comparison to other fibrous materials, plant fibers are in general suitable to reinforce plastics due to relative high strength and stiffness, low cost, low density, low CO2 emission, biodegradability and annually renewable. Plant fibers as fillers and reinforcements for polymers are currently the fastest-growing type of polymer additives. Since automakers are aiming to make every part either recyclable or biodegradable, there still seems to be some scope for green-composites based on biodegradable polymers and plant fibers. From a technical point of view, these bio-based composites will enhance mechanical strength and acoustic performance, reduce material weight and fuel consumption, lower production cost, improve passenger safety and shatterproof performance under extreme temperature changes, and improve biodegradability for the auto interior parts.

Common Chemical Inductors of Replication Stress:  Focus on Cell-Based Studies.

PubMed

Vesela, Eva; Chroma, Katarina; Turi, Zsofia; Mistrik, Martin

2017-02-21

DNA replication is a highly demanding process regarding the energy and material supply and must be precisely regulated, involving multiple cellular feedbacks. The slowing down or stalling of DNA synthesis and/or replication forks is referred to as replication stress (RS). Owing to the complexity and requirements of replication, a plethora of factors may interfere and challenge the genome stability, cell survival or affect the whole organism. This review outlines chemical compounds that are known inducers of RS and commonly used in laboratory research. These compounds act on replication by direct interaction with DNA causing DNA crosslinks and bulky lesions (cisplatin), chemical interference with the metabolism of deoxyribonucleotide triphosphates (hydroxyurea), direct inhibition of the activity of replicative DNA polymerases (aphidicolin) and interference with enzymes dealing with topological DNA stress (camptothecin, etoposide). As a variety of mechanisms can induce RS, the responses of mammalian cells also vary. Here, we review the activity and mechanism of action of these compounds based on recent knowledge, accompanied by examples of induced phenotypes, cellular readouts and commonly used doses.

Common Chemical Inductors of Replication Stress: Focus on Cell-Based Studies

PubMed Central

Vesela, Eva; Chroma, Katarina; Turi, Zsofia; Mistrik, Martin

2017-01-01

DNA replication is a highly demanding process regarding the energy and material supply and must be precisely regulated, involving multiple cellular feedbacks. The slowing down or stalling of DNA synthesis and/or replication forks is referred to as replication stress (RS). Owing to the complexity and requirements of replication, a plethora of factors may interfere and challenge the genome stability, cell survival or affect the whole organism. This review outlines chemical compounds that are known inducers of RS and commonly used in laboratory research. These compounds act on replication by direct interaction with DNA causing DNA crosslinks and bulky lesions (cisplatin), chemical interference with the metabolism of deoxyribonucleotide triphosphates (hydroxyurea), direct inhibition of the activity of replicative DNA polymerases (aphidicolin) and interference with enzymes dealing with topological DNA stress (camptothecin, etoposide). As a variety of mechanisms can induce RS, the responses of mammalian cells also vary. Here, we review the activity and mechanism of action of these compounds based on recent knowledge, accompanied by examples of induced phenotypes, cellular readouts and commonly used doses. PMID:28230817

Visual gas sensors based on dye thin films and resonant waveguide gratings

NASA Astrophysics Data System (ADS)

Davoine, L.; Schnieper, M.; Barranco, A.; Aparicio, F. J.

2011-05-01

A colorimetric sensor that provides a direct visual indication of chemical contamination was developed. The detection is based on the color change of the reflected light after exposure to a gas or a liquid. The sensor is a combination of a chemically sensitive dye layer and a subwavelength grating structure. To enhance the perception of color change, a reference area sealed under a non-contaminated atmosphere is used and placed next to the sensor. The color change is clearly visible by human eyes. The device is based on photonic resonant effects; the visible color is a direct reflection of some incoming light, therefore no additional supplies are needed. This makes it usable as a standalone disposable sensor. The dye thin film is deposited by Plasma enhanced chemical vapor deposition (PECVD) on top of the subwavelength structure. The latter is made by combining a replication process of a Sol-Gel material and a thin film deposition. Lowcost fabrication and compatibility with environments where electricity cannot be used make this device very attractive for applications in hospitals, industries, with explosives and in traffic.

Field Characterization of Potential Reference Sediments in the Gulf of Mexico: Chemical and Biological Quality

EPA Science Inventory

Lewis, Michael A., Jed G. Campbell, Peggy S. Harris, Darrin D. Dantin, Steve S. Foss, Robert L. Quarles, James C. Moore and Cynthia A. Chancy. Submitted. Characterization of Potential Reference Areas in the Gulf of Mexico: Near-Coastal Sediment Chemical and Biological Quality. En...

Towards Cluster-Assembled Materials of True Monodispersity in Size and Chemical Environment: Synthesis, Dynamics and Activity

DTIC Science & Technology

2016-10-27

AFRL-AFOSR-UK-TR-2016-0037 Towards cluster-assembled materials of true monodispersity in size and chemical environment: Synthesis, Dynamics and...Towards cluster-assembled materials of true monodispersity in size and chemical environment: synthesis, dynamics and activity 5a.  CONTRACT NUMBER 5b...report Towards cluster-assembled materials of true monodispersity in size and chemical environment: Synthesis, Dynamics and Activity Ulrich Heiz

Dielectric characterization of high-performance spaceflight materials

NASA Astrophysics Data System (ADS)

Kleppe, Nathan Alan

As commercial space travel increases, the need for reliable structural health monitoring to predict possible weaknesses or failures of structural materials also increases. Monitoring of polymer-based materials may be achieved through the use of dielectric spectroscopy by comparing permittivity or conductivity measurements performed on a sample in use to that of a pristine sample. Changes in these measured values or of the relaxation frequencies, if present, can indicate chemical or physical changes occurring within the material and the possible need for maintenance/replacement. In this work, we established indicative trends that occur in the dielectric spectra during accelerated aging of various high-performance polymeric materials (EVOH, PEEK, PPS, and UHMWPE). Uses for these materials range from electrical insulation and protective coatings to windows and air- or space-craft parts that may be subject to environmental damage over long-term operation. Accelerated thermal aging and ultraviolet/water-spray cyclic aging were performed in order to investigate the degradation of the aforementioned material. The Havriliak-Negami model was used in the analysis of the measured dielectric spectra in order to obtain the characteristic fit parameters from which aging-related trends were identified. With reference to the literature and from measured FTIR spectra, observations were connected to the underlying mechanisms causing the dielectric relaxations.

Porous multi-component material for the capture and separation of species of interest

DOEpatents

Addleman, Raymond S.; Chouyyok, Wilaiwan; Li, Xiaohong S.; Cinson, Anthony D.; Gerasimenko, Aleksandr A

2016-06-21

A method and porous multi-component material for the capture, separation or chemical reaction of a species of interest is disclosed. The porous multi-component material includes a substrate and a composite thin film. The composite thin film is formed by combining a porous polymer with a nanostructured material. The nanostructured material may include a surface chemistry for the capture of chemicals or particles. The composite thin film is coupled to the support or device surface. The method and material provides a simple, fast, and chemically and physically benign way to integrate nanostructured materials into devices while preserving their chemical activity.

Development and Validation of a Computational Model for Androgen Receptor Activity

PubMed Central

2016-01-01

Testing thousands of chemicals to identify potential androgen receptor (AR) agonists or antagonists would cost millions of dollars and take decades to complete using current validated methods. High-throughput in vitro screening (HTS) and computational toxicology approaches can more rapidly and inexpensively identify potential androgen-active chemicals. We integrated 11 HTS ToxCast/Tox21 in vitro assays into a computational network model to distinguish true AR pathway activity from technology-specific assay interference. The in vitro HTS assays probed perturbations of the AR pathway at multiple points (receptor binding, coregulator recruitment, gene transcription, and protein production) and multiple cell types. Confirmatory in vitro antagonist assay data and cytotoxicity information were used as additional flags for potential nonspecific activity. Validating such alternative testing strategies requires high-quality reference data. We compiled 158 putative androgen-active and -inactive chemicals from a combination of international test method validation efforts and semiautomated systematic literature reviews. Detailed in vitro assay information and results were compiled into a single database using a standardized ontology. Reference chemical concentrations that activated or inhibited AR pathway activity were identified to establish a range of potencies with reproducible reference chemical results. Comparison with existing Tier 1 AR binding data from the U.S. EPA Endocrine Disruptor Screening Program revealed that the model identified binders at relevant test concentrations (<100 μM) and was more sensitive to antagonist activity. The AR pathway model based on the ToxCast/Tox21 assays had balanced accuracies of 95.2% for agonist (n = 29) and 97.5% for antagonist (n = 28) reference chemicals. Out of 1855 chemicals screened in the AR pathway model, 220 chemicals demonstrated AR agonist or antagonist activity and an additional 174 chemicals were predicted to have potential weak AR pathway activity. PMID:27933809

Developing a list of reference chemicals for testing alternatives to whole fish toxicity tests.

PubMed

Schirmer, Kristin; Tanneberger, Katrin; Kramer, Nynke I; Völker, Doris; Scholz, Stefan; Hafner, Christoph; Lee, Lucy E J; Bols, Niels C; Hermens, Joop L M

2008-11-11

This paper details the derivation of a list of 60 reference chemicals for the development of alternatives to animal testing in ecotoxicology with a particular focus on fish. The chemicals were selected as a prerequisite to gather mechanistic information on the performance of alternative testing systems, namely vertebrate cell lines and fish embryos, in comparison to the fish acute lethality test. To avoid the need for additional experiments with fish, the U.S. EPA fathead minnow database was consulted as reference for whole organism responses. This database was compared to the Halle Registry of Cytotoxicity and a collation of data by the German EPA (UBA) on acute toxicity data derived from zebrafish embryos. Chemicals that were present in the fathead minnow database and in at least one of the other two databases were subject to selection. Criteria included the coverage of a wide range of toxicity and physico-chemical parameters as well as the determination of outliers of the in vivo/in vitro correlations. While the reference list of chemicals now guides our research for improving cell line and fish embryo assays to make them widely applicable, the list could be of benefit to search for alternatives in ecotoxicology in general. One example would be the use of this list to validate structure-activity prediction models, which in turn would benefit from a continuous extension of this list with regard to physico-chemical and toxicological data.

Similarity analyses of chromatographic herbal fingerprints: a review.

PubMed

Goodarzi, Mohammad; Russell, Paul J; Vander Heyden, Yvan

2013-12-04

Herbal medicines are becoming again more popular in the developed countries because being "natural" and people thus often assume that they are inherently safe. Herbs have also been used worldwide for many centuries in the traditional medicines. The concern of their safety and efficacy has grown since increasing western interest. Herbal materials and their extracts are very complex, often including hundreds of compounds. A thorough understanding of their chemical composition is essential for conducting a safety risk assessment. However, herbal material can show considerable variability. The chemical constituents and their amounts in a herb can be different, due to growing conditions, such as climate and soil, the drying process, the harvest season, etc. Among the analytical methods, chromatographic fingerprinting has been recommended as a potential and reliable methodology for the identification and quality control of herbal medicines. Identification is needed to avoid fraud and adulteration. Currently, analyzing chromatographic herbal fingerprint data sets has become one of the most applied tools in quality assessment of herbal materials. Mostly, the entire chromatographic profiles are used to identify or to evaluate the quality of the herbs investigated. Occasionally only a limited number of compounds are considered. One approach to the safety risk assessment is to determine whether the herbal material is substantially equivalent to that which is either readily consumed in the diet, has a history of application or has earlier been commercialized i.e. to what is considered as reference material. In order to help determining substantial equivalence using fingerprint approaches, a quantitative measurement of similarity is required. In this paper, different (dis)similarity approaches, such as (dis)similarity metrics or exploratory analysis approaches applied on herbal medicinal fingerprints, are discussed and illustrated with several case studies. Copyright © 2013 Elsevier B.V. All rights reserved.

Uncertainty evaluation of mass values determined by electronic balances in analytical chemistry: a new method to correct for air buoyancy.

PubMed

Wunderli, S; Fortunato, G; Reichmuth, A; Richard, Ph

2003-06-01

A new method to correct for the largest systematic influence in mass determination-air buoyancy-is outlined. A full description of the most relevant influence parameters is given and the combined measurement uncertainty is evaluated according to the ISO-GUM approach [1]. A new correction method for air buoyancy using an artefact is presented. This method has the advantage that only a mass artefact is used to correct for air buoyancy. The classical approach demands the determination of the air density and therefore suitable equipment to measure at least the air temperature, the air pressure and the relative air humidity within the demanded uncertainties (i.e. three independent measurement tasks have to be performed simultaneously). The calculated uncertainty is lower for the classical method. However a field laboratory may not always be in possession of fully traceable measurement systems for these room climatic parameters.A comparison of three approaches applied to the calculation of the combined uncertainty of mass values is presented. Namely the classical determination of air buoyancy, the artefact method, and the neglecting of this systematic effect as proposed in the new EURACHEM/CITAC guide [2]. The artefact method is suitable for high-precision measurement in analytical chemistry and especially for the production of certified reference materials, reference values and analytical chemical reference materials. The method could also be used either for volume determination of solids or for air density measurement by an independent method.

Chemical processing of lunar materials

NASA Technical Reports Server (NTRS)

Criswell, D. R.; Waldron, R. D.

1979-01-01

The paper highlights recent work on the general problem of processing lunar materials. The discussion covers lunar source materials, refined products, motivations for using lunar materials, and general considerations for a lunar or space processing plant. Attention is given to chemical processing through various techniques, including electrolysis of molten silicates, carbothermic/silicothermic reduction, carbo-chlorination process, NaOH basic-leach process, and HF acid-leach process. Several options for chemical processing of lunar materials are well within the state of the art of applied chemistry and chemical engineering to begin development based on the extensive knowledge of lunar materials.

Material Cycles and Chemicals: Dynamic Material Flow Analysis of Contaminants in Paper Recycling.

PubMed

Pivnenko, Kostyantyn; Laner, David; Astrup, Thomas F

2016-11-15

This study provides a systematic approach for assessment of contaminants in materials for recycling. Paper recycling is used as an illustrative example. Three selected chemicals, bisphenol A (BPA), diethylhexyl phthalate (DEHP) and mineral oil hydrocarbons (MOHs), are evaluated within the paper cycle. The approach combines static material flow analysis (MFA) with dynamic material and substance flow modeling. The results indicate that phasing out of chemicals is the most effective measure for reducing chemical contamination. However, this scenario was also associated with a considerable lag phase (between approximately one and three decades) before the presence of chemicals in paper products could be considered insignificant. While improved decontamination may appear to be an effective way of minimizing chemicals in products, this may also result in lower production yields. Optimized waste material source-segregation and collection was the least effective strategy for reducing chemical contamination, if the overall recycling rates should be maintained at the current level (approximately 70% for Europe). The study provides a consistent approach for evaluating contaminant levels in material cycles. The results clearly indicate that mass-based recycling targets are not sufficient to ensure high quality material recycling.

Final report for SERDP WP-2209 Replacement melt-castable formulations for Composition B

DTIC Science & Technology

2017-05-19

Chemical reaction of the materials in the melt ............................................................... 5 Thermal degradation of materials...reasons other than the hazard of explosion, these include: • Chemical reaction of the materials in the melt • Thermal degradation at low...temperature • Sublimation and condensation of explosive material on equipment and exposure to workers Chemical reaction of the materials in the melt

Devices for the Production of Reference Gas Mixtures.

PubMed

Fijało, Cyprian; Dymerski, Tomasz; Gębicki, Jacek; Namieśnik, Jacek

2016-09-02

For many years there has been growing demand for gaseous reference materials, which is connected with development in many fields of science and technology. As a result, new methodological and instrumental solutions appear that can be used for this purpose. Appropriate quality assurance/quality control (QA/QC) must be used to make sure that measurement data are a reliable source of information. Reference materials are a significant element of such systems. In the case of gas samples, such materials are generally called reference gas mixtures. This article presents the application and classification of reference gas mixtures, which are a specific type of reference materials, and the methods for obtaining them are described. Construction solutions of devices for the production of reference gas mixtures are detailed, and a description of a prototype device for dynamic production of reference gas mixtures containing aroma compounds is presented.

Shock Waves and Defects in Energetic Materials, a Match Made in MD Heaven

NASA Astrophysics Data System (ADS)

Wood, Mitchell; Kittell, David; Yarrington, Cole; Thompson, Aidan

2017-06-01

Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. In this talk the shock response of Hexanitrostilbene (HNS) is studied through large scale reactive molecular dynamics (RMD) simulations. These RMD simulations provide a unique opportunity to elucidate mechanisms of viscoplastic pore collapse which are often neglected in larger scale hydrodynamic models. A discussion of the macroscopic effects of this viscoplastic material response, such as its role in hot spot formation and eventual initiation, will be provided. Through this work we have been able to map a transition from purely viscoplastic to fluid-like pore collapse that is a function of shock strength, pore size and material strength. In addition, these findings are important reference data for the validation of future multi-scale modeling efforts of the shock response of heterogeneous materials. Examples of how these RMD results are translated into mesoscale models will also be addressed. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US DOE NNSA under Contract No. DE- AC04-94AL85000.

Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; preparation procedure for aquatic biological material determined for trace metals

USGS Publications Warehouse

Hoffman, Gerald L.

1996-01-01

A method for the chemical preparation of tissue samples that are subsequently analyzed for 22 trace metals is described. The tissue-preparation procedure was tested with three National Institute of Standards and Technology biological standard reference materials and two National Water Quality Laboratory homogenized biological materials. A low-temperature (85 degrees Celsius) nitric acid digestion followed by the careful addition of hydrogen peroxide (30-percent solution) is used to decompose the biological material. The solutions are evaporated to incipient dryness, reconstituted with 5 percent nitric acid, and filtered. After filtration the solutions were diluted to a known volume and analyzed by inductively coupled plasma-mass spectrometry (ICP-MS), inductively coupled plasma-atomic emission spectrometry (ICP-AES), and cold vapor-atomic absorption spectrophotometry (CV-AAS). Many of the metals were determined by both ICP-MS and ICP-AES. This report does not provide a detailed description of the instrumental procedures and conditions used with the three types of instrumentation for the quantitation of trace metals determined in this study. Statistical data regarding recovery, accuracy, and precision for individual trace metals determined in the biological material tested are summarized.

Paint for detection of radiological or chemical agents

DOEpatents

Farmer, Joseph C [Tracy, CA; Brunk, James L [Martinez, CA; Day, Sumner Daniel [Danville, CA

2010-08-24

A paint that warns of radiological or chemical substances comprising a paint operatively connected to the surface, an indicator material carried by the paint that provides an indication of the radiological or chemical substances, and a thermo-activation material carried by the paint. In one embodiment, a method of warning of radiological or chemical substances comprising the steps of painting a surface with an indicator material, and monitoring the surface for indications of the radiological or chemical substances. In another embodiment, a paint is operatively connected to a vehicle and an indicator material is carried by the paint that provides an indication of the radiological or chemical substances.

CON4EI: Selection of the reference chemicals for hazard identification and labelling of eye irritating chemicals.

PubMed

Adriaens, E; Alépée, N; Kandarova, H; Drzewieckac, A; Gruszka, K; Guest, R; Willoughby, J A; Verstraelen, S; Van Rompay, A R

2017-10-01

Assessment of the acute eye irritation potential is part of the international regulatory requirements for testing of chemicals. In the past, several prospective and retrospective validation studies have taken place in the area of serious eye damage/eye irritation testing. Success in terms of complete replacement of the regulatory in vivo Draize rabbit eye test has not yet been achieved. A very important aspect to ensure development of successful alternative test methods and/or strategies for serious eye damage/eye irritation testing is the selection of appropriate reference chemicals. A set of 80 reference chemicals was selected for the CEFIC-LRI-AIMT6-VITO CON4EI (CONsortium for in vitro Eye Irritation testing strategy) project, in collaboration with Cosmetics Europe, from the Draize Reference Database published by Cosmetics Europe based on key criteria that were set in their paper (e.g. balanced by important driver of classification and physical state). The most important goals of the CON4EI project were to identify the performance of eight in vitro alternative tests in terms of driver of classification and to identify similarities/differences between the methods in order the build a successful testing strategy that can discriminate between all UN GHS categories. This paper provides background on selection of the test chemicals. Copyright © 2017 Elsevier Ltd. All rights reserved.

Reprint of "CON4EI: Selection of the reference chemicals for hazard identification and labelling of eye irritating chemicals".

PubMed

Adriaens, E; Alépée, N; Kandarova, H; Drzewieckac, A; Gruszka, K; Guest, R; Willoughby, J A; Verstraelen, S; Van Rompay, A R

2018-06-01

Assessment of the acute eye irritation potential is part of the international regulatory requirements for testing of chemicals. In the past, several prospective and retrospective validation studies have taken place in the area of serious eye damage/eye irritation testing. Success in terms of complete replacement of the regulatory in vivo Draize rabbit eye test has not yet been achieved. A very important aspect to ensure development of successful alternative test methods and/or strategies for serious eye damage/eye irritation testing is the selection of appropriate reference chemicals. A set of 80 reference chemicals was selected for the CEFIC-LRI-AIMT6-VITO CON4EI (CONsortium for in vitro Eye Irritation testing strategy) project, in collaboration with Cosmetics Europe, from the Draize Reference Database published by Cosmetics Europe based on key criteria that were set in their paper (e.g. balanced by important driver of classification and physical state). The most important goals of the CON4EI project were to identify the performance of eight in vitro alternative tests in terms of driver of classification and to identify similarities/differences between the methods in order the build a successful testing strategy that can discriminate between all UN GHS categories. This paper provides background on selection of the test chemicals. Copyright © 2018. Published by Elsevier Ltd.

A PERMEABLE ACTIVE AMENDMENT CONCRETE (PAAC) FOR CONTAMINANT REMEDIATION AND EROSION CONTROL

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

Knox, A.; Paller, M.; Dixon, K.

2012-06-29

The final project report for SEED SERDP ER - 2134 describes the development of permeable active amendment concrete (PAAC), which was evaluated through four tasks: 1) development of PAAC; 2) assessment of PAAC for contaminant removal; 3) evaluation of promising PAAC formulations for potential environmental impacts; and 4) assessment of the hydraulic, physical, and structural properties of PAAC. Conventional permeable concrete (often referred to as pervious concrete) is concrete with high porosity as a result of an extensive and interconnected void content. It is made from carefully controlled amounts of water and cementitious materials used to create a paste thatmore » forms a coating around aggregate particles. The mixture has a substantial void content (e.g., 15% - 25%) that results in a highly permeable structure that drains quickly. In PAAC, the aggregate material is partly replaced by chemically-active amendments that precipitate or adsorb contaminants in water that flows through the concrete interstices. PAAC combines the relatively high structural strength, ample void space, and water permeability of pervious concrete with the contaminant sequestration ability of chemically-active amendments to produce a new material with superior durability and ability to control contaminant mobility. The high surface area provided by the concrete interstices in PAAC provides significant opportunity for contaminants to react with the amendments incorporated into the concrete matrix. PAAC has the potential to immobilize a large variety of organic and inorganic contaminants by incorporating different active sequestering agents including phosphate materials (rock phosphate), organoclays, zeolite, and lime individually or in combinations.« less

Chemical transport during formation and alteration of Martian impact and volcanic deposits

NASA Technical Reports Server (NTRS)

Newsom, H. E.

1992-01-01

Much of the surface of Mars, including volcanic and cratered terrains, probably experienced alteration and degassing processes. These processes may have depleted or enriched many important elements in surface materials, including bedrock, dust, and soils. The composition of the martian soil may represent the best estimate, for some elements, of the average composition of the martian crust, similar to the composition of loess created by glacial action on the Earth. The martian soil may represent the only convenient, globally or regionally averaged sample of the martian crust. In order to understand the composition of the source material for the soil, however, we need to understand the contributions of volcanic vs. impact sources for this material and the chemical fractionations involved in its production. The processes to be addressed include degassing of volcanic deposits, as observed in the Valley of Ten Thousand Smokes at Katmai, Alaska, and degassing of meltbearing impact ejecta as inferred for suevite ejecta sheets at the Ries Crater, and alteration or palagonitization of volcanic deposits, as documented for volcanos in British Columbia and many other volcanic terrains, and impact crater deposits. The process of palagonitization has been the subject of several studies with reference to Mars, and palagonite is a good analogue for the spectroscopic properties of the martian dust. The role of impact in cratering has not been as well studied, although other researchers have established that both degassing and alteration are common features of impact crater deposits. Other relevant sources of experimental data include the extensive literature on the corrosion of nuclear waste glass and leaching of shocked materials.

Identifying known unknowns using the US EPA's CompTox ...

EPA Pesticide Factsheets

Chemical features observed using high-resolution mass spectrometry can be tentatively identified using online chemical reference databases by searching molecular formulae and monoisotopic masses and then rank-ordering of the hits using appropriate relevance criteria. The most likely candidate “known unknowns,” which are those chemicals unknown to an investigator but contained within a reference database or literature source, rise to the top of a chemical list when rank-ordered by the number of associated data sources. The U.S. EPA’s CompTox Chemistry Dashboard is a curated and freely available resource for chemistry and computational toxicology research, containing more than 720,000 chemicals of relevance to environmental health science. In this research, the performance of the Dashboard for identifying “known unknowns” was evaluated against that of the online ChemSpider database, one of the primary resources used by mass spectrometrists, using multiple previously studied datasets reported in the peer-reviewed literature totaling 162 chemicals. These chemicals were examined using both applications via molecular formula and monoisotopic mass searches followed by rank-ordering of candidate compounds by associated references or data sources. A greater percentage of chemicals ranked in the top position when using the Dashboard, indicating an advantage of this application over ChemSpider for identifying known unknowns using data source ranking. Addition

The interrelationship of microstructure and hardness of human coronal dentin using reference point indentation technique and micro-Raman spectroscopy.

PubMed

Seyedmahmoud, Rasoul; McGuire, Jacob D; Wang, Yong; Thiagarajan, Ganesh; Walker, Mary P

2017-10-01

The aim of this paper is to determine the interrelationship between the microstructure - in terms of chemical composition and crystallinity - to the microhardness of coronal dentin. Dentin microhardness was tested by a novel reference point indenter and compared to the traditional Knoop hardness method. Micro-Raman spectroscopy was used to determine the chemical composition and crystallinity of dentin. From the occlusal groove to the border of the coronal pulp chamber, dentin hardness decreased from superficial dentin (SD) to deep dentin (DD). Mineral/organic matrix ratios (phosphate/CH and phosphate/amide I) also decreased from SD to DD; however, this change was significant (P<0.05) in the phosphate/amide I ratio only. The phosphate/carbonate ratio decreased significantly by varying position from SD to DD. The degree of the crystallinity, as measured by the full width at half maximum (FWHM) of the peak at 960cm -1 , decreased significantly going from superficial to deep dentin. For the first time, the interrelationship between the microstructure and the mechanical properties of coronal dentin was determined by using the novel reference point indentation technique and micro-Raman spectroscopy. We hypothesize that the decrease in hardness from superficial to deep dentin can potentially be explained by decreased mineral content and increased carbonate content, which is also associated with decreased crystallinity. Collectively, there is a positive association between dentin hardness and mineral content and a negative association between dentin hardness and carbonate content. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

An optimized protocol for generation and analysis of Ion Proton sequencing reads for RNA-Seq.

PubMed

Yuan, Yongxian; Xu, Huaiqian; Leung, Ross Ka-Kit

2016-05-26

Previous studies compared running cost, time and other performance measures of popular sequencing platforms. However, comprehensive assessment of library construction and analysis protocols for Proton sequencing platform remains unexplored. Unlike Illumina sequencing platforms, Proton reads are heterogeneous in length and quality. When sequencing data from different platforms are combined, this can result in reads with various read length. Whether the performance of the commonly used software for handling such kind of data is satisfactory is unknown. By using universal human reference RNA as the initial material, RNaseIII and chemical fragmentation methods in library construction showed similar result in gene and junction discovery number and expression level estimated accuracy. In contrast, sequencing quality, read length and the choice of software affected mapping rate to a much larger extent. Unspliced aligner TMAP attained the highest mapping rate (97.27 % to genome, 86.46 % to transcriptome), though 47.83 % of mapped reads were clipped. Long reads could paradoxically reduce mapping in junctions. With reference annotation guide, the mapping rate of TopHat2 significantly increased from 75.79 to 92.09 %, especially for long (>150 bp) reads. Sailfish, a k-mer based gene expression quantifier attained highly consistent results with that of TaqMan array and highest sensitivity. We provided for the first time, the reference statistics of library preparation methods, gene detection and quantification and junction discovery for RNA-Seq by the Ion Proton platform. Chemical fragmentation performed equally well with the enzyme-based one. The optimal Ion Proton sequencing options and analysis software have been evaluated.

Synthesis and Surface-Specific Analysis of Molecular Constituents Relevant to Biogenic Secondary Organic Aerosol Material

NASA Astrophysics Data System (ADS)

Be, A. G.; Upshur, M. A.; Chase, H. M.; Geiger, F.; Thomson, R. J.

2017-12-01

Secondary organic aerosol (SOA) particles formed from the oxidation of biogenic volatile organic compounds (BVOCs) remain a principal, yet elusive, class of airborne particulate matter that impacts the Earth's radiation budget. Given the characteristic molecular complexity comprising biogenic SOA particles, chemical information selective to the gas-aerosol interface may be valuable in the investigation of such systems, as surface considerations likely dictate the phenomena driving particle evolution mechanisms and climate effects. In particular, cloud activation processes may be parameterized using the surface tension depression that coincides with partitioning of surface-active organic species to the gas-droplet interface. However, the extent to which surface chemical processes, such as cloud droplet condensation, are influenced by the chemical structure and reactivity of individual surface-active molecules in SOA particles is largely unknown. We seek to study terpene-derived organic species relevant to the surfaces of biogenic SOA particles via synthesis of putative oxidation products followed by analysis using surface-selective physicochemical measurements. Using dynamic surface tension measurements, considerable differences are observed in the surface tension depression of aqueous pendant droplets that contain synthetically prepared ozonolysis products derived from abundant terpene precursors. Furthermore, sum frequency generation spectroscopy is utilized for comparison of the surface vibrational spectral responses of synthesized reference compounds with those observed for laboratory aerosol toward probing the surface composition of SOA material. Such ongoing findings highlight the underlying importance of molecular structure and reactivity when considering the surface chemistry of biogenic terpene-derived atmospheric aerosols.

Thermodynamic analysis of chemical compatibility of several reinforcement materials with niobium aluminides

NASA Technical Reports Server (NTRS)

Misra, Ajay K.

1989-01-01

Chemical compatibility of several reinforcement materials with three niobium aluminides, Nb3Al, Nb2Al, and NbAl3, were examined from thermodynamic considerations. The reinforcement materials considered in this study include carbides, borides, nitrides, oxides, silicides, and Engel-Brewer compounds. Thermodynamics of the Nb-Al system were reviewed and activities of Nb and Al were derived at desired calculation temperatures. Criteria for chemical compatibility between the reinforcement material and Nb-Al compounds have been defined and several chemically compatible reinforcement materials have been identified.

Chemical Fingerprinting Program for RSRM Critical Materials

NASA Technical Reports Server (NTRS)

McClennen, William H.; Fife, Dennis J.; Killpack, Michael O.; Golde, Rick P.; Cash, Steve (Technical Monitor)

2002-01-01

This viewgraph presentation provides information on the chemical fingerprinting of RSRM (Reusable Sold Rocket Motor) components. A chemical fingerprint can be used to identify a material, to differentiate it from similar looking materials, or lead to its source. It can also identify unexpected changes to a vendor or supplier's material, and monitor aging.

Some possible reference materials for fire toxicity tests

NASA Technical Reports Server (NTRS)

Hilado, C. J.; Solis, A. N.

1977-01-01

Suitable reference materials need to be selected in order to standardize any test method. The evaluation of cotton, polyethylene, polyether sulfone, polycarbonate, polystyrene, and polyurethane flexible and rigid foams as possible reference materials for the University of San Francisco/NASA toxicity screening test method is discussed.

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

PubMed

Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

2014-01-21

The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

Standardization of Shodhita Naga with special reference to thermogravimetry and infra-red spectroscopy

PubMed Central

Rajput, Dhirajsingh S.; Patgiri, Biswajyoti; Shukla, Vinay J.

2014-01-01

Background: Standardization of Ayurvedic medicine is the need of hour to obtain desired quality of final product. Shodhana literally means purification, is the initial step to make drugs like metals, minerals and poisonous herbs suitable for further procedure. Shodhana of metals/minerals help to expose maximum surface area of drug for chemical reactions and also in impregnation of organic materials and their properties in the drug. Thermo-gravimetric analysis (TGA) facilitates in identifying the presence of organic matter and change in the melting point of metal whereas Fourier transform infra-red spectroscopy (FTIR) assists in identifying the presence of various functional groups. Aim: To standardize the process of Naga Shodhana and to study the change in chemical nature of Shodhita Naga in each media through TGA and FTIR. Material and Methods: Samanya and Vishesha Shodhana of Naga was carried out. Time taken for melting of Naga, physico-chemical changes in media used for Shodhana and weight changes after Shodhana were recorded. Samples of Naga were collected after Shodhana in each media for TGA and FTIR analysis. Results: Average loss occurred during Shodhana was 6.26%. Melting point of Ashuddha Naga was 327.46°C, and it was 328.42°C after Shodhana. Percentage purity of Naga (percentage of lead in Naga) decreased after Shodhana from 99.80% to 99.40%. FTIR analysis of Shodhita Naga in each sample showed stretching vibrations particularly between C-H and C-N bonds that are indicating the presence of various organic compounds. Conclusion: According to TGA and FTIR analysis, Shodhana process increases melting point of Naga and initiation of new physico-chemical properties which are indicated by detection of large number of functional groups and organo-metallic nature of Shodhita Naga. PMID:26664241

A facile way to control phase of tin selenide flakes by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Wang, Zhigang; Pang, Fei

2018-06-01

Although two-dimensional (2D) tin selenides are attracting intense attentions, studies on its phase transition are still relatively few. Here we report a facile way to control the phase growth of tin selenide flakes on mica and SiO2/Si by only adjusting nominal Sn:Se ratio, which refers to the amount of loaded SnO2 and Se precursors. High normal Sn:Se ratio induced SnSe flakes, conversely SnSe2 flakes formed. It could be used as a practical guide to selectively synthesize pure phase of single crystalline 2D layered chalcogenide materials similar to tin selenides.

ARTI refrigerant database

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

Calm, J.M.

1998-03-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to thermophysical properties, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air conditioning and refrigeration equipment. It also references documents addressing compatibility ofmore » refrigerants and lubricants with other materials.« less

Studies of proton irradiated H2O + CO2 and H2O + CO ices and analysis of synthesized molecules

NASA Technical Reports Server (NTRS)

Moore, M. H.; Khanna, R.; Donn, B.

1991-01-01

Infrared spectra of H2O + CO2 and H2O + CO ices before and after proton irradiation showed that a major reaction in both mixtures was the interconversion of CO2 yields CO. Radiation synthesized organic compounds such as carbonic acid were identified in the H2O + CO2 ice. Different chemical pathways dominate in the H2O + CO ice in which formaldehyde, methanol, ethanol, and methane were identified. Sublimed material was also analyzed using a mass spectrometer. Implications of these results are discussed in reference to comets.

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

McChesney, J.D.

The chemical substances utilized in consumer products, and for pharmaceutical and agricultural uses are generally referred to as specialty chemicals. These may be flavor or fragrance substances, intermediates for synthesis of drugs or agrochemicals or the drugs or agrochemicals themselves, insecticides or insect pheromones or antifeedants, plant growth regulators, etc. These are in contrast to chemicals which are utilized in large quantities for fuels or preparation of plastics, lubricants, etc., which are usually referred to as industrial chemicals. The specific utilization of specialty chemicals is associated with a specific important physiochemical or biological property. They may possess unique properties asmore » lubricants or waxes or have a very desirable biological activity such as a drug, agrochemical or perfume ingredient. These unique properties convey significant economic value to the specific specialty chemical. The economic commercial production of specialty chemicals commonly requires the isolation of a precursor or the specialty chemical itself from a natural source. The discovery, development and commercialization of specialty chemicals is presented and reviewed. The economic and sustainable production of specialty chemicals is discussed.« less

Quantification of chemical contaminants in the paper and board fractions of municipal solid waste.

PubMed

Pivnenko, K; Olsson, M E; Götze, R; Eriksson, E; Astrup, T F

2016-05-01

Chemicals are used in materials as additives in order to improve the performance of the material or the production process itself. The presence of these chemicals in recyclable waste materials may potentially affect the recyclability of the materials. The addition of chemicals may vary depending on the production technology or the potential end-use of the material. Paper has been previously shown to potentially contain a large variety of chemicals. Quantitative data on the presence of chemicals in paper are necessary for appropriate waste paper management, including the recycling and re-processing of paper. However, a lack of quantitative data on the presence of chemicals in paper is evident in the literature. The aim of the present work is to quantify the presence of selected chemicals in waste paper derived from households. Samples of paper and board were collected from Danish households, including both residual and source-segregated materials, which were disposed of (e.g., through incineration) and recycled, respectively. The concentration of selected chemicals was quantified for all of the samples. The quantified chemicals included mineral oil hydrocarbons, phthalates, phenols, polychlorinated biphenyls, and selected toxic metals (Cd, Co, Cr, Cu, Ni, and Pb). The results suggest large variations in the concentration of chemicals depending on the waste paper fraction analysed. Research on the fate of chemicals in waste recycling and potential problem mitigation measures should be focused on in further studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

Tribochemical investigation of microelectronic materials

NASA Astrophysics Data System (ADS)

Kulkarni, Milind Sudhakar

To achieve efficient planarization with reduced device dimensions in integrated circuits, a better understanding of the physics, chemistry, and the complex interplay involved in chemical mechanical planarization (CMP) is needed. The CMP process takes place at the interface of the pad and wafer in the presence of the fluid slurry medium. The hardness of Cu is significantly less than the slurry abrasive particles which are usually alumina or silica. It has been accepted that a surface layer can protect the Cu surface from scratching during CMP. Four competing mechanisms in materials removal have been reported: the chemical dissolution of Cu, the mechanical removal through slurry abrasives, the formation of thin layer of Cu oxide and the sweeping surface material by slurry flow. Despite the previous investigation of Cu removal, the electrochemical properties of Cu surface layer is yet to be understood. The motivation of this research was to understand the fundamental aspects of removal mechanisms in terms of electrochemical interactions, chemical dissolution, mechanical wear, and factors affecting planarization. Since one of the major requirements in CMP is to have a high surface finish, i.e., low surface roughness, optimization of the surface finish in reference to various parameters was emphasized. Three approaches were used in this research: in situ measurement of material removal, exploration of the electropotential activation and passivation at the copper surface and modeling of the synergistic electrochemical-mechanical interactions on the copper surface. In this research, copper polishing experiments were conducted using a table top tribometer. A potentiostat was coupled with this tribometer. This combination enabled the evaluation of important variables such as applied pressure, polishing speed, slurry chemistry, pH, materials, and applied DC potential. Experiments were designed to understand the combined and individual effect of electrochemical interactions as well as mechanical impact during polishing. Extensive surface characterization was performed with AFM, SEM, TEM and XPS. An innovative method for direct material removal measurement on the nanometer scale was developed and used. Experimental observations were compared with the theoretically calculated material removal rate values. The synergistic effect of all of the components of the process, which result in a better quality surface finish was quantitatively evaluated for the first time. Impressed potential during CMP proved to be a controlling parameter in the material removal mechanism. Using the experimental results, a model was developed, which provided a practical insight into the CMP process. The research is expected to help with electrochemical material removal in copper planarization with low-k dielectrics.

10 CFR 431.105 - Materials incorporated by reference.

Code of Federal Regulations, 2012 CFR

2012-01-01

... Storage Tanks Test Procedures § 431.105 Materials incorporated by reference. (a) The Department... Water Supply Boilers, and Unfired Hot Water Storage Tanks,” Docket No. EE-RM/TP-99-480, Forrestal... 10 Energy 3 2012-01-01 2012-01-01 false Materials incorporated by reference. 431.105 Section 431...

NBS/EPA (NATIONAL BUREAU OF STANDARDS/ENVIRONMENTAL PROTECTION AGENCY) CERTIFIED REFERENCE MATERIAL PERFORMANCE AUDIT PROGRAM: STATUS REPORT 1

EPA Science Inventory

A traceability procedure has been established which allows specialty gas producers to prepare gaseous pollutant Certified Reference Materials (CRMs). The accuracy, stability and homogeneity of the CRMs approach those of NBS Standard Reference Materials (SRMs). Part of this proced...

NBS/EPA (NATIONAL BUREAU OF STANDARDS/ENVIRONMENTAL PROTECTION AGENCY) CERTIFIED REFERENCE MATERIAL PERFORMANCE AUDIT PROGRAM: STATUS REPORT 2

EPA Science Inventory

A traceability procedure has been established which allows specialty gas producers to prepare gaseous pollutant Certified Reference Materials (CRM's). The accuracy, stability and homogeneity of the CRM's approach those of NBS Standard Reference Materials (SRM's). As of October 19...

Nicotine, acetanilide and urea multi-level 2H-, 13C- and 15N-abundance reference materials for continuous-flow isotope ratio mass spectrometry.

PubMed

Schimmelmann, Arndt; Albertino, Andrea; Sauer, Peter E; Qi, Haiping; Molinie, Roland; Mesnard, François

2009-11-01

Accurate determinations of stable isotope ratios require a calibration using at least two reference materials with different isotopic compositions to anchor the isotopic scale and compensate for differences in machine slope. Ideally, the delta values of these reference materials should bracket the isotopic range of samples with unknown delta values. While the practice of analyzing two isotopically distinct reference materials is common for water (VSMOW-SLAP) and carbonates (NBS 19 and L-SVEC), the lack of widely available organic reference materials with distinct isotopic composition has hindered the practice when analyzing organic materials by elemental analysis/isotope ratio mass spectrometry (EA-IRMS). At present only L-glutamic acids USGS40 and USGS41 satisfy these requirements for delta13C and delta15N, with the limitation that L-glutamic acid is not suitable for analysis by gas chromatography (GC). We describe the development and quality testing of (i) four nicotine laboratory reference materials for on-line (i.e. continuous flow) hydrogen reductive gas chromatography-isotope ratio mass-spectrometry (GC-IRMS), (ii) five nicotines for oxidative C, N gas chromatography-combustion-isotope ratio mass-spectrometry (GC-C-IRMS, or GC-IRMS), and (iii) also three acetanilide and three urea reference materials for on-line oxidative EA-IRMS for C and N. Isotopic off-line calibration against international stable isotope measurement standards at Indiana University adhered to the 'principle of identical treatment'. The new reference materials cover the following isotopic ranges: delta2H(nicotine) -162 to -45 per thousand, delta13C(nicotine) -30.05 to +7.72 per thousand, delta15N(nicotine) -6.03 to +33.62 per thousand; delta15N(acetanilide) +1.18 to +40.57 per thousand; delta13C(urea) -34.13 to +11.71 per thousand, delta15N(urea) +0.26 to +40.61 per thousand (recommended delta values refer to calibration with NBS 19, L-SVEC, IAEA-N-1, and IAEA-N-2). Nicotines fill a gap as the first organic nitrogen stable isotope reference materials for GC-IRMS that are available with different delta15N values. Comparative delta13C and delta15N on-line EA-IRMS data from 14 volunteering laboratories document the usefulness and reliability of acetanilides and ureas as EA-IRMS reference materials. Copyright 2009 John Wiley & Sons, Ltd.

Application of quantitative 1H NMR for the calibration of protoberberine alkaloid reference standards.

PubMed

Wu, Yan; He, Yi; He, Wenyi; Zhang, Yumei; Lu, Jing; Dai, Zhong; Ma, Shuangcheng; Lin, Ruichao

2014-03-01

Quantitative nuclear magnetic resonance spectroscopy (qNMR) has been developed into an important tool in the drug analysis, biomacromolecule detection, and metabolism study. Compared with mass balance method, qNMR method bears some advantages in the calibration of reference standard (RS): it determines the absolute amount of a sample; other chemical compound and its certified reference material (CRM) can be used as internal standard (IS) to obtain the purity of the sample. Protoberberine alkaloids have many biological activities and have been used as reference standards for the control of many herbal drugs. In present study, the qNMR methods were developed for the calibration of berberine hydrochloride, palmatine hydrochloride, tetrahydropalmatine, and phellodendrine hydrochloride with potassium hydrogen phthalate as IS. Method validation was carried out according to the guidelines for the method validation of Chinese Pharmacopoeia. The results of qNMR were compared with those of mass balance method and the differences between the results of two methods were acceptable based on the analysis of estimated measurement uncertainties. Therefore, qNMR is an effective and reliable analysis method for the calibration of RS and can be used as a good complementarity to the mass balance method. Copyright © 2013 Elsevier B.V. All rights reserved.

Method for warning of radiological and chemical agents using detection paints on a vehicle surface

DOEpatents

Farmer, Joseph C [Tracy, CA; Brunk, James L [Martinez, CA; Day, S Daniel [Danville, CA

2012-03-27

A paint that warns of radiological or chemical substances comprising a paint operatively connected to the surface, an indicator material carried by the paint that provides an indication of the radiological or chemical substances, and a thermo-activation material carried by the paint. In one embodiment, a method of warning of radiological or chemical substances comprising the steps of painting a surface with an indicator material, and monitoring the surface for indications of the radiological or chemical substances. In another embodiment, a paint is operatively connected to a vehicle and an indicator material is carried by the paint that provides an indication of the radiological or chemical substances.

Aerial vehicle with paint for detection of radiological and chemical warfare agents

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

Farmer, Joseph C.; Brunk, James L.; Day, S. Daniel

A paint that warns of radiological or chemical substances comprising a paint operatively connected to the surface, an indicator material carried by the paint that provides an indication of the radiological or chemical substances, and a thermo-activation material carried by the paint. In one embodiment, a method of warning of radiological or chemical substances comprising the steps of painting a surface with an indicator material, and monitoring the surface for indications of the radiological or chemical substances. In another embodiment, a paint is operatively connected to a vehicle and an indicator material is carried by the paint that provides anmore » indication of the radiological or chemical substances.« less

Baseline Assessment of 25-Hydroxyvitamin D Reference Material and Proficiency Testing/External Quality Assurance Material Commutability: A Vitamin D Standardization Program Study.

PubMed

Phinney, Karen W; Sempos, Christopher T; Tai, Susan S-C; Camara, Johanna E; Wise, Stephen A; Eckfeldt, John H; Hoofnagle, Andrew N; Carter, Graham D; Jones, Julia; Myers, Gary L; Durazo-Arvizu, Ramon; Miller, W Greg; Bachmann, Lorin M; Young, Ian S; Pettit, Juanita; Caldwell, Grahame; Liu, Andrew; Brooks, Stephen P J; Sarafin, Kurtis; Thamm, Michael; Mensink, Gert B M; Busch, Markus; Rabenberg, Martina; Cashman, Kevin D; Kiely, Mairead; Galvin, Karen; Zhang, Joy Y; Kinsella, Michael; Oh, Kyungwon; Lee, Sun-Wha; Jung, Chae L; Cox, Lorna; Goldberg, Gail; Guberg, Kate; Meadows, Sarah; Prentice, Ann; Tian, Lu; Brannon, Patsy M; Lucas, Robyn M; Crump, Peter M; Cavalier, Etienne; Merkel, Joyce; Betz, Joseph M

2017-09-01

The Vitamin D Standardization Program (VDSP) coordinated a study in 2012 to assess the commutability of reference materials and proficiency testing/external quality assurance materials for total 25-hydroxyvitamin D [25(OH)D] in human serum, the primary indicator of vitamin D status. A set of 50 single-donor serum samples as well as 17 reference and proficiency testing/external quality assessment materials were analyzed by participating laboratories that used either immunoassay or LC-MS methods for total 25(OH)D. The commutability test materials included National Institute of Standards and Technology Standard Reference Material 972a Vitamin D Metabolites in Human Serum as well as materials from the College of American Pathologists and the Vitamin D External Quality Assessment Scheme. Study protocols and data analysis procedures were in accordance with Clinical and Laboratory Standards Institute guidelines. The majority of the test materials were found to be commutable with the methods used in this commutability study. These results provide guidance for laboratories needing to choose appropriate reference materials and select proficiency or external quality assessment programs and will serve as a foundation for additional VDSP studies.

Evaluation of droplet digital PCR for characterizing plasmid reference material used for quantifying ammonia oxidizers and denitrifiers.

PubMed

Dong, Lianhua; Meng, Ying; Wang, Jing; Liu, Yingying

2014-02-01

DNA reference materials of certified value have a critical function in many analytical processes of DNA measurement. Quantification of amoA genes in ammonia oxidizing bacteria (AOB) and archaea (AOA), and of nirS and nosZ genes in the denitrifiers is very important for determining their distribution and abundance in the natural environment. A plasmid reference material containing nirS, nosZ, amoA-AOB, and amoA-AOA is developed to provide a DNA standard with copy number concentration for ensuring comparability and reliability of quantification of these genes. Droplet digital PCR (ddPCR) was evaluated for characterization of the plasmid reference material. The result revealed that restriction endonuclease digestion of plasmids can improve amplification efficiency and minimize the measurement bias of ddPCR. Compared with the conformation of the plasmid, the size of the DNA fragment containing the target sequence and the location of the restriction site relative to the target sequence are not significant factors affecting plasmid quantification by ddPCR. Liquid chromatography-isotope dilution mass spectrometry (LC-IDMS) was used to provide independent data for quantifying the plasmid reference material. The copy number concentration of the digested plasmid determined by ddPCR agreed well with that determined by LC-IDMS, improving both the accuracy and reliability of the plasmid reference material. The reference value, with its expanded uncertainty (k = 2), of the plasmid reference material was determined to be (5.19 ± 0.41) × 10(9) copies μL(-1) by averaging the results of two independent measurements. Consideration of the factors revealed in this study can improve the reliability and accuracy of ddPCR; thus, this method has the potential to accurately quantify DNA reference materials.

Compression selective solid-state chemistry

NASA Astrophysics Data System (ADS)

Hu, Anguang

Compression selective solid-state chemistry refers to mechanically induced selective reactions of solids under thermomechanical extreme conditions. Advanced quantum solid-state chemistry simulations, based on density functional theory with localized basis functions, were performed to provide a remarkable insight into bonding pathways of high-pressure chemical reactions in all agreement with experiments. These pathways clearly demonstrate reaction mechanisms in unprecedented structural details, showing not only the chemical identity of reactive intermediates but also how atoms move along the reaction coordinate associated with a specific vibrational mode, directed by induced chemical stress occurred during bond breaking and forming. It indicates that chemical bonds in solids can break and form precisely under compression as we wish. This can be realized through strongly coupling of mechanical work to an initiation vibrational mode when all other modes can be suppressed under compression, resulting in ultrafast reactions to take place isothermally in a few femtoseconds. Thermodynamically, such reactions correspond to an entropy minimum process on an isotherm where the compression can force thermal expansion coefficient equal to zero. Combining a significantly brief reaction process with specific mode selectivity, both statistical laws and quantum uncertainty principle can be bypassed to precisely break chemical bonds, establishing fundamental principles of compression selective solid-state chemistry. Naturally this leads to understand the ''alchemy'' to purify, grow, and perfect certain materials such as emerging novel disruptive energetics.

49 CFR 572.30 - Incorporated materials.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 7 2011-10-01 2011-10-01 false Incorporated materials. 572.30 Section 572.30....30 Incorporated materials. (a) The drawings and specifications referred to in this regulation that... Federal Register has approved the materials incorporated by reference. For materials subject to change...

49 CFR 572.30 - Incorporated materials.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 7 2010-10-01 2010-10-01 false Incorporated materials. 572.30 Section 572.30....30 Incorporated materials. (a) The drawings and specifications referred to in this regulation that... Federal Register has approved the materials incorporated by reference. For materials subject to change...

49 CFR 572.30 - Incorporated materials.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 7 2012-10-01 2012-10-01 false Incorporated materials. 572.30 Section 572.30....30 Incorporated materials. (a) The drawings and specifications referred to in this regulation that... Federal Register has approved the materials incorporated by reference. For materials subject to change...

49 CFR 572.30 - Incorporated materials.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 7 2013-10-01 2013-10-01 false Incorporated materials. 572.30 Section 572.30....30 Incorporated materials. (a) The drawings and specifications referred to in this regulation that... Federal Register has approved the materials incorporated by reference. For materials subject to change...

[Development and application of reference materials containing mixed degradation products of amoxicillin and ampicillin].

PubMed

Li, Wei; Zhang, Wei-Qing; Li, Xiang; Hu, Chang-Qin

2014-09-01

Reference materials containing mixed degradation products of amoxicillin and ampicillin were developed after optimization of preparation processes. The target impurities were obtained by controlled stress testing, and each major component was identified with HPLC-MS and compared with single traceable reference standard each. The developed reference materials were applied to system suitability test for verifying HPLC system performed in accordance with set forth in China Pharmacopeia and identification of major impurities in samples based on retention and spectra information, which have advantages over the methods put forth in foreign pharmacopoeias. The development and application of the reference materials offer an effective way for rapid identification of impurities in chromatograms, and provide references for analyzing source of impurities and evaluation of drug quality.

Microbe-surface interactions in biofouling and biocorrosion processes.

PubMed

Beech, Iwona B; Sunner, Jan A; Hiraoka, Kenzo

2005-09-01

The presence of microorganisms on material surfaces can have a profound effect on materials performance. Surface-associated microbial growth, i.e. a biofilm, is known to instigate biofouling. The presence of biofilms may promote interfacial physico-chemical reactions that are not favored under abiotic conditions. In the case of metallic materials, undesirable changes in material properties due to a biofilm (or a biofouling layer) are referred to as biocorrosion or microbially influenced corrosion (MIC). Biofouling and biocorrosion occur in aquatic and terrestrial habitats varying in nutrient content, temperature, pressure and pH. Interfacial chemistry in such systems reflects a wide variety of physiological activities carried out by diverse microbial populations thriving within biofilms. Biocorrosion can be viewed as a consequence of coupled biological and abiotic electron-transfer reactions, i.e. redox reactions of metals, enabled by microbial ecology. Microbially produced extracellular polymeric substances (EPS), which comprise different macromolecules, mediate initial cell adhesion to the material surface and constitute a biofilm matrix. Despite their unquestionable importance in biofilm development, the extent to which EPS contribute to biocorrosion is not well-understood. This review offers a current perspective on material/microbe interactions pertinent to biocorrosion and biofouling, with EPS as a focal point, while emphasizing the role atomic force spectroscopy and mass spectrometry techniques can play in elucidating such interactions.

The Promotion Strategy of Green Construction Materials: A Path Analysis Approach.

PubMed

Huang, Chung-Fah; Chen, Jung-Lu

2015-10-14

As one of the major materials used in construction, cement can be very resource-consuming and polluting to produce and use. Compared with traditional cement processing methods, dry-mix mortar is more environmentally friendly by reducing waste production or carbon emissions. Despite the continuous development and promotion of green construction materials, only a few of them are accepted or widely used in the market. In addition, the majority of existing research on green construction materials focuses more on their physical or chemical characteristics than on their promotion. Without effective promotion, their benefits cannot be fully appreciated and realized. Therefore, this study is conducted to explore the promotion of dry-mix mortars, one of the green materials. This study uses both qualitative and quantitative methods. First, through a case study, the potential of reducing carbon emission is verified. Then a path analysis is conducted to verify the validity and predictability of the samples based on the technology acceptance model (TAM) in this study. According to the findings of this research, to ensure better promotion results and wider application of dry-mix mortar, it is suggested that more systematic efforts be invested in promoting the usefulness and benefits of dry-mix mortar. The model developed in this study can provide helpful references for future research and promotion of other green materials.

A quantitative property-property relationship for the internal diffusion coefficients of organic compounds in solid materials.

PubMed

Huang, L; Fantke, P; Ernstoff, A; Jolliet, O

2017-11-01

Indoor releases of organic chemicals encapsulated in solid materials are major contributors to human exposures and are directly related to the internal diffusion coefficient in solid materials. Existing correlations to estimate the diffusion coefficient are only valid for a limited number of chemical-material combinations. This paper develops and evaluates a quantitative property-property relationship (QPPR) to predict diffusion coefficients for a wide range of organic chemicals and materials. We first compiled a training dataset of 1103 measured diffusion coefficients for 158 chemicals in 32 consolidated material types. Following a detailed analysis of the temperature influence, we developed a multiple linear regression model to predict diffusion coefficients as a function of chemical molecular weight (MW), temperature, and material type (adjusted R 2 of .93). The internal validations showed the model to be robust, stable and not a result of chance correlation. The external validation against two separate prediction datasets demonstrated the model has good predicting ability within its applicability domain (Rext2>.8), namely MW between 30 and 1178 g/mol and temperature between 4 and 180°C. By covering a much wider range of organic chemicals and materials, this QPPR facilitates high-throughput estimates of human exposures for chemicals encapsulated in solid materials. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Developing 226Ra and 227Ac age-dating techniques for nuclear forensics to gain insight from concordant and non-concordant radiochronometers

DOE PAGES

Kayzar, Theresa M.; Williams, Ross W.

2015-09-26

The model age or ‘date of purification’ of a nuclear material is an important nuclear forensic signature. In this study, chemical separation and MC-ICP-MS measurement techniques were developed for 226 Ra and 227Ac: grand-daughter nuclides in the 238U and 235U decay chains respectively. The 230Th- 234U, 226Ra- 238U, 231Pa- 235U, and 227Ac- 235U radiochronometers were used to calculate model ages for CRM-U100 standard reference material and two highly-enriched pieces of uranium metal from the International Technical Working Group Round Robin 3 Exercise. In conclusion, the results demonstrate the accuracy of the 226Ra- 238U and 227Ac- 235U chronometers and provide informationmore » about nuclide migration during uranium processing.« less

Silver Nanoparticles: Technological Advances, Societal Impacts, and Metrological Challenges

PubMed Central

Calderón-Jiménez, Bryan; Johnson, Monique E.; Montoro Bustos, Antonio R.; Murphy, Karen E.; Winchester, Michael R.; Vega Baudrit, José R.

2017-01-01

Silver nanoparticles (AgNPs) show different physical and chemical properties compared to their macroscale analogs. This is primarily due to their small size and, consequently, the exceptional surface area of these materials. Presently, advances in the synthesis, stabilization, and production of AgNPs have fostered a new generation of commercial products and intensified scientific investigation within the nanotechnology field. The use of AgNPs in commercial products is increasing and impacts on the environment and human health are largely unknown. This article discusses advances in AgNP production and presents an overview of the commercial, societal, and environmental impacts of this emerging nanoparticle (NP), and nanomaterials in general. Finally, we examine the challenges associated with AgNP characterization, discuss the importance of the development of NP reference materials (RMs) and explore their role as a metrological mechanism to improve the quality and comparability of NP measurements. PMID:28271059

Silver nanoparticles: technological advances, societal impacts, and metrological challenges

NASA Astrophysics Data System (ADS)

Calderón-Jiménez, Bryan; Johnson, Monique E.; Montoro Bustos, Antonio R.; Murphy, Karen E.; Winchester, Michael R.; Vega Baudrit, José R.

2017-02-01

Silver nanoparticles (AgNPs) show different physical and chemical properties compared to their macroscale analogs. This is primarily due to their small size and, consequently, the exceptional surface area of these materials. Presently, advances in the synthesis, stabilization, and production of AgNPs have fostered a new generation of commercial products and intensified scientific investigation within the nanotechnology field. The use of AgNPs in commercial products is increasing and impacts on the environment and human health are largely unknown. This article discusses advances in AgNP production and presents an overview of the commercial, societal, and environmental impacts of this emerging nanoparticle (NP), and nanomaterials in general. Finally, we examine the challenges associated with AgNP characterization, discuss the importance of the development of NP reference materials (RMs) and explore their role as a metrological mechanism to improve the quality and comparability of NP measurements.

Comparative study between structural and electrical properties of geopolymers applied to a green concrete

NASA Astrophysics Data System (ADS)

Montaño, A. M.; González, C. P.; Pérez, J.; Royero, C.; Sandoval, D.; Gutiérrez, J.

2013-11-01

This work shows a comparative analysis of geopolymers obtained by alkaline activation of two aluminosilicates: bentonite and metakaolin. With the goal of to replace some cement percentage, both aluminosilicates were added in several proportions (10, 20 and 30%) to concrete mixes. Portland Type I cement was used to prepare the reference concrete (without geopolymer). X-ray diffraction of geopolymers allowed to find new crystallographic phases that was not present in precursor's minerals. To evaluate mechanical properties of concrete prepared with geopolymers, test tubes with 7, 14, 28 and 90 days as setting time were used. Chemical resistance and Electrical impedance of concrete mixes were also measured. Results shows that cementitious material obtained from metakaolin exhibit the best compressive strength. On the other hand, those materials derived from bentonite, have a high electrical resistance so that, they protected reinforced concrete better that Portland does.

Evaluation of in-situ deformation experiments of TRIP steel

NASA Astrophysics Data System (ADS)

Procházka, J.; Kučerová, L.; Bystrianský, M.

2017-02-01

The paper reports on the behaviour of low alloyed TRIP (transformation induced plasticity) steel with Niobium during tensile test. The structures were analysed using in-situ tensile testing coupled with electron backscattering diffraction (EBSD) analysis carried out in scanning electron microscope (SEM). Steel specimens were of same chemical composition; however three different annealing temperatures, 800 °C, 850 °C and 950 °C, were applied to the material during the heat treatment. The treatment consisted of annealing for 20 minutes in the furnace; cooling in salt bath after the heating and holding at 425 °C for 20 minutes for all the samples. Untreated bar was used as reference material. Flat samples for deformation stage were cut out of the heat-treated bars. In situ documentation of microstructure and crystallography development were carried out during the deformation experiments. High deformation lead to significant degradation of EBSD signal.

Gold nanoparticle decorated multi-walled carbon nanotubes as counter electrode for dye sensitized solar cells.

PubMed

Kaniyoor, Adarsh; Ramaprabhu, Sundara

2012-11-01

A novel counter electrode material for dye sensitized solar cells (DSSCs) composed of nanostructured Au particles decorated on functionalized multi-walled carbon nanotubes (f-MWNTs) is demonstrated for the first time. MWNTs synthesized by catalytic chemical vapor deposition technique are purified and functionalized by treating with concentrated acids. Au nanoparticles are decorated on f-MWNTs by a rapid and facile microwave assisted polyol reduction method. The materials are characterized by X-ray diffractometry, Fourier transform infra red spectroscopy and electron microscopy. The DSSC fabricated with Au/f-MWNTs based counter electrode shows enhanced power conversion efficiency (eta) of 4.9% under AM 1.5G simulated solar radiation. In comparison, the reference DSSCs fabricated with f-MWNTs and Pt counter electrodes show eta of 2.1% and 4.5%. This high performance of Au/f-MWNTs counter electrode is investigated using electrochemical impedance spectroscopy and cyclic voltammetry studies.

Development of deep eutectic solvents applied in extraction and separation.

PubMed

Li, Xiaoxia; Row, Kyung Ho

2016-09-01

Deep eutectic solvents, as an alternative to ionic liquids, have greener credentials than ionic liquids, and have attracted considerable attention in related chemical research. Deep eutectic solvents have attracted increasing attention in chemistry for the extraction and separation of various target compounds from natural products. This review highlights the preparation of deep eutectic solvents, unique properties of deep eutectic solvents, and synthesis of deep-eutectic-solvent-based materials. On the other hand, application in the extraction and separation of deep eutectic solvents is also included in this report. In this paper, the available data and references in this field are reviewed to summarize the applications and developments of deep eutectic solvents. Based on the development of deep eutectic solvents, an exploitation of new deep eutectic solvents and deep eutectic solvents-based materials is expected to diversify into extraction and separation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Developing 226Ra and 227Ac age-dating techniques for nuclear forensics to gain insight from concordant and non-concordant radiochronometers

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

Kayzar, Theresa M.; Williams, Ross W.

The model age or ‘date of purification’ of a nuclear material is an important nuclear forensic signature. In this study, chemical separation and MC-ICP-MS measurement techniques were developed for 226 Ra and 227Ac: grand-daughter nuclides in the 238U and 235U decay chains respectively. The 230Th- 234U, 226Ra- 238U, 231Pa- 235U, and 227Ac- 235U radiochronometers were used to calculate model ages for CRM-U100 standard reference material and two highly-enriched pieces of uranium metal from the International Technical Working Group Round Robin 3 Exercise. In conclusion, the results demonstrate the accuracy of the 226Ra- 238U and 227Ac- 235U chronometers and provide informationmore » about nuclide migration during uranium processing.« less

Silver Nanoparticles: Technological Advances, Societal Impacts, and Metrological Challenges.

PubMed

Calderón-Jiménez, Bryan; Johnson, Monique E; Montoro Bustos, Antonio R; Murphy, Karen E; Winchester, Michael R; Vega Baudrit, José R

2017-01-01

Silver nanoparticles (AgNPs) show different physical and chemical properties compared to their macroscale analogs. This is primarily due to their small size and, consequently, the exceptional surface area of these materials. Presently, advances in the synthesis, stabilization, and production of AgNPs have fostered a new generation of commercial products and intensified scientific investigation within the nanotechnology field. The use of AgNPs in commercial products is increasing and impacts on the environment and human health are largely unknown. This article discusses advances in AgNP production and presents an overview of the commercial, societal, and environmental impacts of this emerging nanoparticle (NP), and nanomaterials in general. Finally, we examine the challenges associated with AgNP characterization, discuss the importance of the development of NP reference materials (RMs) and explore their role as a metrological mechanism to improve the quality and comparability of NP measurements.

Activated carbon fibers and engineered forms from renewable resources

DOEpatents

Baker, Frederick S

2013-02-19

A method of producing activated carbon fibers (ACFs) includes the steps of providing a natural carbonaceous precursor fiber material, blending the carbonaceous precursor material with a chemical activation agent to form chemical agent-impregnated precursor fibers, spinning the chemical agent-impregnated precursor material into fibers, and thermally treating the chemical agent-impregnated precursor fibers. The carbonaceous precursor material is both carbonized and activated to form ACFs in a single step. The method produces ACFs exclusive of a step to isolate an intermediate carbon fiber.

Activated carbon fibers and engineered forms from renewable resources

DOEpatents

Baker, Frederick S.

2010-06-01

A method of producing activated carbon fibers (ACFs) includes the steps of providing a natural carbonaceous precursor fiber material, blending the carbonaceous precursor material with a chemical activation agent to form chemical agent-impregnated precursor fibers, spinning the chemical agent-impregnated precursor material into fibers, and thermally treating the chemical agent-impregnated precursor fibers. The carbonaceous precursor material is both carbonized and activated to form ACFs in a single step. The method produces ACFs exclusive of a step to isolate an intermediate carbon fiber.

Chemical pneumonitis

MedlinePlus

... problems. DO NOT siphon gas, kerosene, or other toxic liquid chemicals. Alternative Names Aspiration pneumonia - chemical Images Lungs Respiratory system References Blanc PD. Acute responses to toxic exposures. In: Broaddus VC, Mason RJ, Ernst JD, ...

Certified reference materials and reference methods for nuclear safeguards and security.

PubMed

Jakopič, R; Sturm, M; Kraiem, M; Richter, S; Aregbe, Y

2013-11-01

Confidence in comparability and reliability of measurement results in nuclear material and environmental sample analysis are established via certified reference materials (CRMs), reference measurements, and inter-laboratory comparisons (ILCs). Increased needs for quality control tools in proliferation resistance, environmental sample analysis, development of measurement capabilities over the years and progress in modern analytical techniques are the main reasons for the development of new reference materials and reference methods for nuclear safeguards and security. The Institute for Reference Materials and Measurements (IRMM) prepares and certifices large quantities of the so-called "large-sized dried" (LSD) spikes for accurate measurement of the uranium and plutonium content in dissolved nuclear fuel solutions by isotope dilution mass spectrometry (IDMS) and also develops particle reference materials applied for the detection of nuclear signatures in environmental samples. IRMM is currently replacing some of its exhausted stocks of CRMs with new ones whose specifications are up-to-date and tailored for the demands of modern analytical techniques. Some of the existing materials will be re-measured to improve the uncertainties associated with their certified values, and to enable laboratories to reduce their combined measurement uncertainty. Safeguards involve the quantitative verification by independent measurements so that no nuclear material is diverted from its intended peaceful use. Safeguards authorities pay particular attention to plutonium and the uranium isotope (235)U, indicating the so-called 'enrichment', in nuclear material and in environmental samples. In addition to the verification of the major ratios, n((235)U)/n((238)U) and n((240)Pu)/n((239)Pu), the minor ratios of the less abundant uranium and plutonium isotopes contain valuable information about the origin and the 'history' of material used for commercial or possibly clandestine purposes, and have therefore reached high level of attention for safeguards authorities. Furthermore, IRMM initiated and coordinated the development of a Modified Total Evaporation (MTE) technique for accurate abundance ratio measurements of the "minor" isotope-amount ratios of uranium and plutonium in nuclear material and, in combination with a multi-dynamic measurement technique and filament carburization, in environmental samples. Currently IRMM is engaged in a study on the development of plutonium reference materials for "age dating", i.e. determination of the time elapsed since the last separation of plutonium from its daughter nuclides. The decay of a radioactive parent isotope and the build-up of a corresponding amount of daughter nuclide serve as chronometer to calculate the age of a nuclear material. There are no such certified reference materials available yet. Copyright © 2013 Elsevier Ltd. All rights reserved.

Micro-Raman analysis of glisterings in intraocular lenses

NASA Astrophysics Data System (ADS)

Rusciano, G.; Martinez, A.; Pesce, G.; Zito, G.; Sasso, A.

2017-06-01

The phenomenon of inclusions or microvacuoles in intraocular lenses (IOL), often referred to glistenings due to their appearance when visualized in slit-lamp exams, is main cause of decreased visual in people after IOL implantation. For this reason, there is a huge request by the market of new polymers able to reduce, or even eliminate, the formation of such microvacuoles. In such frame, the use of advanced optical techniques, able to provide a deeper insight on the glistering formation, is strongly required. In particular, Raman spectroscopy (RS) is ideally suited for the analysis of polymers, due to its well-know sensitivity to highly polarizable chemical groups, commonly found in the polymer chains backbones. Moreover, the combination of RS with optical microscopy (Raman micro-spectroscopy) paves the way for real, information-rich chemical mapping of polymeric materials (Raman imaging). In this paper, we analyze the formation of microvacuoles in IOLs following a thermal treatment. In particular, we performed a chemical mapping of a single microvacuole, which allowed us to infer on its effective chemical composition. In order to investigate on the reversibility of glistenings formation, this analysis was repeated as function of time after thermal treatment, in different IOL environments. It turns out that this phenomenon is partially reversible, with an almost complete disappearance of microvacuoles in a dry environment.

History of reference materials for food and nutrition metrology: As represented in the series of BERM Symposia

USDA-ARS?s Scientific Manuscript database

Establishment of a metrology-based measurement system requires the solid foundation of traceability of measurements to available, appropriate certified reference materials (CRM). In the early 1970s the first “biological” Reference Material (RM) of Bowens Kale, Orchard Leaves, and Bovine Liver from ...

40 CFR 89.6 - Reference materials.

Code of Federal Regulations, 2010 CFR

2010-07-01

... set forth the material that has been incorporated by reference in this part. (1) ASTM material. The... 19428-2959. Document number and name 40 CFR part 89 reference ASTM D86-97: “Standard Test Method for Distillation of Petroleum Products at Atmospheric Pressure” Appendix A to Subpart D. ASTM D93-97: “Standard...

National Nutrition Education Clearing House Reference List, Secondary Teaching Materials and Teacher References.

ERIC Educational Resources Information Center

National Nutrition Education Clearing House, Berkeley, CA.

A reference list of teaching materials and teacher guides in the field of nutrition is compiled in this pamphlet. Primary emphasis is on resources for secondary grades. The section on teaching materials includes books, pamphlets, leaflets, posters, charts, transparencies, ditto masters, kits, games, films, filmstrips, records, TV videotapes, and…

Chemical-specific screening criteria for interpretation of biomonitoring data for volatile organic compounds (VOCs)--application of steady-state PBPK model solutions.

PubMed

Aylward, Lesa L; Kirman, Chris R; Blount, Ben C; Hays, Sean M

2010-10-01

The National Health and Nutrition Examination Survey (NHANES) generates population-representative biomonitoring data for many chemicals including volatile organic compounds (VOCs) in blood. However, no health or risk-based screening values are available to evaluate these data from a health safety perspective or to use in prioritizing among chemicals for possible risk management actions. We gathered existing risk assessment-based chronic exposure reference values such as reference doses (RfDs), reference concentrations (RfCs), tolerable daily intakes (TDIs), cancer slope factors, etc. and key pharmacokinetic model parameters for 47 VOCs. Using steady-state solutions to a generic physiologically-based pharmacokinetic (PBPK) model structure, we estimated chemical-specific steady-state venous blood concentrations across chemicals associated with unit oral and inhalation exposure rates and with chronic exposure at the identified exposure reference values. The geometric means of the slopes relating modeled steady-state blood concentrations to steady-state exposure to a unit oral dose or unit inhalation concentration among 38 compounds with available pharmacokinetic parameters were 12.0 microg/L per mg/kg-d (geometric standard deviation [GSD] of 3.2) and 3.2 microg/L per mg/m(3) (GSD=1.7), respectively. Chemical-specific blood concentration screening values based on non-cancer reference values for both oral and inhalation exposure range from 0.0005 to 100 microg/L; blood concentrations associated with cancer risk-specific doses at the 1E-05 risk level ranged from 5E-06 to 6E-02 microg/L. The distribution of modeled steady-state blood concentrations associated with unit exposure levels across VOCs may provide a basis for estimating blood concentration screening values for VOCs that lack chemical-specific pharmacokinetic data. The screening blood concentrations presented here provide a tool for risk assessment-based evaluation of population biomonitoring data for VOCs and are most appropriately applied to central tendency estimates for such datasets. Copyright (c) 2010 Elsevier Inc. All rights reserved.

Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model.

PubMed

Browne, Patience; Judson, Richard S; Casey, Warren M; Kleinstreuer, Nicole C; Thomas, Russell S

2015-07-21

The U.S. Environmental Protection Agency (EPA) is considering high-throughput and computational methods to evaluate the endocrine bioactivity of environmental chemicals. Here we describe a multistep, performance-based validation of new methods and demonstrate that these new tools are sufficiently robust to be used in the Endocrine Disruptor Screening Program (EDSP). Results from 18 estrogen receptor (ER) ToxCast high-throughput screening assays were integrated into a computational model that can discriminate bioactivity from assay-specific interference and cytotoxicity. Model scores range from 0 (no activity) to 1 (bioactivity of 17β-estradiol). ToxCast ER model performance was evaluated for reference chemicals, as well as results of EDSP Tier 1 screening assays in current practice. The ToxCast ER model accuracy was 86% to 93% when compared to reference chemicals and predicted results of EDSP Tier 1 guideline and other uterotrophic studies with 84% to 100% accuracy. The performance of high-throughput assays and ToxCast ER model predictions demonstrates that these methods correctly identify active and inactive reference chemicals, provide a measure of relative ER bioactivity, and rapidly identify chemicals with potential endocrine bioactivities for additional screening and testing. EPA is accepting ToxCast ER model data for 1812 chemicals as alternatives for EDSP Tier 1 ER binding, ER transactivation, and uterotrophic assays.

Development of advanced thermoelectric materials, phase A

NASA Technical Reports Server (NTRS)

1980-01-01

Work performed on the chemical system characterized by chrome sulfide, chrome selenide, lanthanum selenide, and lanthanum sulfide is described. Most materials within the chemical systems possess the requisites for attractive thermoelectric materials. The preparation of the alloys is discussed. Graphs show the Seebeck coefficient, electrical resistivity, and thermal conductivity of various materials within the chemical systems. The results of selected doping are included.

The bactericidal activity of glutaraldehyde-impregnated polyurethane.

PubMed

Sehmi, Sandeep K; Allan, Elaine; MacRobert, Alexander J; Parkin, Ivan

2016-10-01

Although glutaraldehyde is known to be bactericidal in solution, its potential use to create novel antibacterial polymers suitable for use in healthcare environments has not been evaluated. Here, novel materials were prepared in which glutaraldehyde was either incorporated into polyurethane using a simple "swell-encapsulation-shrink" method (hereafter referred to as "glutaraldehyde-impregnated polyurethane"), or simply applied to the polymer surface (hereafter referred to as "glutaraldehyde-coated polyurethane"). The antibacterial activity of glutaraldehyde-impregnated and glutaraldehyde-coated polyurethane samples was tested against Escherichia coli and Staphylococcus aureus. Glutaraldehyde-impregnated polyurethane resulted in a 99.9% reduction in the numbers of E. coli within 2 h and a similar reduction of S. aureus within 1 h, whereas only a minimal reduction in bacterial numbers was observed when the biocide was bound to the polymer surface. After 15 days, however, the bactericidal activity of the impregnated material was substantially reduced presumably due to polymerization of glutaraldehyde. Thus, although glutaraldehyde retains antibacterial activity when impregnated into polyurethane, activity is not maintained for extended periods of time. Future work should examine the potential of chemical modification of glutaraldehyde and/or polyurethane to improve the useful lifespan of this novel antibacterial polymer. © 2016 The Authors. MicrobiologyOpen published by John Wiley & Sons Ltd.

Application of Chemistry in Materials Research at NASA GRC

NASA Technical Reports Server (NTRS)

Kavandi, Janet L.

2016-01-01

Overview of NASA GRC Materials Development. New materials enabled by new chemistries offering unique properties and chemical processing techniques. Durability of materials in harsh environments requires understanding and modeling of chemical interaction of materials with the environment.

Preparation of an in-house reference material containing fumonisins in Thai rice and matrix extension of the analytical method for Japanese rice.

PubMed

Awaludin, Norhafniza; Nagata, Reiko; Kawasaki, Tomomi; Kushiro, Masayo

2009-12-01

Mycotoxin contamination in rice is less reported, compared to that in wheat or maize, however, some Fusarium fungi occasionally infect rice in the paddy field. Fumonisins are mycotoxins mainly produced by Fusarium verticillioides, which often ruins maize. Rice adherent fungus Gibberella fujikuroi is taxonomically near to F. verticillioides, and there are sporadic reports of fumonisin contamination in rice from Asia, Europe and the United States. Therefore, there exists the potential risk of fumonisin contamination in rice as well as the need for the validated analytical method for fumonisins in rice. Although both natural and spiked reference materials are available for some Fusarium mycotoxins in matrices of wheat and maize, there are no reference materials for Fusarium mycotoxins in rice. In this study, we have developed a method for the preparation of a reference material containing fumonisins in Thai rice. A ShakeMaster grinding machine was used for the preparation of a mixed material of blank Thai rice and F. verticillioides-infected Thai rice. The homogeneity of the mixed material was confirmed by one-way analysis of variance, which led this material to serve as an in-house reference material. Using this reference material, several procedures to extract fumonisins from Thai rice were compared. Accordingly, we proved the applicability of an effective extraction procedure for the determination of fumonisins in Japanese rice.

Preparation of an In-House Reference Material Containing Fumonisins in Thai Rice and Matrix Extension of the Analytical Method for Japanese Rice

PubMed Central

Awaludin, Norhafniza; Nagata, Reiko; Kawasaki, Tomomi; Kushiro, Masayo

2009-01-01

Mycotoxin contamination in rice is less reported, compared to that in wheat or maize, however, some Fusarium fungi occasionally infect rice in the paddy field. Fumonisins are mycotoxins mainly produced by Fusarium verticillioides, which often ruins maize. Rice adherent fungus Gibberella fujikuroi is taxonomically near to F. verticillioides, and there are sporadic reports of fumonisin contamination in rice from Asia, Europe and the United States. Therefore, there exists the potential risk of fumonisin contamination in rice as well as the need for the validated analytical method for fumonisins in rice. Although both natural and spiked reference materials are available for some Fusarium mycotoxins in matrices of wheat and maize, there are no reference materials for Fusarium mycotoxins in rice. In this study, we have developed a method for the preparation of a reference material containing fumonisins in Thai rice. A ShakeMaster grinding machine was used for the preparation of a mixed material of blank Thai rice and F. verticillioides-infected Thai rice. The homogeneity of the mixed material was confirmed by one-way analysis of variance, which led this material to serve as an in-house reference material. Using this reference material, several procedures to extract fumonisins from Thai rice were compared. Accordingly, we proved the applicability of an effective extraction procedure for the determination of fumonisins in Japanese rice. PMID:22069540

Device for collecting chemical compounds and related methods

DOEpatents

Scott, Jill R.; Groenewold, Gary S.; Rae, Catherine

2013-01-01

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from the fixed surfaces so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

Devices for collecting chemical compounds

DOEpatents

Scott, Jill R; Groenewold, Gary S

2013-12-24

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

The Numerical Simulation of Coupling Behavior of Soil with Chemical Pollutant Effects

NASA Astrophysics Data System (ADS)

Liu, Z. J.; Li, X. K.; Tang, L. Q.

2010-05-01

The coupling behavior of clay plays a role in the integrity of clay barriers used in landfills. The clay barriers are subjected to mechanical and thermal effects coupled with hydraulic behavior, also, if the leachates become in contact with the clay liner, chemical effects may lead to some drastic changes in the properties of the clay. A numerical method to simulate the coupling behavior of soil with chemical pollutant effects is presented. Within the framework of Gens-Alonso model describing the constitutive behavior of unsaturated clay presented in reference[1], basing on the work of Wu[2] and Hueckel[3], a constitutive model describing the chemo-thermo-hydro-mechanical(CTHM) coupling behavior of clays in contact with a single organic contaminant is presented. The thermical softening and chemical softening is considered in the presented model. The strain arising in the material due to chemical and thermical effects can be decomposed into two parts: elastic expansion and plastic compaction. The chemical effects are described in terms of the mass concentration of the contaminant. The increases in temperature and contaminant concentration cause decreases of the pre-consolidation pressure and the cohesion. The mechanisms are called thermical softening and chemical softening. The presented coupled CTHM constitutive model has been integrated into the coupled thermo-hydro-mechanical mathematical model including contaminant transport in porous media. To solve the equilibrium equations, the grogram of finite element methods is developed with a stagger algorithm. The mechanisms taking place due to the coupling behaviour of the clay with a single contaminant solute are analysed with the presented numerical method.

49 CFR 193.2013 - Incorporation by reference.

Code of Federal Regulations, 2010 CFR

2010-10-01

... MATERIALS SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) PIPELINE SAFETY LIQUEFIED NATURAL... incorporated materials are available for inspection in the Pipeline and Hazardous Materials Safety... referenced material 49 CFR Reference A. American Gas Association (AGA): (1) “Purging Principles and Practices...

Method for verification of constituents of a process stream just as they go through an inlet of a reaction vessel

DOEpatents

Baylor, Lewis C.; Buchanan, Bruce R.; O'Rourke, Patrick E.

1995-01-01

A method for validating a process stream for the presence or absence of a substance of interest such as a chemical warfare agent; that is, for verifying that a chemical warfare agent is present in an input line for feeding the agent into a reaction vessel for destruction, or, in a facility for producing commercial chemical products, that a constituent of the chemical warfare agent has not been substituted for the proper chemical compound. The method includes the steps of transmitting light through a sensor positioned in the feed line just before the chemical constituent in the input line enters the reaction vessel, measuring an optical spectrum of the chemical constituent from the light beam transmitted through it, and comparing the measured spectrum to a reference spectrum of the chemical agent and preferably also reference spectra of surrogates. A signal is given if the chemical agent is not entering a reaction vessel for destruction, or if a constituent of a chemical agent is added to a feed line in substitution of the proper chemical compound.

Method for verification of constituents of a process stream

DOEpatents

Baylor, L.C.; Buchanan, B.R.; O`Rourke, P.E.

1993-01-01

This invention is comprised of a method for validating a process stream for the presence or absence of a substance of interest such as a chemical warfare agent; that is, for verifying that a chemical warfare agent is present in an input line for feeding the agent into a reaction vessel for destruction, or, in a facility for producing commercial chemical products, that a constituent of the chemical warfare agent has not been substituted for the proper chemical compound. The method includes the steps of transmitting light through a sensor positioned in the feed line just before the chemical constituent in the input line enters the reaction vessel, measuring an optical spectrum of the chemical constituent from the light beam transmitted through it, and comparing the measured spectrum to a reference spectrum of the chemical agent and preferable also reference spectra of surrogates. A signal is given if the chemical agent is not entering a reaction vessel for destruction, or if a constituent of a chemical agent is added to a feed line in substitution of the proper chemical compound.

A new thorium-229 reference material

DOE PAGES

Essex, Richard M.; Mann, Jaqueline L.; Williams, Ross W.; ...

2017-07-27

A new reference material was characterized for 229Th molality and thorium isotope amount ratios. This reference material is intended for use in nuclear forensic analyses as an isotope dilution mass spectrometry spike. The reference material value and expanded uncertainty (k = 2) for the 229Th molality is (1.1498 ± 0.0016)×10 -10 mol g -1 solution. The value and expanded uncertainty (k = 2) for the n( 230Th)/n( 229Th) ratio is (5.18 ± 0.26)×10 -5 and the n( 232Th)/n( 229Th) ratio is (3.815 ± 0.092)×10 -4.

A new thorium-229 reference material

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

Essex, Richard M.; Mann, Jaqueline L.; Williams, Ross W.

A new reference material was characterized for 229Th molality and thorium isotope amount ratios. This reference material is intended for use in nuclear forensic analyses as an isotope dilution mass spectrometry spike. The reference material value and expanded uncertainty (k = 2) for the 229Th molality is (1.1498 ± 0.0016)×10 -10 mol g -1 solution. The value and expanded uncertainty (k = 2) for the n( 230Th)/n( 229Th) ratio is (5.18 ± 0.26)×10 -5 and the n( 232Th)/n( 229Th) ratio is (3.815 ± 0.092)×10 -4.

Permeation of gasoline, diesel, bioethanol (E85), and biodiesel (B20) fuels through six glove materials.

PubMed

Chin, Jo-Yu; Batterman, Stuart A

2010-07-01

Biofuels and conventional fuels differ in terms of their evaporation rates, permeation rates, and exhaust emissions, which can alter exposures of workers, especially those in the fuel refining and distribution industries. This study investigated the permeation of biofuels (bioethanol 85%, biodiesel 20%) and conventional petroleum fuels (gasoline and diesel) through gloves used in occupational settings (neoprene, nitrile, and Viton) and laboratories (latex, nitrile, and vinyl), as well as a standard reference material (neoprene sheet). Permeation rates and breakthrough times were measured using the American Society for Testing and Materials F739-99 protocol, and fuel and permeant compositions were measured by gas chromatography/mass spectrometry. In addition, we estimated exposures for three occupational scenarios and recommend chemical protective clothing suitable for use with motor fuels. Permeation rates and breakthrough times depended on the fuel-glove combination. Gasoline had the highest permeation rate among the four fuels. Bioethanol (85%) had breakthrough times that were two to three times longer than gasoline through neoprene, nitrile Sol-Vex, and the standard reference materials. Breakthrough times for biodiesel (20%) were slightly shorter than for diesel for the latex, vinyl, nitrile examination, and the standard neoprene materials. The composition of permeants differed from neat fuels, e.g., permeants were significantly enriched in the lighter aromatics including benzene. Viton was the best choice among the tested materials for the four fuels tested. Among the scenarios, fuel truck drivers had the highest uptake via inhalation based on the personal measurements available in the literature, and gasoline station attendants had highest uptake via dermal exposure if gloves were not worn. Appropriate selection and use of gloves can protect workers from dermal exposures; however, current recommendations from the National Institute for Occupational Safety and Health should be revised to account for contemporary fuel formulations that routinely contain ethanol.

15 CFR 200.104 - Standard reference materials.

Code of Federal Regulations, 2014 CFR

2014-01-01

... the NIST National Measurement Laboratory administers a program to provide many types of well... be readily referred to a common base. NIST SP 260 is a catalog of Standard Reference Materials available from NIST. ...

15 CFR 200.104 - Standard reference materials.

Code of Federal Regulations, 2013 CFR

2013-01-01

... the NIST National Measurement Laboratory administers a program to provide many types of well... be readily referred to a common base. NIST SP 260 is a catalog of Standard Reference Materials available from NIST. ...

15 CFR 200.104 - Standard reference materials.

Code of Federal Regulations, 2011 CFR

2011-01-01

... the NIST National Measurement Laboratory administers a program to provide many types of well... be readily referred to a common base. NIST SP 260 is a catalog of Standard Reference Materials available from NIST. ...

15 CFR 200.104 - Standard reference materials.

Code of Federal Regulations, 2010 CFR

2010-01-01

... the NIST National Measurement Laboratory administers a program to provide many types of well... be readily referred to a common base. NIST SP 260 is a catalog of Standard Reference Materials available from NIST. ...

15 CFR 200.104 - Standard reference materials.

Code of Federal Regulations, 2012 CFR

2012-01-01

... the NIST National Measurement Laboratory administers a program to provide many types of well... be readily referred to a common base. NIST SP 260 is a catalog of Standard Reference Materials available from NIST. ...

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").

Survey of selective solar absorbers and their limitations

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

Mattox, D.M.; Sowell, R.R.

1980-01-01

A number of selective absorber coating systems with high solar absorptance exist which may be used in the mid-temperature range. Some of the systems are more chemically and thermally stable than others. Unfortunately, there are large gaps in the stability data for a large number of the systems. In an inert environment, the principle degradation mechanisms are interdiffusion between the layers or phases and changes in surface morphology. These degradation mechanisms would be minimized by using refractory metals and compounds for the absorbing layer and using refractory materials or diffusion barriers for the underlayer. For use in a reactive environment,more » the choice of materials is much more restrictive since internal chemical reactions can change phase compositions and interfacial reactions can lead to loss of adhesion. For a coating process to be useful, it is necessary to determine what parameters influence the performance of the coating and the limits to these parameters. This process sensitivity has a direct influence on the production process controls necessary to produce a good product. Experience with electroplated black chrome has been rather disappointing. Electroplating should be a low cost deposition process but the extensive bath analysis and optical monitoring necessary to produce a thermally stable produce for use to 320/sup 0/C has increased cost signficantly. 49 references.« less

Health effects of atmospheric particulates: a medical geology perspective.

PubMed

Duzgoren-Aydin, Nurdan S

2008-01-01

In this review, atmospheric particulates as composite airborne earth materials often containing both natural and anthropogenic components were examined in the context of medical geology. Despite a vast number of both experimental and epidemiological studies confirming the direct and indirect links between atmospheric particulates and human health, the exact nature of mechanisms affecting the particulate-induced pathogenesis largely remains unexplored. Future in depth research on these areas would be most successful if potential mechanisms are examined with reference to the physical (e.g., size, shape and surface), chemical, mineralogical and source characteristics of particulate matters. The underlying goal of this review was to present the relevant terminology and processes proposed in the literature to explain the interfaces and interactions between atmospheric particles and human body within the framework of "atmospheric particle cycles." The complexities of the interactions were demonstrated through case studies focusing on particulate matter air pollution and malignant mesothelioma occurrences due to environmental exposure to erionite-a fibrous zeolite mineral. There is an urgent need for a standard protocol or speciation methods applicable to earth-materials to guide and streamline studies on etiology of mineral-induced diseases. This protocol or speciation methods should provide relevant procedures to determine the level and extent of physical, chemical and mineralogical heterogeneity of particulate matters as well as quantitative in-situ particulate characteristics.

Characterization of honeycomb-like "β-Ni(OH) 2" thin films synthesized by chemical bath deposition method and their supercapacitor application

NASA Astrophysics Data System (ADS)

Patil, U. M.; Gurav, K. V.; Fulari, V. J.; Lokhande, C. D.; Joo, Oh Shim

Nanostructured nickel hydroxide thin films are synthesized via a simple chemical bath deposition (CBD) method using nickel nitrate Ni(NO 3) 2 as the starting material. The deposition process is based on the thermal decomposition of ammonia-complexed nickel ions at 333 K. The structural, surface morphological, optical, electrical and electrochemical properties of the films are examined. The nanocrystalline "β" phase of Ni(OH) 2 is confirmed by the X-ray diffraction analysis. Scanning electron microscopy reveals a macroporous and interconnected honeycomb-like morphology. Optical absorption studies show that "β-Ni(OH) 2" has a wide optical band-gap of 3.95 eV. The negative temperature coefficient of the electrical resistance of "β-Ni(OH) 2", is attributed to the semiconducting nature of the material. The electrochemical properties of "β-Ni(OH) 2" in KOH electrolyte are examined by cyclic voltammetric (CV) measurements. The scan-rate dependent voltammograms demonstrate pseudocapacitive behaviour when "β-Ni(OH) 2" is employed as a working electrode in a three-electrode electrochemical cell containing 2 M KOH electrolyte with a platinum counter electrode and a saturated calomel reference electrodes. A specific capacitance of ∼398 × 10 3 F kg -1 is obtained.

Requirements for the Development of Bacillus Anthracis Spore Reference Materials Used to Test Detection Systems

PubMed Central

Almeida, Jamie L.; Wang, Lili; Morrow, Jayne B.; Cole, Kenneth D.

2006-01-01

Bacillus anthracis spores have been used as biological weapons and the possibility of their further use requires surveillance systems that can accurately and reliably detect their presence in the environment. These systems must collect samples from a variety of matrices, process the samples, and detect the spores. The processing of the sample may include removal of inhibitors, concentration of the target, and extraction of the target in a form suitable for detection. Suitable reference materials will allow the testing of each of these steps to determine the sensitivity and specificity of the detection systems. The development of uniform and well-characterized reference materials will allow the comparison of different devices and technologies as well as assure the continued performance of detection systems. This paper discusses the special requirements of reference materials for Bacillus anthracis spores that could be used for testing detection systems. The detection of Bacillus anthracis spores is based on recognition of specific characteristics (markers) on either the spore surface or in the nucleic acids (DNA). We have reviewed the specific markers and their relevance to characterization of reference materials. We have also included the approach for the characterization of candidate reference materials that we are developing at the NIST laboratories. Additional applications of spore reference materials would include testing sporicidal treatments, techniques for sampling the environment, and remediation of spore-contaminated environments. PMID:27274929

Reference Materials: Significance, General Requirements, and Demand.

PubMed

Kiełbasa, Anna; Gadzała-Kopciuch, Renata; Buszewski, Bogusław

2016-05-03

Reference materials play an important part in the quality control of measurements. Rapid development of such new scientific disciplines as proteomics, metabolomics, and genomics also necessitates development of new reference materials. This is a great challenge due to the complexity of the production of new reference materials and difficulties associated with achieving their homogeneity and stability. CRMs of tissue are of particular importance. They can be counted among the matrices that are most complex and time consuming in preparation. Tissue is the place of transformation and accumulation of many substances (e.g., metabolites, which are intermediate or end products resulting from metabolic processes). Trace amounts of many substances in tissues must be determined with adequate precision and accuracy. To meet the needs stemming from research and from problems and challenges faced by chemists, analysts, and toxicologists, the number of certified reference materials should be continuously increased.

A universal strategy for the creation of machine learning-based atomistic force fields

NASA Astrophysics Data System (ADS)

Huan, Tran Doan; Batra, Rohit; Chapman, James; Krishnan, Sridevi; Chen, Lihua; Ramprasad, Rampi

2017-09-01

Emerging machine learning (ML)-based approaches provide powerful and novel tools to study a variety of physical and chemical problems. In this contribution, we outline a universal strategy to create ML-based atomistic force fields, which can be used to perform high-fidelity molecular dynamics simulations. This scheme involves (1) preparing a big reference dataset of atomic environments and forces with sufficiently low noise, e.g., using density functional theory or higher-level methods, (2) utilizing a generalizable class of structural fingerprints for representing atomic environments, (3) optimally selecting diverse and non-redundant training datasets from the reference data, and (4) proposing various learning approaches to predict atomic forces directly (and rapidly) from atomic configurations. From the atomistic forces, accurate potential energies can then be obtained by appropriate integration along a reaction coordinate or along a molecular dynamics trajectory. Based on this strategy, we have created model ML force fields for six elemental bulk solids, including Al, Cu, Ti, W, Si, and C, and show that all of them can reach chemical accuracy. The proposed procedure is general and universal, in that it can potentially be used to generate ML force fields for any material using the same unified workflow with little human intervention. Moreover, the force fields can be systematically improved by adding new training data progressively to represent atomic environments not encountered previously.

Sensitivity of Chemical Shift-Encoded Fat Quantification to Calibration of Fat MR Spectrum

PubMed Central

Wang, Xiaoke; Hernando, Diego; Reeder, Scott B.

2015-01-01

Purpose To evaluate the impact of different fat spectral models on proton density fat-fraction (PDFF) quantification using chemical shift-encoded (CSE) MRI. Material and Methods Simulations and in vivo imaging were performed. In a simulation study, spectral models of fat were compared pairwise. Comparison of magnitude fitting and mixed fitting was performed over a range of echo times and fat fractions. In vivo acquisitions from 41 patients were reconstructed using 7 published spectral models of fat. T2-corrected STEAM-MRS was used as reference. Results Simulations demonstrate that imperfectly calibrated spectral models of fat result in biases that depend on echo times and fat fraction. Mixed fitting is more robust against this bias than magnitude fitting. Multi-peak spectral models showed much smaller differences among themselves than when compared to the single-peak spectral model. In vivo studies show all multi-peak models agree better (for mixed fitting, slope ranged from 0.967–1.045 using linear regression) with reference standard than the single-peak model (for mixed fitting, slope=0.76). Conclusion It is essential to use a multi-peak fat model for accurate quantification of fat with CSE-MRI. Further, fat quantification techniques using multi-peak fat models are comparable and no specific choice of spectral model is shown to be superior to the rest. PMID:25845713

Students' Understandings of Chemical Bonds and the Energetics of Chemical Reactions.

ERIC Educational Resources Information Center

Boo, Hong Kwen

1998-01-01

Investigates Grade 12 students' understandings of the nature of chemical bonds and the energetics elicited across five familiar chemical reactions following a course of instruction. Discusses the many ways in which students can misconstruct concepts and principles. Contains 63 references. (DDR)

High-precision isotopic characterization of USGS reference materials by TIMS and MC-ICP-MS

NASA Astrophysics Data System (ADS)

Weis, Dominique; Kieffer, Bruno; Maerschalk, Claude; Barling, Jane; de Jong, Jeroen; Williams, Gwen A.; Hanano, Diane; Pretorius, Wilma; Mattielli, Nadine; Scoates, James S.; Goolaerts, Arnaud; Friedman, Richard M.; Mahoney, J. Brian

2006-08-01

The Pacific Centre for Isotopic and Geochemical Research (PCIGR) at the University of British Columbia has undertaken a systematic analysis of the isotopic (Sr, Nd, and Pb) compositions and concentrations of a broad compositional range of U.S. Geological Survey (USGS) reference materials, including basalt (BCR-1, 2; BHVO-1, 2), andesite (AGV-1, 2), rhyolite (RGM-1, 2), syenite (STM-1, 2), granodiorite (GSP-2), and granite (G-2, 3). USGS rock reference materials are geochemically well characterized, but there is neither a systematic methodology nor a database for radiogenic isotopic compositions, even for the widely used BCR-1. This investigation represents the first comprehensive, systematic analysis of the isotopic composition and concentration of USGS reference materials and provides an important database for the isotopic community. In addition, the range of equipment at the PCIGR, including a Nu Instruments Plasma MC-ICP-MS, a Thermo Finnigan Triton TIMS, and a Thermo Finnigan Element2 HR-ICP-MS, permits an assessment and comparison of the precision and accuracy of isotopic analyses determined by both the TIMS and MC-ICP-MS methods (e.g., Nd isotopic compositions). For each of the reference materials, 5 to 10 complete replicate analyses provide coherent isotopic results, all with external precision below 30 ppm (2 SD) for Sr and Nd isotopic compositions (27 and 24 ppm for TIMS and MC-ICP-MS, respectively). Our results also show that the first- and second-generation USGS reference materials have homogeneous Sr and Nd isotopic compositions. Nd isotopic compositions by MC-ICP-MS and TIMS agree to within 15 ppm for all reference materials. Interlaboratory MC-ICP-MS comparisons show excellent agreement for Pb isotopic compositions; however, the reproducibility is not as good as for Sr and Nd. A careful, sequential leaching experiment of three first- and second-generation reference materials (BCR, BHVO, AGV) indicates that the heterogeneity in Pb isotopic compositions, and concentrations, could be directly related to contamination by the steel (mortar/pestle) used to process the materials. Contamination also accounts for the high concentrations of certain other trace elements (e.g., Li, Mo, Cd, Sn, Sb, W) in various USGS reference materials.

Inorganic chemical analysis of environmental materials—A lecture series

USGS Publications Warehouse

Crock, J.G.; Lamothe, P.J.

2011-01-01

At the request of the faculty of the Colorado School of Mines, Golden, Colorado, the authors prepared and presented a lecture series to the students of a graduate level advanced instrumental analysis class. The slides and text presented in this report are a compilation and condensation of this series of lectures. The purpose of this report is to present the slides and notes and to emphasize the thought processes that should be used by a scientist submitting samples for analyses in order to procure analytical data to answer a research question. First and foremost, the analytical data generated can be no better than the samples submitted. The questions to be answered must first be well defined and the appropriate samples collected from the population that will answer the question. The proper methods of analysis, including proper sample preparation and digestion techniques, must then be applied. Care must be taken to achieve the required limits of detection of the critical analytes to yield detectable analyte concentration (above "action" levels) for the majority of the study's samples and to address what portion of those analytes answer the research question-total or partial concentrations. To guarantee a robust analytical result that answers the research question(s), a well-defined quality assurance and quality control (QA/QC) plan must be employed. This QA/QC plan must include the collection and analysis of field and laboratory blanks, sample duplicates, and matrix-matched standard reference materials (SRMs). The proper SRMs may include in-house materials and/or a selection of widely available commercial materials. A discussion of the preparation and applicability of in-house reference materials is also presented. Only when all these analytical issues are sufficiently addressed can the research questions be answered with known certainty.

Extraneous carbon assessment in ultra-microscale radiocarbon analysis using benzene polycarboxylic acids (BPCA)

NASA Astrophysics Data System (ADS)

Hanke, Ulrich M.; McIntyre, Cameron P.; Schmidt, Michael W. I.; Wacker, Lukas; Eglinton, Timothy I.

2016-04-01

Measurements of the natural abundance of radiocarbon (14C) concentrations in inorganic and organic carbon-containing materials can be used to investigate their date of origin. Particularly, the biogeochemical cycling of specific compounds in the environment may be investigated applying molecular marker analyses. However, the isolation of specific molecules from environmental matrices requires a complex processing procedure resulting in small sample sizes that often contain less than 30 μg C. Such small samples are sensitive to extraneous carbon (Cex) that is introduced during the purification of the compounds (Shah and Pearson, 2007). We present a thorough radiocarbon blank assessment for benzene polycarboxylic acids (BPCA), a proxy for combustion products that are formed during the oxidative degradation of condensed polyaromatic structures (Wiedemeier et al, in press). The extraneous carbon assessment includes reference material for (1) chemical extraction, (2) preparative liquid chromatography (3) wet chemical oxidation which are subsequently measured with gas ion source AMS (Accelerator Mass Spectrometer, 5-100 μg C). We always use pairs of reference materials, radiocarbon depleted (14Cfossil) and modern (14Cmodern) to determine the fraction modern (F14C) of Cex.Our results include detailed information about the quantification of Cex in radiocarbon molecular marker analysis using BPCA. Error propagation calculations indicate that ultra-microscale samples (20-30 μg) are feasible with uncertainties of less than 10 %. Calculations of the constant contamination reveal important information about the source (F14C) and mass (μg) of Cex (Wacker and Christl, 2011) for each sub procedure. An external correction of compound specific radiocarbon data is essential for robust results that allow for a high degree of confidence in the 14C results. References Shah and Pearson, 2007. Ultra-microscale (5-25μg C) analysis of individual lipids by 14C AMS: Assessment and correction for sample processing blanks. Radiocarbon 49(1), 69-82. Wacker, L. and M. Christl. 2011. Data reduction for small radiocarbon samples - error propagation using the model of constant contamination. Ion Beam Physics, ETH Zurich, Annual report 2011. Wiedemeier, D.B., S.Q. Lang, M. Gierga, S. Abiven, S.M. Bernasconi, G.L. Bernasconi-Green, I. Hajdas, U.M. Hanke, M.D. Hilf, C.P. McIntyre, M.P.W. Schneider, R.H. Smittenberg, L. Wacker, G.L.B. Wiesenberg, M.W.I. Schmidt. Characterization, quantification and compound-specific isotopic analysis of pyrogenic carbon using benzene polycarboxylic acids (BPCA). Journal of Visualized Experiments. In press.

Potential contributions of asphalt and coal tar to black carbon quantification in urban dust, soils, and sediments

USGS Publications Warehouse

Yang, Y.; Mahler, B.J.; Van Metre, P.C.; Ligouis, B.; Werth, C.J.

2010-01-01

Measurements of black carbon (BC) using either chemical or thermal oxidation methods are generally thought to indicate the amount of char and/or soot present in a sample. In urban environments, however, asphalt and coal-tar particles worn from pavement are ubiquitous and, because of their pyrogenic origin, could contribute to measurements of BC. Here we explored the effect of the presence of asphalt and coal-tar particles on the quantification of BC in a range of urban environmental sample types, and evaluated biases in the different methods used for quantifying BC. Samples evaluated were pavement dust, residential and commercial area soils, lake sediments from a small urban watershed, and reference materials of asphalt and coal tar. Total BC was quantified using chemical treatment through acid dichromate (Cr2O7) oxidation and chemo-thermal oxidation at 375??C (CTO-375). BC species, including soot and char/charcoal, asphalt, and coal tar, were quantified with organic petrographic analysis. Comparison of results by the two oxidation methods and organic petrography indicates that both coal tar and asphalt contribute to BC quantified by Cr2O7 oxidation, and that coal tar contributes to BC quantified by CTO-375. These results are supported by treatment of asphalt and coal-tar reference samples with Cr2O7 oxidation and CTO-375. The reference asphalt is resistant to Cr2O7 oxidation but not to CTO-375, and the reference coal tar is resistant to both Cr2O7 oxidation and CTO-375. These results indicate that coal tar and/or asphalt can contribute to BC measurements in samples from urban areas using Cr2O7 oxidation or CTO-375, and caution is advised when interpreting BC measurements made with these methods. ?? 2010 Elsevier Ltd.

Chemical lasers: a comprehensive literature survey.

PubMed

Arnold, S J; Rojeska, H

1973-02-01

A bibliography of chemical laser publications covering the period 1964 through 1971 has been compiled. The chronologically listed references are followed by tables showing the chemical systems exhibiting laser action and by an alphabetical author index.

Chemical Lasers: A Comprehensive Literature Survey,

DTIC Science & Technology

A bibliography of chemical laser publications covering the period 1964 through 1971 has been compiled. The chronologically listed references are followed by tables showing the chemical systems exhibiting laser action and by an alphabetical author index . (Author)

Utilization of optimized BCR three-step sequential and dilute HCl single extraction procedures for soil-plant metal transfer predictions in contaminated lands.

PubMed

Kubová, Jana; Matús, Peter; Bujdos, Marek; Hagarová, Ingrid; Medved', Ján

2008-05-30

The prediction of soil metal phytoavailability using the chemical extractions is a conventional approach routinely used in soil testing. The adequacy of such soil tests for this purpose is commonly assessed through a comparison of extraction results with metal contents in relevant plants. In this work, the fractions of selected risk metals (Al, As, Cd, Cu, Fe, Mn, Ni, Pb, Zn) that can be taken up by various plants were obtained by optimized BCR (Community Bureau of Reference) three-step sequential extraction procedure (SEP) and by single 0.5 mol L(-1) HCl extraction. These procedures were validated using five soil and sediment reference materials (SRM 2710, SRM 2711, CRM 483, CRM 701, SRM RTH 912) and applied to significantly different acidified soils for the fractionation of studied metals. The new indicative values of Al, Cd, Cu, Fe, Mn, P, Pb and Zn fractional concentrations for these reference materials were obtained by the dilute HCl single extraction. The influence of various soil genesis, content of essential elements (Ca, Mg, K, P) and different anthropogenic sources of acidification on extraction yields of individual risk metal fractions was investigated. The concentrations of studied elements were determined by atomic spectrometry methods (flame, graphite furnace and hydride generation atomic absorption spectrometry and inductively coupled plasma optical emission spectrometry). It can be concluded that the data of extraction yields from first BCR SEP acid extractable step and soil-plant transfer coefficients can be applied to the prediction of qualitative mobility of selected risk metals in different soil systems.

Towards absolute quantification of allergenic proteins in food--lysozyme in wine as a model system for metrologically traceable mass spectrometric methods and certified reference materials.

PubMed

Cryar, Adam; Pritchard, Caroline; Burkitt, William; Walker, Michael; O'Connor, Gavin; Burns, Duncan Thorburn; Quaglia, Milena

2013-01-01

Current routine food allergen quantification methods, which are based on immunochemistry, offer high sensitivity but can suffer from issues of specificity and significant variability of results. MS approaches have been developed, but currently lack metrological traceability. A feasibility study on the application of metrologically traceable MS-based reference procedures was undertaken. A proof of concept involving proteolytic digestion and isotope dilution MS for quantification of protein allergens in a food matrix was undertaken using lysozyme in wine as a model system. A concentration of lysozyme in wine of 0.95 +/- 0.03 microg/g was calculated based on the concentrations of two peptides, confirming that this type of analysis is viable at allergenically meaningful concentrations. The challenges associated with this promising method were explored; these included peptide stability, chemical modification, enzymatic digestion, and sample cleanup. The method is suitable for the production of allergen in food certified reference materials, which together with the achieved understanding of the effects of sample preparation and of the matrix on the final results, will assist in addressing the bias of the techniques routinely used and improve measurement confidence. Confirmation of the feasibility of MS methods for absolute quantification of an allergenic protein in a food matrix with results traceable to the International System of Units is a step towards meaningful comparison of results for allergen proteins among laboratories. This approach will also underpin risk assessment and risk management of allergens in the food industry, and regulatory compliance of the use of thresholds or action levels when adopted.