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Sample records for advanced analytical chemistry

  1. Advances in analytical chemistry

    NASA Technical Reports Server (NTRS)

    Arendale, W. F.; Congo, Richard T.; Nielsen, Bruce J.

    1991-01-01

    Implementation of computer programs based on multivariate statistical algorithms makes possible obtaining reliable information from long data vectors that contain large amounts of extraneous information, for example, noise and/or analytes that we do not wish to control. Three examples are described. Each of these applications requires the use of techniques characteristic of modern analytical chemistry. The first example, using a quantitative or analytical model, describes the determination of the acid dissociation constant for 2,2'-pyridyl thiophene using archived data. The second example describes an investigation to determine the active biocidal species of iodine in aqueous solutions. The third example is taken from a research program directed toward advanced fiber-optic chemical sensors. The second and third examples require heuristic or empirical models.

  2. Science Update: Analytical Chemistry.

    ERIC Educational Resources Information Center

    Worthy, Ward

    1980-01-01

    Briefly discusses new instrumentation in the field of analytical chemistry. Advances in liquid chromatography, photoacoustic spectroscopy, the use of lasers, and mass spectrometry are also discussed. (CS)

  3. A Comprehensive Microfluidics Device Construction and Characterization Module for the Advanced Undergraduate Analytical Chemistry Laboratory

    ERIC Educational Resources Information Center

    Piunno, Paul A. E.; Zetina, Adrian; Chu, Norman; Tavares, Anthony J.; Noor, M. Omair; Petryayeva, Eleonora; Uddayasankar, Uvaraj; Veglio, Andrew

    2014-01-01

    An advanced analytical chemistry undergraduate laboratory module on microfluidics that spans 4 weeks (4 h per week) is presented. The laboratory module focuses on comprehensive experiential learning of microfluidic device fabrication and the core characteristics of microfluidic devices as they pertain to fluid flow and the manipulation of samples.…

  4. An advanced search engine for patent analytics in medicinal chemistry.

    PubMed

    Pasche, Emilie; Gobeill, Julien; Teodoro, Douglas; Gaudinat, Arnaud; Vishnykova, Dina; Lovis, Christian; Ruch, Patrick

    2012-01-01

    Patent collections contain an important amount of medical-related knowledge, but existing tools were reported to lack of useful functionalities. We present here the development of TWINC, an advanced search engine dedicated to patent retrieval in the domain of health and life sciences. Our tool embeds two search modes: an ad hoc search to retrieve relevant patents given a short query and a related patent search to retrieve similar patents given a patent. Both search modes rely on tuning experiments performed during several patent retrieval competitions. Moreover, TWINC is enhanced with interactive modules, such as chemical query expansion, which is of prior importance to cope with various ways of naming biomedical entities. While the related patent search showed promising performances, the ad-hoc search resulted in fairly contrasted results. Nonetheless, TWINC performed well during the Chemathlon task of the PatOlympics competition and experts appreciated its usability.

  5. An Advanced Analytical Chemistry Experiment Using Gas Chromatography-Mass Spectrometry, MATLAB, and Chemometrics to Predict Biodiesel Blend Percent Composition

    ERIC Educational Resources Information Center

    Pierce, Karisa M.; Schale, Stephen P.; Le, Trang M.; Larson, Joel C.

    2011-01-01

    We present a laboratory experiment for an advanced analytical chemistry course where we first focus on the chemometric technique partial least-squares (PLS) analysis applied to one-dimensional (1D) total-ion-current gas chromatography-mass spectrometry (GC-TIC) separations of biodiesel blends. Then, we focus on n-way PLS (n-PLS) applied to…

  6. Frontiers in analytical chemistry

    SciTech Connect

    Amato, I.

    1988-12-15

    Doing more with less was the modus operandi of R. Buckminster Fuller, the late science genius, and inventor of such things as the geodesic dome. In late September, chemists described their own version of this maxim--learning more chemistry from less material and in less time--in a symposium titled Frontiers in Analytical Chemistry at the 196th National Meeting of the American Chemical Society in Los Angeles. Symposium organizer Allen J. Bard of the University of Texas at Austin assembled six speakers, himself among them, to survey pretty widely different areas of analytical chemistry.

  7. Analytical Chemistry in Russia.

    PubMed

    Zolotov, Yuri

    2016-09-06

    Research in Russian analytical chemistry (AC) is carried out on a significant scale, and the analytical service solves practical tasks of geological survey, environmental protection, medicine, industry, agriculture, etc. The education system trains highly skilled professionals in AC. The development and especially manufacturing of analytical instruments should be improved; in spite of this, there are several good domestic instruments and other satisfy some requirements. Russian AC has rather good historical roots.

  8. Quo vadis, analytical chemistry?

    PubMed

    Valcárcel, Miguel

    2016-01-01

    This paper presents an open, personal, fresh approach to the future of Analytical Chemistry in the context of the deep changes Science and Technology are anticipated to experience. Its main aim is to challenge young analytical chemists because the future of our scientific discipline is in their hands. A description of not completely accurate overall conceptions of our discipline, both past and present, to be avoided is followed by a flexible, integral definition of Analytical Chemistry and its cornerstones (viz., aims and objectives, quality trade-offs, the third basic analytical reference, the information hierarchy, social responsibility, independent research, transfer of knowledge and technology, interfaces to other scientific-technical disciplines, and well-oriented education). Obsolete paradigms, and more accurate general and specific that can be expected to provide the framework for our discipline in the coming years are described. Finally, the three possible responses of analytical chemists to the proposed changes in our discipline are discussed.

  9. Analytical Chemistry Laboratory

    NASA Technical Reports Server (NTRS)

    Anderson, Mark

    2013-01-01

    The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.

  10. Nuclear analytical chemistry

    SciTech Connect

    Brune, D.; Forkman, B.; Persson, B.

    1984-01-01

    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

  11. ENVIRONMENTAL ANALYTICAL CHEMISTRY OF ...

    EPA Pesticide Factsheets

    Within the scope of a number of emerging contaminant issues in environmental analysis, one area that has received a great deal of public interest has been the assessment of the role of pharmaceuticals and personal care products (PPCPs) as stressors and agents of change in ecosystems as well as their role in unplanned human exposure. The relationship between personal actions and the occurrence of PPCPs in the environment is clear-cut and comprehensible to the public. In this overview, we attempt to examine the separations aspect of the analytical approach to the vast array of potential analytes among this class of compounds. We also highlight the relationship between these compounds and endocrine disrupting compounds (EDCs) and between PPCPs and EDCs and the more traditional environmental analytes such as the persistent organic pollutants (POPs). Although the spectrum of chemical behavior extends from hydrophobic to hydrophilic, the current focus has shifted to moderately and highly polar analytes. Thus, emphasis on HPLC and LC/MS has grown and MS/MS has become a detection technique of choice with either electrospray ionization or atmospheric pressure chemical ionization. This contrasts markedly with the bench mark approach of capillary GC, GC/MS and electron ionization in traditional environmental analysis. The expansion of the analyte list has fostered new vigor in the development of environmental analytical chemistry, modernized the range of tools appli

  12. Integrating Organic Matter Structure with Ecosystem Function using Advanced Analytical Chemistry Techniques

    NASA Astrophysics Data System (ADS)

    Boot, C. M.

    2012-12-01

    Microorganisms are the primary transformers of organic matter in terrestrial and aquatic ecosystems. The structure of organic matter controls its bioavailability and researchers have long sought to link the chemical characteristics of the organic matter pool to its lability. To date this effort has been primarily attempted using low resolution descriptive characteristics (e.g. organic matter content, carbon to nitrogen ratio, aromaticity, etc .). However, recent progress in linking these two important ecosystem components has been advanced using advanced high resolution tools (e.g. nuclear magnetic resonance (NMR) spectroscopy, and mass spectroscopy (MS)-based techniques). A series of experiments will be presented that highlight the application of high resolution techniques in a variety of terrestrial and aquatic ecosystems with the focus on how these data explicitly provide the foundation for integrating organic matter structure into our concept of ecosystem function. The talk will highlight results from a series of experiments including: an MS-based metabolomics and fluorescence excitation emission matrix approach evaluating seasonal and vegetation based changes in dissolved organic matter (DOM) composition from arctic soils; Fourier transform ion cyclotron resonance (FTICR) MS and MS metabolomics analysis of DOM from three lakes in an alpine watershed; and the transformation of 13C labeled glucose track with NMR during a rewetting experiment from Colorado grassland soils. These data will be synthesized to illustrate how the application of advanced analytical techniques provides novel insight into our understanding of organic matter processing in a wide range of ecosystems.

  13. Ultrasound in analytical chemistry.

    PubMed

    Priego Capote, F; Luque de Castro, M D

    2007-01-01

    Ultrasound is a type of energy which can help analytical chemists in almost all their laboratory tasks, from cleaning to detection. A generic view of the different steps which can be assisted by ultrasound is given here. These steps include preliminary operations usually not considered in most analytical methods (e.g. cleaning, degassing, and atomization), sample preparation being the main area of application. In sample preparation ultrasound is used to assist solid-sample treatment (e.g. digestion, leaching, slurry formation) and liquid-sample preparation (e.g. liquid-liquid extraction, emulsification, homogenization) or to promote heterogeneous sample treatment (e.g. filtration, aggregation, dissolution of solids, crystallization, precipitation, defoaming, degassing). Detection techniques based on use of ultrasonic radiation, the principles on which they are based, responses, and the quantities measured are also discussed.

  14. Laser ablation in analytical chemistry.

    PubMed

    Russo, Richard E; Mao, Xianglei; Gonzalez, Jhanis J; Zorba, Vassilia; Yoo, Jong

    2013-07-02

    In 2002, we wrote an Analytical Chemistry feature article describing the Physics of Laser Ablation in Microchemical Analysis. In line with the theme of the 2002 article, this manuscript discusses current issues in fundamental research, applications based on detecting photons at the ablation site (LIBS and LAMIS) and by collecting particles for excitation in a secondary source (ICP), and directions for the technology.

  15. Analytical Chemistry and the Microchip.

    ERIC Educational Resources Information Center

    Lowry, Robert K.

    1986-01-01

    Analytical techniques used at various points in making microchips are described. They include: Fourier transform infrared spectrometry (silicon purity); optical emission spectroscopy (quantitative thin-film composition); X-ray photoelectron spectroscopy (chemical changes in thin films); wet chemistry, instrumental analysis (process chemicals);…

  16. Microcomputer Applications in Analytical Chemistry.

    ERIC Educational Resources Information Center

    Long, Joseph W.

    The first part of this paper addresses the following topics: (1) the usefulness of microcomputers; (2) applications for microcomputers in analytical chemistry; (3) costs; (4) major microcomputer systems and subsystems; and (5) which microcomputer to buy. Following these brief comments, the major focus of the paper is devoted to a discussion of…

  17. Analytical Chemistry as an Information Science.

    DTIC Science & Technology

    1981-06-01

    AD-AIOS 433 WASHINGTON UNIV SEATTLE LAB OR CHEMOMETRICS /7/ ANALYTICAL CHEMISTRY AS AN INFORMATION SCIENCE Ul NAb7/ .JUN 81 B A KO WALSKI NUUUIA 75C...AN INFORMATION SCIENCE by B. R. Kowalski Prepared for Publication in Trends in Analytical Chemistry University of Washington Department of Chemistry...S. TYPE OF REPORT & PERIOD COVERED Technical Report - Interim ANALYTICAL CHEMISTRY AS AN INFORMATION SCIENCE , 2/1981 - 6/1981 6. PERFORMING ORG

  18. Modern Analytical Chemistry in the Contemporary World

    ERIC Educational Resources Information Center

    Šíma, Jan

    2016-01-01

    Students not familiar with chemistry tend to misinterpret analytical chemistry as some kind of the sorcery where analytical chemists working as modern wizards handle magical black boxes able to provide fascinating results. However, this approach is evidently improper and misleading. Therefore, the position of modern analytical chemistry among…

  19. Green analytical chemistry--theory and practice.

    PubMed

    Tobiszewski, Marek; Mechlińska, Agata; Namieśnik, Jacek

    2010-08-01

    This tutorial review summarises the current state of green analytical chemistry with special emphasis on environmentally friendly sample preparation techniques. Green analytical chemistry is a part of the sustainable development concept; its history and origins are described. Miniaturisation of analytical devices and shortening the time elapsing between performing analysis and obtaining reliable analytical results are important aspects of green analytical chemistry. Solventless extraction techniques, the application of alternative solvents and assisted extractions are considered to be the main approaches complying with green analytical chemistry principles.

  20. Significant steps in the evolution of analytical chemistry--is the today's analytical chemistry only chemistry?

    PubMed

    Karayannis, Miltiades I; Efstathiou, Constantinos E

    2012-12-15

    In this review the history of chemistry and specifically the history and the significant steps of the evolution of analytical chemistry are presented. In chronological time spans, covering the ancient world, the middle ages, the period of the 19th century, and the three evolutional periods, from the verge of the 19th century to contemporary times, it is given information for the progress of chemistry and analytical chemistry. During this period, analytical chemistry moved gradually from its pure empirical nature to more rational scientific activities, transforming itself to an autonomous branch of chemistry and a separate discipline. It is also shown that analytical chemistry moved gradually from the status of exclusive serving the chemical science, towards serving, the environment, health, law, almost all areas of science and technology, and the overall society. Some recommendations are also directed to analytical chemistry educators concerning the indispensable nature of knowledge of classical analytical chemistry and the associated laboratory exercises and to analysts, in general, why it is important to use the chemical knowledge to make measurements on problems of everyday life.

  1. Emphasizing Mineral Chemistry in an Analytical Chemistry Unit.

    ERIC Educational Resources Information Center

    Dunn, Jeffrey G.; And Others

    1995-01-01

    Describes an analytical chemistry unit in the second year of the chemistry degree course at Curtin University that was designed to reflect the numerous employment opportunities for chemistry graduates in the mineral processing industries and private analytical laboratories. Presents the lecture syllabus, the laboratory course description, and…

  2. An Advanced Chemistry Laboratory Program.

    ERIC Educational Resources Information Center

    Wise, John H.

    The Advanced Chemistry Laboratory Program is a project designed to devise experiments to coordinate the use of instruments in the laboratory programs of physical chemistry, instrumental analysis, and inorganic chemistry at the advanced undergraduate level. It is intended that such experiments would incorporate an introduction to the instrument…

  3. Analytical Chemistry in Microenvironments: Single Nerve Cells.

    DTIC Science & Technology

    1992-03-16

    AD-A251 491 * - OFFICE OF NAVAL RESEARCH GRANT or CONTRACT N00014-90-J-1161 R & T Code 4133030 Technical Report No. 012 Analytical Chemistry in...AGENCY USE ONLY (Leave oldnk) 2. REPORT DATE 1. R EP O R T T Y P E AND DATES COVERED 4. TITLE AND SUBTITLE S. FUNDING NUMBERS Analytical Chemistry in...CLASSIFICATION 20. LIMITATION OF ABSTRACT OF REPORT OF THIS PAGE OF ABSTRACT unclassified unclassified unclassified ANALYTICAL CHEMISTRY IN

  4. Teaching social responsibility in analytical chemistry.

    PubMed

    Valcárcel, M; Christian, G D; Lucena, R

    2013-07-02

    Analytical chemistry is key to the functioning of a modern society. From early days, ethics in measurements have been a concern and that remains today, especially as we have come to rely more on the application of analytical science in many aspects of our lives. The main aim of this Feature is to suggest ways of introducing the topic of social responsibility and its relation to analytical chemistry in undergraduate or graduate chemistry courses.

  5. Ternary complexes in analytical chemistry.

    PubMed

    Babko, A K

    1968-08-01

    Reactions between a complex AB and a third component C do not always proceed by a displacement mechanism governed by the energy difference of the chemical bonds A-B and A-C. The third component often becomes part of the complex, forming a mixed co-ordination sphere or ternary complex. The properties of this ternary complex ABC are not additive functions of the properties of AB and AC. Such reactions are important in many methods in analytical chemistry, particularly in photometric analysis, extractive separation, masking, etc. The general properties of the four basic types of ternary complex are reviewed and examples given. The four types comprise the systems (a) metal ion, electronegative ligand, organic base, (b) one metal ion, two different electronegative ligands, (c) ternary heteropoly acids, and (d) two different metal ions, one ligand.

  6. Advanced Chemistry Basins Model

    SciTech Connect

    William Goddard; Mario Blanco; Lawrence Cathles; Paul Manhardt; Peter Meulbroek; Yongchun Tang

    2002-11-10

    The DOE-funded Advanced Chemistry Basin model project is intended to develop a public domain, user-friendly basin modeling software under PC or low end workstation environment that predicts hydrocarbon generation, expulsion, migration and chemistry. The main features of the software are that it will: (1) afford users the most flexible way to choose or enter kinetic parameters for different maturity indicators; (2) afford users the most flexible way to choose or enter compositional kinetic parameters to predict hydrocarbon composition (e.g., gas/oil ratio (GOR), wax content, API gravity, etc.) at different kerogen maturities; (3) calculate the chemistry, fluxes and physical properties of all hydrocarbon phases (gas, liquid and solid) along the primary and secondary migration pathways of the basin and predict the location and intensity of phase fractionation, mixing, gas washing, etc.; and (4) predict the location and intensity of de-asphaltene processes. The project has be operative for 36 months, and is on schedule for a successful completion at the end of FY 2003.

  7. The Mars Analytical Chemistry Experiment

    NASA Astrophysics Data System (ADS)

    Dissly, R. W.; Waite, J. H.; Chassefiere, E.; Sacks, R.; Block, B.; Scherer, S.; Young, D. T.; Miller, G. P.; Nicks, D. K.; Beauchamp, P. M.; Croonquist, A.; Berthelier, J.-J.; Jambon, A.

    2004-11-01

    Future missions to Mars will offer the opportunity to continue the search for organic molecules accessible from the surface, and to better quantify the cycling of volatile elements through geochemical pathways. This presentation describes an analytical instrument suite that is designed to measure elemental, isotopic, and potential organic signatures contained in the atmosphere and near surface reservoirs on Mars. The Mars Analytical Chemistry Experiment (MACE) combines two unique mass-spectrometer-based instruments to accomplish these measurements. The first instrument combines a sample handling system with a reusable pyrolysis oven for processing solid materials. Evolved volatile gases from the pyrolyzer are either oxidized for elemental analysis, or sent through a preconcentrator into a two-dimensional gas chromatograph for separation of organics. The processed gas stream is them sent to a high resolution dynamic time-of-flight mass spectrometer for detection. The second instrument is designed primarily for direct atmospheric measurements, using a combination of catalyst beds, getters, and cryogenic traps to separate and concentrate species of interest, such as noble gases. Concentrated gases are subsequently detected with a second mass spectrometer. This instrument can also be used to analyze evolved gases from the pyrolyzer in the first instrument. A breadboard version of each of these instruments has been demonstrated in the laboratory. In this presentaion, we will discuss the design, applicability, and capabilities of the MACE suite in more detail.

  8. Science and Technology Text Mining: Analytical Chemistry

    DTIC Science & Technology

    2001-01-01

    mainly) from analytical chemistry, will be presented. KEYWORDS: text mining; information retrieval; bibliometrics ; computational linguistics; information...analytical chemistry, will be presented. 15. SUBJECT TERMS text mining; information retrieval; bibliometrics ; computational linguistics; information...records. Our definition includes three components: 1) Bibliometrics ; 2) Computational Linguistics; 3) Clustering. For multi-field structured records

  9. Contained radiological analytical chemistry module

    DOEpatents

    Barney, David M.

    1990-01-01

    A system which provides analytical determination of a plurality of water chemistry parameters with respect to water samples subject to radiological contamination. The system includes a water sample analyzer disposed within a containment and comprising a sampling section for providing predetermined volumes of samples for analysis; a flow control section for controlling the flow through the system; and a gas analysis section for analyzing samples provided by the sampling system. The sampling section includes a controllable multiple port valve for, in one position, metering out sample of a predetermined volume and for, in a second position, delivering the material sample for analysis. The flow control section includes a regulator valve for reducing the pressure in a portion of the system to provide a low pressure region, and measurement devices located in the low pressure region for measuring sample parameters such as pH and conductivity, at low pressure. The gas analysis section which is of independent utility provides for isolating a small water sample and extracting the dissolved gases therefrom into a small expansion volume wherein the gas pressure and thermoconductivity of the extracted gas are measured.

  10. Contained radiological analytical chemistry module

    DOEpatents

    Barney, David M.

    1989-01-01

    A system which provides analytical determination of a plurality of water chemistry parameters with respect to water samples subject to radiological contamination. The system includes a water sample analyzer disposed within a containment and comprising a sampling section for providing predetermined volumes of samples for analysis; a flow control section for controlling the flow through the system; and a gas analysis section for analyzing samples provided by the sampling system. The sampling section includes a controllable multiple port valve for, in one position, metering out sample of a predetermined volume and for, in a second position, delivering the material sample for analysis. The flow control section includes a regulator valve for reducing the pressure in a portion of the system to provide a low pressure region, and measurement devices located in the low pressure region for measuring sample parameters such as pH and conductivity, at low pressure. The gas analysis section which is of independent utility provides for isolating a small water sample and extracting the dissolved gases therefrom into a small expansion volume wherein the gas pressure and thermoconductivity of the extracted gas are measured.

  11. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

    PubMed

    Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek

    2015-06-12

    The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

  12. Modern analytical chemistry in the contemporary world

    NASA Astrophysics Data System (ADS)

    Šíma, Jan

    2016-12-01

    Students not familiar with chemistry tend to misinterpret analytical chemistry as some kind of the sorcery where analytical chemists working as modern wizards handle magical black boxes able to provide fascinating results. However, this approach is evidently improper and misleading. Therefore, the position of modern analytical chemistry among sciences and in the contemporary world is discussed. Its interdisciplinary character and the necessity of the collaboration between analytical chemists and other experts in order to effectively solve the actual problems of the human society and the environment are emphasized. The importance of the analytical method validation in order to obtain the accurate and precise results is highlighted. The invalid results are not only useless; they can often be even fatal (e.g., in clinical laboratories). The curriculum of analytical chemistry at schools and universities is discussed. It is referred to be much broader than traditional equilibrium chemistry coupled with a simple description of individual analytical methods. Actually, the schooling of analytical chemistry should closely connect theory and practice.

  13. ANALYTICAL CHEMISTRY RESEARCH NEEDS FOR ...

    EPA Pesticide Factsheets

    The consensus among environmental scientists and risk assessors is that the fate and effects of pharmaceutical and personal care products (PPCPS) in the environment are poorly understood. Many classes of PPCPs have yet to be investigated. Acquisition of trends data for a suite of PPCPs (representatives from each of numerous significant classes), shown to recur amongst municipal wastewater treatment plants across the country, may prove of key importance. The focus of this paper is an overview of some of the analytical methods being developed at the Environmenental Protection Agency and their application to wastewater and surface water samples. Because PPCPs are generally micro-pollutants, emphasis is on development of enrichment and pre- concentration techniques using various means of solid-phase extraction. The research focused on in the subtasks is the development and application of state-of the-art technologies to meet the needs of the public, Office of Water, and ORD in the area of Water Quality. Located In the subtasks are the various research projects being performed in support of this Task and more in-depth coverage of each project. Briefly, each project's objective is stated below.Subtask 1: To integrate state-of-the-art technologies (polar organic chemical integrative samplers, advanced solid-phase extraction methodologies with liquid chromatography/electrospray/mass spectrometry) and apply them to studying the sources and fate of a select list of PPCP

  14. Light-emitting diodes for analytical chemistry.

    PubMed

    Macka, Mirek; Piasecki, Tomasz; Dasgupta, Purnendu K

    2014-01-01

    Light-emitting diodes (LEDs) are playing increasingly important roles in analytical chemistry, from the final analysis stage to photoreactors for analyte conversion to actual fabrication of and incorporation in microdevices for analytical use. The extremely fast turn-on/off rates of LEDs have made possible simple approaches to fluorescence lifetime measurement. Although they are increasingly being used as detectors, their wavelength selectivity as detectors has rarely been exploited. From their first proposed use for absorbance measurement in 1970, LEDs have been used in analytical chemistry in too many ways to make a comprehensive review possible. Hence, we critically review here the more recent literature on their use in optical detection and measurement systems. Cloudy as our crystal ball may be, we express our views on the future applications of LEDs in analytical chemistry: The horizon will certainly become wider as LEDs in the deep UV with sufficient intensity become available.

  15. Contributions of Analytical Chemistry to the Clinical Laboratory.

    ERIC Educational Resources Information Center

    Skogerboe, Kristen J.

    1988-01-01

    Highlights several analytical techniques that are being used in state-of-the-art clinical labs. Illustrates how other advances in instrumentation may contribute to clinical chemistry in the future. Topics include: biosensors, polarization spectroscopy, chemiluminescence, fluorescence, photothermal deflection, and chromatography in clinical…

  16. An Experimental Introduction to Interlaboratory Exercises in Analytical Chemistry

    ERIC Educational Resources Information Center

    Puignou, L.; Llaurado, M.

    2005-01-01

    An experimental exercise on analytical proficiency studies in collaborative trials is proposed. This practical provides students in advanced undergraduate courses in chemistry, pharmacy, and biochemistry, with the opportunity to improve their quality assurance skills. It involves an environmental analysis, determining the concentration of a…

  17. Analytical Chemistry of Nitric Oxide

    PubMed Central

    Hetrick, Evan M.

    2013-01-01

    Nitric oxide (NO) is the focus of intense research, owing primarily to its wide-ranging biological and physiological actions. A requirement for understanding its origin, activity, and regulation is the need for accurate and precise measurement techniques. Unfortunately, analytical assays for monitoring NO are challenged by NO’s unique chemical and physical properties, including its reactivity, rapid diffusion, and short half-life. Moreover, NO concentrations may span pM to µM in physiological milieu, requiring techniques with wide dynamic response ranges. Despite such challenges, many analytical techniques have emerged for the detection of NO. Herein, we review the most common spectroscopic and electrochemical methods, with special focus on the fundamentals behind each technique and approaches that have been coupled with modern analytical measurement tools or exploited to create novel NO sensors. PMID:20636069

  18. Analytical chemistry of nitric oxide.

    PubMed

    Hetrick, Evan M; Schoenfisch, Mark H

    2009-01-01

    Nitric oxide (NO) is the focus of intense research primarily because of its wide-ranging biological and physiological actions. To understand its origin, activity, and regulation, accurate and precise measurement techniques are needed. Unfortunately, analytical assays for monitoring NO are challenged by NO's unique chemical and physical properties, including its reactivity, rapid diffusion, and short half-life. Moreover, NO concentrations may span the picomolar-to-micromolar range in physiological milieus, requiring techniques with wide dynamic response ranges. Despite such challenges, many analytical techniques have emerged for the detection of NO. Herein, we review the most common spectroscopic and electrochemical methods, with a focus on the underlying mechanism of each technique and on approaches that have been coupled with modern analytical measurement tools to create novel NO sensors.

  19. Dielectric barrier discharges in analytical chemistry.

    PubMed

    Meyer, C; Müller, S; Gurevich, E L; Franzke, J

    2011-06-21

    The present review reflects the importance of dielectric barrier discharges in analytical chemistry. Special about this discharge is-and in contrast to usual discharges with direct current-that the plasma is separated from one or two electrodes by a dielectric barrier. This gives rise to two main features of the dielectric barrier discharges; it can serve as dissociation and excitation device and as ionization mechanism, respectively. The article portrays the various application fields for dielectric barrier discharges in analytical chemistry, for example the use for elemental detection with optical spectrometry or as ionization source for mass spectrometry. Besides the introduction of different kinds of dielectric barrier discharges used for analytical chemistry from the literature, a clear and concise classification of dielectric barrier discharges into capacitively coupled discharges is provided followed by an overview about the characteristics of a dielectric barrier discharge concerning discharge properties and the ignition mechanism.

  20. Advanced fuel chemistry for advanced engines.

    SciTech Connect

    Taatjes, Craig A.; Jusinski, Leonard E.; Zador, Judit; Fernandes, Ravi X.; Miller, James A.

    2009-09-01

    Autoignition chemistry is central to predictive modeling of many advanced engine designs that combine high efficiency and low inherent pollutant emissions. This chemistry, and especially its pressure dependence, is poorly known for fuels derived from heavy petroleum and for biofuels, both of which are becoming increasingly prominent in the nation's fuel stream. We have investigated the pressure dependence of key ignition reactions for a series of molecules representative of non-traditional and alternative fuels. These investigations combined experimental characterization of hydroxyl radical production in well-controlled photolytically initiated oxidation and a hybrid modeling strategy that linked detailed quantum chemistry and computational kinetics of critical reactions with rate-equation models of the global chemical system. Comprehensive mechanisms for autoignition generally ignore the pressure dependence of branching fractions in the important alkyl + O{sub 2} reaction systems; however we have demonstrated that pressure-dependent 'formally direct' pathways persist at in-cylinder pressures.

  1. Analytical Chemistry at the Interface Between Materials Science and Biology

    SciTech Connect

    O'Brien, Janese C.

    2000-09-21

    Likedlessentid sciences, anal~cd chetis~continues toreinvent itself. Moving beyond its traditional roles of identification and quantification, analytical chemistry is now expanding its frontiers into areas previously reserved to other disciplines. This work describes several research efforts that lie at the new interfaces between analytical chemistry and two of these disciplines, namely materials science and biology. In the materials science realm, the search for new materials that may have useful or unique chromatographic properties motivated the synthesis and characterization of electrically conductive sol-gels. In the biology realm, the search for new surface fabrication schemes that would permit or even improve the detection of specific biological reactions motivated the design of miniaturized biological arrays. Collectively, this work represents some of analytical chemistry’s newest forays into these disciplines. The introduction section to this dissertation provides a literature review on several of the key aspects of this work. In advance of the materials science discussion, a brief introduction into electrochemically-modulated liquid chromatography (EMLC) and sol-gel chemistry is provided. In advance of the biological discussions, brief overviews of scanning force microscopy (SFM) and the oxidative chemistry used to construct our biological arrays are provided. This section is followed by four chapters, each of which is presented as a separate manuscript, and focuses on work that describes some of our cross-disciplinary efforts within materials science and biology. This dissertation concludes with a general summary and future prospectus.

  2. Analytical chemistry and measurement science: (What has DOE done for analytical chemistry. )

    SciTech Connect

    Shults, W.D.

    1989-01-01

    Over the past forty years, analytical scientists within the DOE complex have had a tremendous impact on the field of analytical chemistry. This paper suggests six ''high impact'' research/development areas that either originated within or were brought to maturity within the DOE laboratories. ''High impact'' means they lead to new subdisciplines or to new ways of doing business. 21 refs.

  3. Analytical Chemistry and Measurement Science: (What Has DOE Done for Analytical Chemistry?)

    DOE R&D Accomplishments Database

    Shults, W. D.

    1989-04-01

    Over the past forty years, analytical scientists within the DOE complex have had a tremendous impact on the field of analytical chemistry. This paper suggests six "high impact" research/development areas that either originated within or were brought to maturity within the DOE laboratories. "High impact" means they lead to new subdisciplines or to new ways of doing business.

  4. Analytical chemistry and measurement science; (What DOE has done for analytical chemistry)

    SciTech Connect

    Shults, W.D. . Analytical Chemistry Div.)

    1989-11-01

    Over the past forty years, analytical scientists within the Department of Energy (DOE) complex have had impact on the field of analytical chemistry. This paper suggests six research/development areas that either originated within or were brought to maturity with the DOE laboratories. These areas have lead to new subdisciplines or to new ways of doing business.

  5. Improving Conceptions in Analytical Chemistry: The Central Limit Theorem

    ERIC Educational Resources Information Center

    Rodriguez-Lopez, Margarita; Carrasquillo, Arnaldo, Jr.

    2006-01-01

    This article describes the central limit theorem (CLT) and its relation to analytical chemistry. The pedagogic rational, which argues for teaching the CLT in the analytical chemistry classroom, is discussed. Some analytical chemistry concepts that could be improved through an understanding of the CLT are also described. (Contains 2 figures.)

  6. Analytical Chemistry Core Capability Assessment - Preliminary Report

    SciTech Connect

    Barr, Mary E.; Farish, Thomas J.

    2012-05-16

    The concept of 'core capability' can be nebulous one. Even at a fairly specific level, where core capability equals maintaining essential services, it is highly dependent upon the perspective of the requestor. Samples are submitted to analytical services because the requesters do not have the capability to conduct adequate analyses themselves. Some requests are for general chemical information in support of R and D, process control, or process improvement. Many analyses, however, are part of a product certification package and must comply with higher-level customer quality assurance requirements. So which services are essential to that customer - just those for product certification? Does the customer also (indirectly) need services that support process control and improvement? And what is the timeframe? Capability is often expressed in terms of the currently utilized procedures, and most programmatic customers can only plan a few years out, at best. But should core capability consider the long term where new technologies, aging facilities, and personnel replacements must be considered? These questions, and a multitude of others, explain why attempts to gain long-term consensus on the definition of core capability have consistently failed. This preliminary report will not try to define core capability for any specific program or set of programs. Instead, it will try to address the underlying concerns that drive the desire to determine core capability. Essentially, programmatic customers want to be able to call upon analytical chemistry services to provide all the assays they need, and they don't want to pay for analytical chemistry services they don't currently use (or use infrequently). This report will focus on explaining how the current analytical capabilities and methods evolved to serve a variety of needs with a focus on why some analytes have multiple analytical techniques, and what determines the infrastructure for these analyses. This information will be

  7. Recent Advances in Azaborine Chemistry

    PubMed Central

    Campbell, Patrick G.; Marwitz, Adam J. V.

    2013-01-01

    The chemistry of organoboron compounds has been primarily dominated by their use as powerful reagents in synthetic organic chemistry. Recently, the incorporation of boron as part of a functional target structure has emerged as a useful way to generate diversity in organic compounds. A commonly applied strategy is the replacement of a CC unit with its isoelectronic BN unit. In particular, the BN/CC isosterism of the ubiquitous arene motif has undergone a renaissance in the past decade. The parent molecule of the 1,2-dihydro-1,2-azaborine family has now been isolated. New mono- and polycyclic BN heterocycles have been synthesized for potential use in biomedical and materials science applications. This review is a tribute to Dewar's first synthesis of a monocyclic 1,2-dihydro-1,2-azaborine 50 years ago and discusses recent advances in the synthesis and characterization of carbon(C)-boron(B)-nitrogen(N)-containing heterocycles. PMID:22644658

  8. THE ADVANCED CHEMISTRY BASINS PROJECT

    SciTech Connect

    William Goddard; Peter Meulbroek; Yongchun Tang; Lawrence Cathles III

    2004-04-05

    In the next decades, oil exploration by majors and independents will increasingly be in remote, inaccessible areas, or in areas where there has been extensive shallow exploration but deeper exploration potential may remain; areas where the collection of data is expensive, difficult, or even impossible, and where the most efficient use of existing data can drive the economics of the target. The ability to read hydrocarbon chemistry in terms of subsurface migration processes by relating it to the evolution of the basin and fluid migration is perhaps the single technological capability that could most improve our ability to explore effectively because it would allow us to use a vast store of existing or easily collected chemical data to determine the major migration pathways in a basin and to determine if there is deep exploration potential. To this end a the DOE funded a joint effort between California Institute of Technology, Cornell University, and GeoGroup Inc. to assemble a representative set of maturity and maturation kinetic models and develop an advanced basin model able to predict the chemistry of hydrocarbons in a basin from this input data. The four year project is now completed and has produced set of public domain maturity indicator and maturation kinetic data set, an oil chemistry and flash calculation tool operable under Excel, and a user friendly, graphically intuitive basin model that uses this data and flash tool, operates on a PC, and simulates hydrocarbon generation and migration and the chemical changes that can occur during migration (such as phase separation and gas washing). The DOE Advanced Chemistry Basin Model includes a number of new methods that represent advances over current technology. The model is built around the concept of handling arbitrarily detailed chemical composition of fluids in a robust finite-element 2-D grid. There are three themes on which the model focuses: chemical kinetic and equilibrium reaction parameters, chemical

  9. Applications of Optical Microcavity Resonators in Analytical Chemistry.

    PubMed

    Wade, James H; Bailey, Ryan C

    2016-06-12

    Optical resonator sensors are an emerging class of analytical technologies that use recirculating light confined within a microcavity to sensitively measure the surrounding environment. Bolstered by advances in microfabrication, these devices can be configured for a wide variety of chemical or biomolecular sensing applications. We begin with a brief description of optical resonator sensor operation, followed by discussions regarding sensor design, including different geometries, choices of material systems, methods of sensor interrogation, and new approaches to sensor operation. Throughout, key developments are highlighted, including advancements in biosensing and other applications of optical sensors. We discuss the potential of alternative sensing mechanisms and hybrid sensing devices for more sensitive and rapid analyses. We conclude with our perspective on the future of optical microcavity sensors and their promise as versatile detection elements within analytical chemistry.

  10. Honors and Advanced Placement Chemistry Courses.

    ERIC Educational Resources Information Center

    Journal of Chemical Education, 1983

    1983-01-01

    Summarizes papers and minipapers on honors and advanced placement (AP) chemistry courses presented at the Seventh Biennial Conference on Chemical Education (Stillwater, Oklahoma 1982). Advantages/disadvantages of AP chemistry, high school/college courses, and grouping all chemistry students in one class were among the topics discussed. (JN)

  11. Laser ablation in analytical chemistry - A review

    SciTech Connect

    Russo, Richard E.; Mao, Xianglei; Liu, Haichen; Gonzalez, Jhanis; Mao, Samuel S.

    2001-10-10

    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, 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.

  12. Microfluidics: applications for analytical purposes in chemistry and biochemistry.

    PubMed

    Ohno, Ken-ichi; Tachikawa, Kaoru; Manz, Andreas

    2008-11-01

    In this review, we present recent advancements and novel developments in fluidic systems for applied analytical purposes in chemistry, biochemistry, and life science in general that employ and reflect the full benefits of microfluidics. A staggering rise in publications related to integrated, all-in-one microfluidic chips capable of separation, reaction, and detection have been observed, all of which realise the principal of micro total analysis systems or lab-on-a-chip. These integrated chips actively adopt the scaling law concepts, utilising the highly developed fabrication techniques. Their aim is to multi-functionalise and fully automate devices believed to assist the future advancements of point-of-care, clinical, and medical diagnostics.

  13. Analytical Chemistry Laboratory progress report for FY 1989

    SciTech Connect

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Erickson, M.D.

    1989-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1989 (October 1988 through September 1989). The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

  14. Analytical Chemistry Laboratory progress report for FY 1991

    SciTech Connect

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Boparai, A.S.

    1991-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1991 (October 1990 through September 1991). This is the eighth annual report for the ACL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. In addition, the ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques.

  15. The evolution of analytical chemistry methods in foodomics.

    PubMed

    Gallo, Monica; Ferranti, Pasquale

    2016-01-08

    The methodologies of food analysis have greatly evolved over the past 100 years, from basic assays based on solution chemistry to those relying on the modern instrumental platforms. Today, the development and optimization of integrated analytical approaches based on different techniques to study at molecular level the chemical composition of a food may allow to define a 'food fingerprint', valuable to assess nutritional value, safety and quality, authenticity and security of foods. This comprehensive strategy, defined foodomics, includes emerging work areas such as food chemistry, phytochemistry, advanced analytical techniques, biosensors and bioinformatics. Integrated approaches can help to elucidate some critical issues in food analysis, but also to face the new challenges of a globalized world: security, sustainability and food productions in response to environmental world-wide changes. They include the development of powerful analytical methods to ensure the origin and quality of food, as well as the discovery of biomarkers to identify potential food safety problems. In the area of nutrition, the future challenge is to identify, through specific biomarkers, individual peculiarities that allow early diagnosis and then a personalized prognosis and diet for patients with food-related disorders. Far from the aim of an exhaustive review of the abundant literature dedicated to the applications of omic sciences in food analysis, we will explore how classical approaches, such as those used in chemistry and biochemistry, have evolved to intersect with the new omics technologies to produce a progress in our understanding of the complexity of foods. Perhaps most importantly, a key objective of the review will be to explore the development of simple and robust methods for a fully applied use of omics data in food science.

  16. Analytical chemistry in the Aegean Sea region: current status.

    PubMed

    Samanidou, Victoria F

    2012-12-01

    The Eighth Aegean Analytical Chemistry Days Conference took place in Urla, İzmir, Turkey, from 16-20 September 2012. This conference is held every 2 years, organized alternately by analytical chemistry departments of Turkish and Greek universities, so that analytical chemists from the region around the Aegean Sea can exchange experience and knowledge based on their research in a large number of fields. This report summarizes the most interesting presentations and posters pertaining to bioanalytical work.

  17. Using Modern Solid-State Analytical Tools for Investigations of an Advanced Carbon Capture Material: Experiments for the Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Wriedt, Mario; Sculley, Julian P.; Aulakh, Darpandeep; Zhou, Hong-Cai

    2016-01-01

    A simple and straightforward synthesis of an ultrastable porous metal-organic framework (MOF) based on copper(II) and a mixed N donor ligand system is described as a laboratory experiment for chemistry undergraduate students. These experiments and the resulting analysis are designed to teach students basic research tools and procedures while…

  18. Incorporating Information Literacy Skills into Analytical Chemistry: An Evolutionary Step

    ERIC Educational Resources Information Center

    Walczak, Mary M.; Jackson, Paul T.

    2007-01-01

    The American Chemical Society (ACS) has recently decided to incorporate various information literacy skills for teaching analytical chemistry to the students. The methodology has been found to be extremely effective, as it provides better understanding to the students.

  19. INVESTIGATING ENVIRONMENTAL SINKS OF MACROLIDE ANTIBIOTICS WITH ANALYTICAL CHEMISTRY

    EPA Science Inventory

    Possible environmental sinks (wastewater effluents, biosolids, sediments) of macrolide antibiotics (i.e., azithromycin, roxithromycin and clarithromycin)are investigated using state-of-the-art analytical chemistry techniques.

  20. Analytical chemistry methods for mixed oxide fuel, March 1985

    SciTech Connect

    Not Available

    1985-03-01

    This standard provides analytical chemistry methods for the analysis of materials used to produce mixed oxide fuel. These materials are ceramic fuel and insulator pellets and the plutonium and uranium oxides and nitrates used to fabricate these pellets.

  1. Perspective: Status and Future of Analytical Chemistry in India.

    PubMed

    Verma, Krishna K

    2017-02-07

    Relative to many other areas in chemistry, analytical chemistry appears singularly lagging behind in India despite the commendable growth it had shown in the past both in teaching and research. Certain presumptions in policy making and current educational practices are believed to be the crux of the problem.

  2. A review of opportunities for electrospun nanofibers in analytical chemistry.

    PubMed

    Chigome, Samuel; Torto, Nelson

    2011-11-07

    Challenges associated with analyte and matrix complexities and the ever increasing pressure from all sectors of industry for alternative analytical devices, have necessitated the development and application of new materials in analytical chemistry. To date, nanomaterials have emerged as having excellent properties for analytical chemistry applications mainly due to their large surface area to volume ratio and the availability of a wide variety of chemical and morphological modification methods. Of the available nanofibrous material fabrication methods, electrospinning has emerged as the most versatile. It is the aim of this contribution to highlight some of the recent developments that harness the great potential shown by electrospun nanofibers for application in analytical chemistry. The review discusses the use of electrospun nanofibers as a platform for low resolution separation or as a chromatographic sorbent bed for high resolution separation. It concludes by discussing the applications of electrospun nanofibers in detection systems with a specific focus on the development of simple electrospun nanofiber based colorimetric probes.

  3. Analytical Chemistry Laboratory progress report for FY 1985

    SciTech Connect

    Green, D.W.; Heinrich, R.R.; Jensen, K.J.

    1985-12-01

    The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems, from routine standard analyses to unique problems that require significant development of methods and techniques. The purpose of this report is to summarize the technical and administrative activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1985 (October 1984 through September 1985). This is the second annual report for the ACL. 4 figs., 1 tab.

  4. Advanced Placement Chemistry: Project Advance and the Advanced Placement Program: A Comparison of Students' Performance on the AP Chemistry Examination.

    ERIC Educational Resources Information Center

    Mercurio, Joseph; And Others

    1984-01-01

    Compared performance of Syracuse University Project Advance (PA) chemistry students (N=35) with advanced placement (AP) candidates on the AP chemistry examination. PA students scored slightly above the national average on the examination, and students who performed well (B or better) in AP chemistry also did well on the examination. (JN)

  5. Teaching Analytical Chemistry with Automatic Analyzers

    ERIC Educational Resources Information Center

    Schubert, Leo

    1972-01-01

    Discusses the advantages of using automated analytical procedures in providing rapid, inexpensive alternatives to traditional methods and in teaching skills used in many professions and industry. (CP)

  6. Cyclodextrins in analytical chemistry: host-guest type molecular recognition.

    PubMed

    Szente, Lajos; Szemán, Julianna

    2013-09-03

    Cyclodextrins are utilized in many diverse fields of analytical chemistry, due to their propensity to form reversible inclusion complexes and recognize analytes selectively. This Feature shows how these nanocavities can serve analysts in sample preparation, sensitivity and selectivity improvement, enantio-separation, creating single-molecule sensors, and automatizing DNA sequencing.

  7. Gatlinburg conference: barometer of progress in analytical chemistry

    SciTech Connect

    Shults, W.D.

    1981-01-01

    Much progress has been made in the field of analytical chemistry over the past twenty-five years. The AEC-ERDA-DOE family of laboratories contributed greatly to this progress. It is not surprising then to find a close correlation between program content of past Gatlinburg conferences and developments in analytical methodology. These conferences have proved to be a barometer of technical status.

  8. Analytical Chemistry Laboratory. Progress report for FY 1996

    SciTech Connect

    Green, D.W.; Boparai, A.S.; Bowers, D.L.

    1996-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1996. This annual report is the thirteenth for the ACL. It describes effort on continuing and new projects and contributions of the ACL staff to various programs at ANL. The ACL operates in the ANL system as a full-cost-recovery service center, but has a mission that includes a complementary research and development component: The Analytical Chemistry Laboratory will provide high-quality, cost-effective chemical analysis and related technical support to solve research problems of our clients -- Argonne National Laboratory, the Department of Energy, and others -- and will conduct world-class research and development in analytical chemistry and its applications. Because of the diversity of research and development work at ANL, the ACL handles a wide range of analytical chemistry problems. Some routine or standard analyses are done, but the ACL usually works with commercial laboratories if our clients require high-volume, production-type analyses. It is common for ANL programs to generate unique problems that require significant development of methods and adaption of techniques to obtain useful analytical data. Thus, much of the support work done by the ACL is very similar to our applied analytical chemistry research.

  9. An Attenuated Total Reflectance Sensor for Copper: An Experiment for Analytical or Physical Chemistry

    ERIC Educational Resources Information Center

    Shtoyko, Tanya; Zudans, Imants; Seliskar, Carl J.; Heineman, William R.; Richardson, John N.

    2004-01-01

    A sensor experiment which can be applied to advanced undergraduate laboratory course in physical or analytical chemistry is described along with certain concepts like the demonstration of chemical sensing, preparation of thin films on a substrate, microtitration, optical determination of complex ion stoichiometry and isosbestic point. It is seen…

  10. Juicing the Juice: A Laboratory-Based Case Study for an Instrumental Analytical Chemistry Course

    ERIC Educational Resources Information Center

    Schaber, Peter M.; Dinan, Frank J.; St. Phillips, Michael; Larson, Renee; Pines, Harvey A.; Larkin, Judith E.

    2011-01-01

    A young, inexperienced Food and Drug Administration (FDA) chemist is asked to distinguish between authentic fresh orange juice and suspected reconstituted orange juice falsely labeled as fresh. In an advanced instrumental analytical chemistry application of this case, inductively coupled plasma (ICP) spectroscopy is used to distinguish between the…

  11. Analytical chemistry: Sweet solution to sensing

    NASA Astrophysics Data System (ADS)

    Sia, Samuel K.; Chin, Curtis D.

    2011-09-01

    Glucose meters allow rapid and quantitative measurement of blood sugar levels for diabetes sufferers worldwide. Now a new method allows this proven technology to be used to quantify a much wider range of analytes.

  12. Analytical Chemistry Laboratory, progress report for FY 1993

    SciTech Connect

    Not Available

    1993-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1993 (October 1992 through September 1993). This annual report is the tenth for the ACL and describes continuing effort on projects, work on new projects, and contributions of the ACL staff to various programs at ANL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. The ACL also has research programs in analytical chemistry, conducts instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems. Some routine or standard analyses are done, but it is common for the Argonne programs to generate unique problems that require development or modification of methods and adaption of techniques to obtain useful analytical data. The ACL is administratively within the Chemical Technology Division (CMT), its principal ANL client, but provides technical support for many of the technical divisions and programs at ANL. The ACL has four technical groups--Chemical Analysis, Instrumental Analysis, Organic Analysis, and Environmental Analysis--which together include about 45 technical staff members. Talents and interests of staff members cross the group lines, as do many projects within the ACL.

  13. Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

    ERIC Educational Resources Information Center

    Borman, Stuart A.

    1982-01-01

    Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

  14. Justifying instrumental techniques of analytical chemistry.

    PubMed

    Rothbart, Daniel; Kohout, Ladislav

    2003-05-01

    In this paper, we argue that the foundations of chemistry rely as much on the methods of measurement as they do on categories of chemical substance. To some degree, chemists perform the work of knowledge engineering: designing complex systems for the efficient retrieval of information. Indeed, in some cases, methods of instrumental detection move to the forefront of attention. For example, researchers are expected to deploy optimization methods designed to maximize desired signal and minimize the damaging effects of noise. But in his important contributions to the development of high-resolution NMR spectrometers, Hans Primas used stochastic methods to reveal beneficial effects of noise for characterizing physical systems, demonstrating the value of noisy signals for nonlinear physical systems in chemistry.

  15. Photoelectron Spectroscopy in Advanced Placement Chemistry

    ERIC Educational Resources Information Center

    Benigna, James

    2014-01-01

    Photoelectron spectroscopy (PES) is a new addition to the Advanced Placement (AP) Chemistry curriculum. This article explains the rationale for its inclusion, an overview of how the PES instrument records data, how the data can be analyzed, and how to include PES data in the course. Sample assessment items and analysis are included, as well as…

  16. Biochemical Applications in the Analytical Chemistry Lab

    ERIC Educational Resources Information Center

    Strong, Cynthia; Ruttencutter, Jeffrey

    2004-01-01

    An HPLC and a UV-visible spectrophotometer are identified as instruments that helps to incorporate more biologically-relevant experiments into the course, in order to increase the students understanding of selected biochemistry topics and enhances their ability to apply an analytical approach to biochemical problems. The experiment teaches…

  17. Applications of polydimethylsiloxane in analytical chemistry: a review.

    PubMed

    Seethapathy, Suresh; Górecki, Tadeusz

    2012-10-31

    Silicones have innumerable applications in many areas of life. Polydimethylsiloxane (PDMS), which belongs to the class of silicones, has been extensively used in the field of analytical chemistry owing to its favourable physicochemical properties. The use of PDMS in analytical chemistry gained importance with its application as a stationary phase in gas chromatographic separations. Since then it has been used in many sample preparation techniques such as solid phase microextraction (SPME), stir bar sorptive extraction (SBSE), thin-film extraction, permeation passive sampling, etc. Further, it is gaining importance in the manufacturing of lab-on-a-chip devices, which have revolutionized bio-analysis. Applications of devices containing PDMS and used in the field of analytical chemistry are reviewed in this paper.

  18. Bias Assessment of General Chemistry Analytes using Commutable Samples

    PubMed Central

    Koerbin, Gus; Tate, Jillian R; Ryan, Julie; Jones, Graham RD; Sikaris, Ken A; Kanowski, David; Reed, Maxine; Gill, Janice; Koumantakis, George; Yen, Tina; St John, Andrew; Hickman, Peter E; Simpson, Aaron; Graham, Peter

    2014-01-01

    Harmonisation of reference intervals for routine general chemistry analytes has been a goal for many years. Analytical bias may prevent this harmonisation. To determine if analytical bias is present when comparing methods, the use of commutable samples, or samples that have the same properties as the clinical samples routinely analysed, should be used as reference samples to eliminate the possibility of matrix effect. The use of commutable samples has improved the identification of unacceptable analytical performance in the Netherlands and Spain. The International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) has undertaken a pilot study using commutable samples in an attempt to determine not only country specific reference intervals but to make them comparable between countries. Australia and New Zealand, through the Australasian Association of Clinical Biochemists (AACB), have also undertaken an assessment of analytical bias using commutable samples and determined that of the 27 general chemistry analytes studied, 19 showed sufficiently small between method biases as to not prevent harmonisation of reference intervals. Application of evidence based approaches including the determination of analytical bias using commutable material is necessary when seeking to harmonise reference intervals. PMID:25678726

  19. Synergistic relationships between Analytical Chemistry and written standards.

    PubMed

    Valcárcel, Miguel; Lucena, Rafael

    2013-07-25

    This paper describes the mutual impact of Analytical Chemistry and several international written standards (norms and guides) related to knowledge management (CEN-CWA 14924:2004), social responsibility (ISO 26000:2010), management of occupational health and safety (OHSAS 18001/2), environmental management (ISO 14001:2004), quality management systems (ISO 9001:2008) and requirements of the competence of testing and calibration laboratories (ISO 17025:2004). The intensity of this impact, based on a two-way influence, is quite different depending on the standard considered. In any case, a new and fruitful approach to Analytical Chemistry based on these relationships can be derived.

  20. Magnetic ionic liquids in analytical chemistry: A review.

    PubMed

    Clark, Kevin D; Nacham, Omprakash; Purslow, Jeffrey A; Pierson, Stephen A; Anderson, Jared L

    2016-08-31

    Magnetic ionic liquids (MILs) have recently generated a cascade of innovative applications in numerous areas of analytical chemistry. By incorporating a paramagnetic component within the cation or anion, MILs exhibit a strong response toward external magnetic fields. Careful design of the MIL structure has yielded magnetoactive compounds with unique physicochemical properties including high magnetic moments, enhanced hydrophobicity, and the ability to solvate a broad range of molecules. The structural tunability and paramagnetic properties of MILs have enabled magnet-based technologies that can easily be added to the analytical method workflow, complement needed extraction requirements, or target specific analytes. This review highlights the application of MILs in analytical chemistry and examines the important structural features of MILs that largely influence their physicochemical and magnetic properties.

  1. Analytical Chemistry Laboratory Progress Report for FY 1994

    SciTech Connect

    Green, D.W.; Boparai, A.S.; Bowers, D.L.

    1994-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1994 (October 1993 through September 1994). This annual report is the eleventh for the ACL and describes continuing effort on projects, work on new projects, and contributions of the ACL staff to various programs at ANL. The Analytical Chemistry Laboratory is a full-cost-recovery service center, with the primary mission of providing a broad range of analytical chemistry support services to the scientific and engineering programs at ANL. The ACL also has a research program in analytical chemistry, conducts instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL handles a wide range of analytical problems. Some routine or standard analyses are done, but it is common for the Argonne programs to generate unique problems that require significant development of methods and adaption of techniques to obtain useful analytical data. The ACL has four technical groups -- Chemical Analysis, Instrumental Analysis, Organic Analysis, and Environmental Analysis -- which together include about 45 technical staff members. Talents and interests of staff members cross the group lines, as do many projects within the ACL. The Chemical Analysis Group uses wet- chemical and instrumental methods for elemental, compositional, and isotopic determinations in solid, liquid, and gaseous samples and provides specialized analytical services. Major instruments in this group include an ion chromatograph (IC), an inductively coupled plasma/atomic emission spectrometer (ICP/AES), spectrophotometers, mass spectrometers (including gas-analysis and thermal-ionization mass spectrometers), emission spectrographs, autotitrators, sulfur and carbon determinators, and a kinetic phosphorescence uranium analyzer.

  2. Using Presentation Software to Flip an Undergraduate Analytical Chemistry Course

    ERIC Educational Resources Information Center

    Fitzgerald, Neil; Li, Luisa

    2015-01-01

    An undergraduate analytical chemistry course has been adapted to a flipped course format. Course content was provided by video clips, text, graphics, audio, and simple animations organized as concept maps using the cloud-based presentation platform, Prezi. The advantages of using Prezi to present course content in a flipped course format are…

  3. An Interactive Analytical Chemistry Summer Camp for Middle School Girls

    ERIC Educational Resources Information Center

    Robbins, Mary E.; Schoenfisch, Mark H.

    2005-01-01

    A summer outreach program, which was implemented for the first time in the summer of 2004, that provided middle school girls with an opportunity to conduct college-level analytical chemistry experiments under the guidance of female graduate students is explained. The program proved beneficial to participants at each level.

  4. Active Learning Strategies in the Analytical Chemistry Classroom.

    ERIC Educational Resources Information Center

    Ross, Michael R.; Fulton, Robert B.

    1994-01-01

    Describes an analytical chemistry course restructured around the use of cooperative groups to help students become active learners in a non-competitive environment. Five years of experience with the course indicates that the syllabus covers almost exactly the same content as old courses and that test scores compare favorably on the national level.…

  5. Analytical chemistry methods for metallic core components: Revision March 1985

    SciTech Connect

    Not Available

    1985-03-01

    This standard provides analytical chemistry methods for the analysis of alloys used to fabricate core components. These alloys are 302, 308, 316, 316-Ti, and 321 stainless steels and 600 and 718 Inconels and they may include other 300-series stainless steels.

  6. A Field Study Program in Analytical Chemistry for College Seniors.

    ERIC Educational Resources Information Center

    Langhus, D. L.; Flinchbaugh, D. A.

    1986-01-01

    Describes an elective field study program at Moravian College (Pennsylvania) in which seniors in analytical chemistry obtain first-hand experience at Bethlehem Steel Corporation. Discusses the program's planning phase, some method development projects done by students, experiences received in laboratory operations, and the evaluation of student…

  7. Analytical Chemistry Laboratory progress report for FY 1998.

    SciTech Connect

    Boparai, A. S.; Bowers, D. L.; Graczyk, D. G.; Green, D. W.; Lindahl, P. C.

    1999-03-29

    This report summarizes the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1998 (October 1997 through September 1998). This annual progress report, which is the fifteenth in this series for the ACL, describes effort on continuing projects, work on new projects, and contributions of the ACL staff to various programs at ANL.

  8. Analytical Chemistry Laboratory progress report for FY 1999

    SciTech Connect

    Green, D. W.; Boparai, A. S.; Bowers, D. L.; Graczyk, D. G.

    2000-06-15

    This report summarizes the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1999 (October 1998 through September 1999). This annual progress report, which is the sixteenth in this series for the ACL, describes effort on continuing projects, work on new projects, and contributions of the ACL staff to various programs at ANL.

  9. Spectroelectrochemical Sensing of Aqueous Iron: An Experiment for Analytical Chemistry

    ERIC Educational Resources Information Center

    Shtoyko, Tanya; Stuart, Dean; Gray, H. Neil

    2007-01-01

    We have designed a laboratory experiment to illustrate the use of spectroelectrochemical techniques for determination of aqueous iron. The experiment described in this article is applicable to an undergraduate laboratory course in analytical chemistry. Students are asked to fabricate spectroelectrochemical sensors, make electrochemical and optical…

  10. Radiation Chemistry of Advanced TALSPEAK Flowsheet

    SciTech Connect

    Mincher, Bruce; Peterman, Dean; Mcdowell, Rocklan; Olson, Lonnie; Lumetta, Gregg J.

    2013-08-28

    This report summarizes the results of initial experiments designed to understand the radiation chemistry of an Advanced TALSPEAK process for separating trivalent lanthanides form the actinides. Biphasic aerated samples were irradiated and then analyzed for post-irradiation constituent concentrations and solvent extraction distribution ratios. The effects of irradiation on the TALSPEAK and Advanced TALSPEAK solvents were similar, with very little degradation of the organic phase extractant. Decomposition products were detected, with a major product in common for both solvents. This product may be responsible for the slight increase in distribution ratios for Eu and Am with absorbed dose, however; separation factors were not greatly affected.

  11. Chemometrics tools used in analytical chemistry: an overview.

    PubMed

    Kumar, Naveen; Bansal, Ankit; Sarma, G S; Rawal, Ravindra K

    2014-06-01

    This article presents various important tools of chemometrics utilized as data evaluation tools generated by various hyphenated analytical techniques including their application since its advent to today. The work has been divided into various sections, which include various multivariate regression methods and multivariate resolution methods. Finally the last section deals with the applicability of chemometric tools in analytical chemistry. The main objective of this article is to review the chemometric methods used in analytical chemistry (qualitative/quantitative), to determine the elution sequence, classify various data sets, assess peak purity and estimate the number of chemical components. These reviewed methods further can be used for treating n-way data obtained by hyphenation of LC with multi-channel detectors. We prefer to provide a detailed view of various important methods developed with their algorithm in favor of employing and understanding them by researchers not very familiar with chemometrics.

  12. Analytical Chemistry Laboratory progress report for FY 1984

    SciTech Connect

    Green, D.W.; Heinrich, R.R.; Jensen, K.J.; Stetter, J.R.

    1985-03-01

    Technical and administrative activities of the Analytical Chemistry Laboratory (ACL) are reported for fiscal year 1984. The ACL is a full-cost-recovery service center, with the primary mission of providing a broad range of technical support services to the scientific and engineering programs at ANL. In addition, ACL conducts a research program in analytical chemistry, works on instrumental and methods development, and provides analytical services for governmental, educational, and industrial organizations. The ACL is administratively within the Chemical Technology Division, the principal user, but provides technical support for all of the technical divisions and programs at ANL. The ACL has three technical groups - Chemical Analysis, Instrumental Analysis, and Organic Analysis. Under technical activities 26 projects are briefly described. Under professional activities, a list is presented for publications and reports, oral presentations, awards and meetings attended. 6 figs., 2 tabs.

  13. Advanced Chemistry Collection, 2nd Edition

    NASA Astrophysics Data System (ADS)

    2001-11-01

    Software requirements are given in Table 3. Some programs have additional special requirements. Please see the individual program abstracts at JCE Online or the documentation included on the CD-ROM for more specific information. Table 3. General software requirements for the Advanced Chemistry Collection.

    ComputerSystemOther Software(Required by one or more programs)
    Mac OS compatibleSystem 7.6.1 or higherAcrobat Reader (included)Mathcad; Mathematica;MacMolecule2; QuickTime 4; HyperCard Player
    Windows CompatibleWindows 2000, 98, 95, NT 4Acrobat Reader (included)Mathcad; Mathematica;PCMolecule2; QuickTime 4;HyperChem; Excel

    Literature Cited

    1. General Chemistry Collection, 5th ed.; J. Chem. Educ. Software, 2001, SP16.
    2. Advanced Chemistry Collection; J. Chem. Educ. Software, 2001, SP28.

  14. Green analytical chemistry introduction to chloropropanols determination at no economic and analytical performance costs?

    PubMed

    Jędrkiewicz, Renata; Orłowski, Aleksander; Namieśnik, Jacek; Tobiszewski, Marek

    2016-01-15

    In this study we perform ranking of analytical procedures for 3-monochloropropane-1,2-diol determination in soy sauces by PROMETHEE method. Multicriteria decision analysis was performed for three different scenarios - metrological, economic and environmental, by application of different weights to decision making criteria. All three scenarios indicate capillary electrophoresis-based procedure as the most preferable. Apart from that the details of ranking results differ for these three scenarios. The second run of rankings was done for scenarios that include metrological, economic and environmental criteria only, neglecting others. These results show that green analytical chemistry-based selection correlates with economic, while there is no correlation with metrological ones. This is an implication that green analytical chemistry can be brought into laboratories without analytical performance costs and it is even supported by economic reasons.

  15. Analytical Chemistry Division annual progress report for period ending December 31, 1988

    SciTech Connect

    Not Available

    1988-05-01

    The Analytical Chemistry Division of Oak Ridge National Laboratory (ORNL) is a large and diversified organization. As such, it serves a multitude of functions for a clientele that exists both in and outside of ORNL. These functions fall into the following general categories: (1) Analytical Research, Development, and Implementation. The division maintains a program to conceptualize, investigate, develop, assess, improve, and implement advanced technology for chemical and physicochemical measurements. Emphasis is on problems and needs identified with ORNL and Department of Energy (DOE) programs; however, attention is also given to advancing the analytical sciences themselves. (2) Programmatic Research, Development, and Utilization. The division carries out a wide variety of chemical work that typically involves analytical research and/or development plus the utilization of analytical capabilities to expedite programmatic interests. (3) Technical Support. The division performs chemical and physicochemical analyses of virtually all types. The Analytical Chemistry Division is organized into four major sections, each of which may carry out any of the three types of work mentioned above. Chapters 1 through 4 of this report highlight progress within the four sections during the period January 1 to December 31, 1988. A brief discussion of the division's role in an especially important environmental program is given in Chapter 5. Information about quality assurance, safety, and training programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8.

  16. Role-Playing in Analytical Chemistry: The Alumni Speak

    NASA Astrophysics Data System (ADS)

    Jackson, Paul T.; Walters, John P.

    2000-08-01

    Cooperative learning constructs take a variety of forms. Over the last 15 years, one such pedagogical structure, role-playing, has been used in the analytical chemistry curriculum at St. Olaf College. A long-term assessment of this teaching method was conducted through use of a survey distributed to alumni graduating between 1987 and 1997. The graduates overwhelmingly indicated that the use of role-playing had a positive impact on their careers as well as their lives. Furthermore, many non-achievement learning outcomes attributed to cooperative learning experiences were reinforced through the survey response. Role-playing created an effective environment in which to develop communication and collaborative skills in addition to the technical skills that are essential to analytical chemistry. These results support continued evolutionary development of this teaching method.

  17. Analytical chemistry laboratory. Progress report for FY 1997

    SciTech Connect

    Green, D.W.; Boparai, A.S.; Bowers, D.L.

    1997-12-01

    The purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1997 (October 1996 through September 1997). This annual progress report is the fourteenth in this series for the ACL, and it describes continuing effort on projects, work on new projects, and contributions of the ACL staff to various programs at ANL.

  18. Application of Multidimensional Spectrum Analysis for Analytical Chemistry

    SciTech Connect

    Hatsukawa, Yuichi; Hayakawa, Takehito; Toh, Yosuke; Shinohara, Nobuo; Oshima, Masumi

    1999-12-31

    Feasibility of application of the multidimensional {gamma} ray spectroscopy for analytical chemistry was examined. Two reference igneous rock (JP-1, JB-1a) samples issued by the Geological Survey of Japan (GSJ) were irradiated at a research reactor with thermal neutrons, and {gamma} rays from the radioisotopes produced by neutron capture reactions were measured using a {gamma}-ray detector array. Simultaneously 27 elements were observed with no chemical separation.

  19. MAR flow mapping of Analytical Chemistry Operations (Preliminary Report)

    SciTech Connect

    Barr, Mary E.; Farish, Thomas J.

    2012-06-13

    The recently released Supplemental Directive, NA-1 SD 1027, updates the radionuclide threshold values in DOE-STD-1027-92 CN1 to reflect the use of modern parameters for dose conversion factors and breathing rates. The directive also corrects several arithmetic errors within the original standard. The result is a roughly four-fold increase in the amount of weapons-grade nuclear material allowed within a designated radiological facility. Radiological laboratory space within the recently constructed Radiological Laboratory Office and Utility Building (RLUOB) is slated to house selected analytical chemistry support activities in addition to small-scale actinide R&D activities. RLUOB is within the same facility operations envelope as TA-55. Consolidation of analytical chemistry activities to RLUOB and PF-4 offers operational efficiency improvements relative to the current pre-CMRR plans of dividing these activities between RLUOB, PF-4, and CMR. RLUOB is considered a Radiological Facility under STD-1027 - 'Facilities that do not meet or exceed Category 3 threshold criteria but still possess some amount of radioactive material may be considered Radiological Facilities.' The supplemental directive essentially increases the allowable material-at-risk (MAR) within radiological facilities from 8.4 g to 38.6 g for {sup 239}Pu. This increase in allowable MAR provides a unique opportunity to establish additional analytical chemistry support functions in RLUOB without negatively impacting either R&D activities or facility operations. Individual radiological facilities are tasked to determine MAR limits (up to the Category 3 thresholds) appropriate to their operational conditions. This study presents parameters that impact establishing MAR limits for RLUOB and an assessment of how various analytical chemistry support functions could operate within the established MAR limits.

  20. Application of multidimensional spectrum analysis for analytical chemistry

    SciTech Connect

    Hatsukawa, Yuichi; Hayakawa, Takehito; Toh, Yosuke; Shinohara, Nobuo; Oshima, Masumi

    1999-11-16

    Feasibility of application of the multidimensional {gamma} ray spectroscopy for analytical chemistry was examined. Two reference igneous rock (JP-1, JB-1a) samples issued by the Geological Survey of Japan (GSJ) were irradiated at a research reactor with thermal neutrons, and {gamma} rays from the radioisotopes produced by neutron capture reactions were measured using a {gamma}-ray detector array. Simultaneously 27 elements were observed with no chemical separation.

  1. Chemiluminescence microarrays in analytical chemistry: a critical review.

    PubMed

    Seidel, Michael; Niessner, Reinhard

    2014-09-01

    Multi-analyte immunoassays on microarrays and on multiplex DNA microarrays have been described for quantitative analysis of small organic molecules (e.g., antibiotics, drugs of abuse, small molecule toxins), proteins (e.g., antibodies or protein toxins), and microorganisms, viruses, and eukaryotic cells. In analytical chemistry, multi-analyte detection by use of analytical microarrays has become an innovative research topic because of the possibility of generating several sets of quantitative data for different analyte classes in a short time. Chemiluminescence (CL) microarrays are powerful tools for rapid multiplex analysis of complex matrices. A wide range of applications for CL microarrays is described in the literature dealing with analytical microarrays. The motivation for this review is to summarize the current state of CL-based analytical microarrays. Combining analysis of different compound classes on CL microarrays reduces analysis time, cost of reagents, and use of laboratory space. Applications are discussed, with examples from food safety, water safety, environmental monitoring, diagnostics, forensics, toxicology, and biosecurity. The potential and limitations of research on multiplex analysis by use of CL microarrays are discussed in this review.

  2. 78 FR 4170 - License Amendment Request for Analytical Bio-Chemistry Laboratories, Inc., Columbia, MO

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-18

    ... COMMISSION License Amendment Request for Analytical Bio-Chemistry Laboratories, Inc., Columbia, MO AGENCY... issuance of a license amendment to Materials License No. 24-13365-01 issued to Analytical Bio-Chemistry... accession numbers are: 1. Analytical Bio-Chemistry Laboratories, Inc., Licensee amendment request...

  3. Making advanced analytics work for you.

    PubMed

    Barton, Dominic; Court, David

    2012-10-01

    Senior leaders who write off the move toward big data as a lot of big talk are making, well, a big mistake. So argue McKinsey's Barton and Court, who worked with dozens of companies to figure out how to translate advanced analytics into nuts-and-bolts practices that affect daily operations on the front lines. The authors offer a useful guide for leaders and managers who want to take a deliberative approach to big data-but who also want to get started now. First, companies must identify the right data for their business, seek to acquire the information creatively from diverse sources, and secure the necessary IT support. Second, they need to build analytics models that are tightly focused on improving performance, making the models only as complex as business goals demand. Third, and most important, companies must transform their capabilities and culture so that the analytical results can be implemented from the C-suite to the front lines. That means developing simple tools that everyone in the organization can understand and teaching people why the data really matter. Embracing big data is as much about changing mind-sets as it is about crunching numbers. Executed with the right care and flexibility, this cultural shift could have payoffs that are, well, bigger than you expect.

  4. Advanced Placement Chemistry: A Feasible, Alternative Approach to Advanced Placement Chemistry Labs.

    ERIC Educational Resources Information Center

    Bergmeier, Brian D.

    1984-01-01

    Discusses two factors to consider when initiating advanced placement (AP) chemistry, namely, the quality of those teaching the program and the time necessary to teach the relevant concepts. Suggests offering laboratory sessions during evening hours as an alternative to traditional daytime arrangements for laboratory blocks. (JN)

  5. Membrane-based microextraction techniques in analytical chemistry: A review.

    PubMed

    Carasek, Eduardo; Merib, Josias

    2015-06-23

    The use of membrane-based sample preparation techniques in analytical chemistry has gained growing attention from the scientific community since the development of miniaturized sample preparation procedures in the 1990s. The use of membranes makes the microextraction procedures more stable, allowing the determination of analytes in complex and "dirty" samples. This review describes some characteristics of classical membrane-based microextraction techniques (membrane-protected solid-phase microextraction, hollow-fiber liquid-phase microextraction and hollow-fiber renewal liquid membrane) as well as some alternative configurations (thin film and electromembrane extraction) used successfully for the determination of different analytes in a large variety of matrices, some critical points regarding each technique are highlighted.

  6. On the outside looking in: redefining the role of analytical chemistry in the biosciences.

    PubMed

    Hare, Dominic J; New, Elizabeth J

    2016-07-12

    Biomedical research has moved on from the study of the structure of organs, cells and organelles. Today, the key questions that must be addressed to understand the body in health and disease are related to fundamental biochemistry: the distribution and speciation of chemicals, the regulation of chemical reactions, and the control of chemical environments. To see advances in this field, it is essential for analytical chemists to actively engage in this process, from beginning to end. In this Feature Article, we review the progress that has been made towards gaining an understanding of the chemistry of the body, while commenting on the intrinsic disconnect between new innovations in the field of analytical chemistry and practical application within the biosciences. We identify the challenges that prevent chemists from making a greater impact in this field, and highlight key steps for moving forward.

  7. Advanced analytical electron microscopy for alkali-ion batteries

    DOE PAGES

    Qian, Danna; Ma, Cheng; Meng, Ying Shirley; ...

    2015-01-01

    Lithium-ion batteries are a leading candidate for electric vehicle and smart grid applications. However, further optimizations of the energy/power density, coulombic efficiency and cycle life are still needed, and this requires a thorough understanding of the dynamic evolution of each component and their synergistic behaviors during battery operation. With the capability of resolving the structure and chemistry at an atomic resolution, advanced analytical transmission electron microscopy (AEM) is an ideal technique for this task. The present review paper focuses on recent contributions of this important technique to the fundamental understanding of the electrochemical processes of battery materials. A detailed reviewmore » of both static (ex situ) and real-time (in situ) studies will be given, and issues that still need to be addressed will be discussed.« less

  8. Advanced analytical electron microscopy for alkali-ion batteries

    SciTech Connect

    Qian, Danna; Ma, Cheng; Meng, Ying Shirley; More, Karren; Chi, Miaofang

    2015-01-01

    Lithium-ion batteries are a leading candidate for electric vehicle and smart grid applications. However, further optimizations of the energy/power density, coulombic efficiency and cycle life are still needed, and this requires a thorough understanding of the dynamic evolution of each component and their synergistic behaviors during battery operation. With the capability of resolving the structure and chemistry at an atomic resolution, advanced analytical transmission electron microscopy (AEM) is an ideal technique for this task. The present review paper focuses on recent contributions of this important technique to the fundamental understanding of the electrochemical processes of battery materials. A detailed review of both static (ex situ) and real-time (in situ) studies will be given, and issues that still need to be addressed will be discussed.

  9. Nucleic Acid i-Motif Structures in Analytical Chemistry.

    PubMed

    Alba, Joan Josep; Sadurní, Anna; Gargallo, Raimundo

    2016-09-02

    Under the appropriate experimental conditions of pH and temperature, cytosine-rich segments in DNA or RNA sequences may produce a characteristic folded structure known as an i-motif. Besides its potential role in vivo, which is still under investigation, this structure has attracted increasing interest in other fields due to its sharp, fast and reversible pH-driven conformational changes. This "on/off" switch at molecular level is being used in nanotechnology and analytical chemistry to develop nanomachines and sensors, respectively. This paper presents a review of the latest applications of this structure in the field of chemical analysis.

  10. Tunable lasers and their application in analytical chemistry

    NASA Technical Reports Server (NTRS)

    Steinfeld, J. I.

    1975-01-01

    The impact that laser techniques might have in chemical analysis is examined. Absorption, scattering, and heterodyne detection is considered. Particular emphasis is placed on the advantages of using frequency-tunable sources, and dye solution lasers are regarded as the outstanding example of this type of laser. Types of spectroscopy that can be carried out with lasers are discussed along with the ultimate sensitivity or minimum detectable concentration of molecules that can be achieved with each method. Analytical applications include laser microprobe analysis, remote sensing and instrumental methods such as laser-Raman spectroscopy, atomic absorption/fluorescence spectrometry, fluorescence assay techniques, optoacoustic spectroscopy, and polarization measurements. The application of lasers to spectroscopic methods of analysis would seem to be a rewarding field both for research in analytical chemistry and for investments in instrument manufacturing.

  11. Clinical chemistry: challenges for analytical chemistry and the nanosciences from medicine.

    PubMed

    Durner, Jürgen

    2010-02-01

    Clinical chemistry and laboratory medicine can look back over more than 150 years of eventful history. The subject encompasses all the medicinal disciplines as well as the remaining natural sciences. Clinical chemistry demonstrates how new insights from basic research in biochemical, biological, analytical chemical, engineering, and information technology can be transferred into the daily routine of medicine to improve diagnosis, therapeutic monitoring, and prevention. This Review begins with a presentation of the development of clinical chemistry. Individual steps between the drawing of blood and interpretation of laboratory data are then illustrated; here not only are pitfalls described, but so are quality control systems. The introduction of new methods and trends into medicinal analysis is explored, along with opportunities and problems associated with personalized medicine.

  12. Analytical Chemistry Division annual progress report: For period ending December 31, 1987

    SciTech Connect

    Not Available

    1988-05-01

    This report is divided into analytical spectroscopy; radioactive materials analysis; inorganic chemistry; organic chemistry; ORNL environmental programs; quality assurance, safety, and training; supplementary activities; and presentation of research results.

  13. Selectivity in analytical chemistry: two interpretations for univariate methods.

    PubMed

    Dorkó, Zsanett; Verbić, Tatjana; Horvai, George

    2015-01-01

    Selectivity is extremely important in analytical chemistry but its definition is elusive despite continued efforts by professional organizations and individual scientists. This paper shows that the existing selectivity concepts for univariate analytical methods broadly fall in two classes: selectivity concepts based on measurement error and concepts based on response surfaces (the response surface being the 3D plot of the univariate signal as a function of analyte and interferent concentration, respectively). The strengths and weaknesses of the different definitions are analyzed and contradictions between them unveiled. The error based selectivity is very general and very safe but its application to a range of samples (as opposed to a single sample) requires the knowledge of some constraint about the possible sample compositions. The selectivity concepts based on the response surface are easily applied to linear response surfaces but may lead to difficulties and counterintuitive results when applied to nonlinear response surfaces. A particular advantage of this class of selectivity is that with linear response surfaces it can provide a concentration independent measure of selectivity. In contrast, the error based selectivity concept allows only yes/no type decision about selectivity.

  14. Reflections on my career in analytical chemistry and biochemistry.

    PubMed

    Sweeley, Charles C

    2010-01-01

    My career has been focused in two major areas, analytical chemistry and biochemistry of complex lipids and glycoconjugates. Included here are the pioneering work on the gas chromatography of long-chain sphingolipid bases, carbohydrates, steroids and urinary organic acids. Mass spectrometry was utilized extensively in structural studies of sphingolipids, fatty acids, carbohydrates, steroids, urinary organic acids, polyisoprenoid alcohols, and juvenile hormone. Computer systems were developed for the acquisition and analysis of mass spectra, and were used for development of automated metabolic profiling of complex mixtures of metabolites. Fabry's disease was discovered to be a glycosphingolipidosis. Enzymes of lysosomal metabolism of glycosphingolipids were purified, characterized, and used in one of the first demonstrations of the feasibility of enzyme replacement therapy in a lysosomal storage disorder (Fabry's disease). Extracellular sialidases were studied to evaluate the hypothesis that they might be involved in the regulation of membrane growth factor receptors. The enzyme for hematoside synthesis was purified and characterized.

  15. Beginning an Advanced Placement Chemistry Course, Edition Y.

    ERIC Educational Resources Information Center

    Fornoff, Frank, Comp.

    This publication is intended to aid in the planning and implementation of Advanced Placement (AP) chemistry courses. Included are reports from high schools that have established such courses concerning costs, facilities, and instructional requirements. Also included are the free-response sections of the 1974 and 1975 AP Chemistry Examination,…

  16. A New Project-Based Lab for Undergraduate Environmental and Analytical Chemistry

    ERIC Educational Resources Information Center

    Adami, Gianpiero

    2006-01-01

    A new project-based lab was developed for third year undergraduate chemistry students based on real world applications. The experience suggests that the total analytical procedure (TAP) project offers a stimulating alternative for delivering science skills and developing a greater interest for analytical chemistry and environmental sciences and…

  17. Analytical chemistry at the interface between materials science and biology

    NASA Astrophysics Data System (ADS)

    O'Brien, Janese Christine

    This work describes several research efforts that lie at the new interfaces between analytical chemistry and other disciplines, namely materials science and biology. In the materials science realm, the search for new materials that may have useful or unique chromatographic properties motivated the synthesis and characterization of electrically conductive sol-gels. In the biology realm, the search for new surface fabrication schemes that would permit or even improve the detection of specific biological reactions motivated the design of miniaturized biological arrays. Collectively, this work represents some of analytical chemistry's newest forays into these disciplines. This dissertation is divided into six chapters. Chapter 1 is an introductory chapter that provides background information pertinent to several key aspects of the work contained in this dissertation. Chapter 2 describes the synthesis and characterization of electrically conductive sol-gels derived from the acid-catalyzed hydrolysis of a vanadium alkoxide. Specifically, this chapter describes our attempts to increase the conductivity of vanadium sol-gels by optimizing the acidic and drying conditions used during synthesis. Chapter 3 reports the construction of novel antigenic immunosensing platforms of increased epitope density using Fab'-SH antibody fragments on gold. Here, X-ray photoelectron spectroscopy (XPS), thin-layer cell (TLC) and confocal fluorescence spectroscopies, and scanning force microscopy (SFM) are employed to characterize the fragment-substrate interaction, to quantify epitope density, and to demonstrate fragment viability and specificity. Chapter 4 presents a novel method for creating and interrogating double-stranded DNA (dsDNA) microarrays suitable for screening protein:dsDNA interactions. Using the restriction enzyme ECoR1, we demonstrate the ability of the atomic force microscope (AFM) to detect changes in topography that result from the enzymatic cleavage of dsDNA microarrays

  18. Advanced Organic Chemistry: Reactions and Mechanisms (by Bernard Miller)

    NASA Astrophysics Data System (ADS)

    Berger, Daniel

    1998-12-01

    Prentice Hall: Upper Saddle River, NJ, 1998. 338 pp, index. ISBN 0-13-373275-4. $59.00. Recently several short texts on intermediate organic chemistry have been published, intended for use in one-term courses for advanced undergraduates and for graduate students who need more background before taking a graduate-level course. These books fill a need not fully met by graduate-level texts such as Lowry and Richardson's Mechanism and Theory in Organic Chemistry or Carey and Sundberg's Advanced Organic Chemistry.

  19. Analytical and simulator study of advanced transport

    NASA Technical Reports Server (NTRS)

    Levison, W. H.; Rickard, W. W.

    1982-01-01

    An analytic methodology, based on the optimal-control pilot model, was demonstrated for assessing longitidunal-axis handling qualities of transport aircraft in final approach. Calibration of the methodology is largely in terms of closed-loop performance requirements, rather than specific vehicle response characteristics, and is based on a combination of published criteria, pilot preferences, physical limitations, and engineering judgment. Six longitudinal-axis approach configurations were studied covering a range of handling qualities problems, including the presence of flexible aircraft modes. The analytical procedure was used to obtain predictions of Cooper-Harper ratings, a solar quadratic performance index, and rms excursions of important system variables.

  20. The Analytical Chemistry of Drug Monitoring in Athletes

    NASA Astrophysics Data System (ADS)

    Bowers, Larry D.

    2009-07-01

    The detection and deterrence of the abuse of performance-enhancing drugs in sport are important to maintaining a level playing field among athletes and to decreasing the risk to athletes’ health. The World Anti-Doping Program consists of six documents, three of which play a role in analytical development: The World Anti-Doping Code, The List of Prohibited Substances and Methods, and The International Standard for Laboratories. Among the classes of prohibited substances, three have given rise to the most recent analytical developments in the field: anabolic agents; peptide and protein hormones; and methods to increase oxygen delivery to the tissues, including recombinant erythropoietin. Methods for anabolic agents, including designer steroids, have been enhanced through the use of liquid chromatography/tandem mass spectrometry and gas chromatography/combustion/isotope-ratio mass spectrometry. Protein and peptide identification and quantification have benefited from advances in liquid chromatography/tandem mass spectrometry. Incorporation of techniques such as flow cytometry and isoelectric focusing have supported the detection of blood doping.

  1. The analytical chemistry of drug monitoring in athletes.

    PubMed

    Bowers, Larry D

    2009-01-01

    The detection and deterrence of the abuse of performance-enhancing drugs in sport are important to maintaining a level playing field among athletes and to decreasing the risk to athletes' health. The World Anti-Doping Program consists of six documents, three of which play a role in analytical development: The World Anti-Doping Code, The List of Prohibited Substances and Methods, and The International Standard for Laboratories. Among the classes of prohibited substances, three have given rise to the most recent analytical developments in the field: anabolic agents; peptide and protein hormones; and methods to increase oxygen delivery to the tissues, including recombinant erythropoietin. Methods for anabolic agents, including designer steroids, have been enhanced through the use of liquid chromatography/tandem mass spectrometry and gas chromatography/combustion/isotope-ratio mass spectrometry. Protein and peptide identification and quantification have benefited from advances in liquid chromatography/tandem mass spectrometry. Incorporation of techniques such as flow cytometry and isoelectric focusing have supported the detection of blood doping.

  2. Computing Advances in the Teaching of Chemistry.

    ERIC Educational Resources Information Center

    Baskett, W. P.; Matthews, G. P.

    1984-01-01

    Discusses three trends in computer-oriented chemistry instruction: (1) availability of interfaces to integrate computers with experiments; (2) impact of the development of higher resolution graphics and greater memory capacity; and (3) role of videodisc technology on computer assisted instruction. Includes program listings for auto-titration and…

  3. Disruptive by design: a perspective on engineering in analytical chemistry.

    PubMed

    Herr, Amy E

    2013-08-20

    Perhaps paradoxically, we argue that the biological sciences are "data-limited". In contrast to the glut of DNA sequencing data available, high-throughput protein analysis is expensive and largely inaccessible. Hence, we posit that access to robust protein-level data is inadequate. Here, we use the framework of the formal engineering design process to both identify and understand the problems facing measurement science in the 21st century. In particular, discussion centers on the notable challenge of realizing protein analyses that are as effective (and transformative) as genomics tools. This Perspective looks through the lens of a case study on protein biomarker validation and verification, to highlight the importance of iterative design in realizing significant advances over currently available measurement capabilities in the candidate or targeted proteomics space. The Perspective follows a podium presentation given by the author at The 16th International Conference on Miniaturized Systems for Chemistry and Life Sciences (μTAS 2012), specifically focusing on novel targeted proteomic measurement tools based in microfluidic design. The role of unmet needs identification, iteration in concept generation and development, and the existing gap in rapid prototyping tools for separations are all discussed.

  4. Disruptive by Design: A perspective on engineering in analytical chemistry

    PubMed Central

    Herr, Amy E.

    2013-01-01

    Perhaps paradoxically, we argue that the biological sciences are ‘data-limited’. In contrast to the glut of DNA sequencing data available, high-throughput protein analysis is expensive and largely inaccessible. Hence we posit that access to robust protein-level data is inadequate. Here we use the framework of the formal engineering design process to both identify and understand the problems facing measurement science in the 21st century. In particular, discussion centers on the notable challenge of realizing protein analyses that are as effective (and transformative) as genomics tools. This Perspective looks through the lens of a case study on protein biomarker validation and verification, to highlight the importance of iterative design in realizing significant advances over currently available measurement capabilities in the candidate or targeted proteomics space. The Perspective follows a podium presentation given by the author at The 16th International Conference on Miniaturized Systems for Chemistry and Life Sciences (μTAS 2012), specifically focusing on novel targeted proteomic measurement tools based in microfluidic design. The role of unmet needs identification, iteration in concept generation and development, and the existing gap in rapid prototyping tools for separations are all discussed. PMID:23924345

  5. Topological data analysis: A promising big data exploration tool in biology, analytical chemistry and physical chemistry.

    PubMed

    Offroy, Marc; Duponchel, Ludovic

    2016-03-03

    An important feature of experimental science is that data of various kinds is being produced at an unprecedented rate. This is mainly due to the development of new instrumental concepts and experimental methodologies. It is also clear that the nature of acquired data is significantly different. Indeed in every areas of science, data take the form of always bigger tables, where all but a few of the columns (i.e. variables) turn out to be irrelevant to the questions of interest, and further that we do not necessary know which coordinates are the interesting ones. Big data in our lab of biology, analytical chemistry or physical chemistry is a future that might be closer than any of us suppose. It is in this sense that new tools have to be developed in order to explore and valorize such data sets. Topological data analysis (TDA) is one of these. It was developed recently by topologists who discovered that topological concept could be useful for data analysis. The main objective of this paper is to answer the question why topology is well suited for the analysis of big data set in many areas and even more efficient than conventional data analysis methods. Raman analysis of single bacteria should be providing a good opportunity to demonstrate the potential of TDA for the exploration of various spectroscopic data sets considering different experimental conditions (with high noise level, with/without spectral preprocessing, with wavelength shift, with different spectral resolution, with missing data).

  6. Recent advances in analytical satellite theory

    NASA Technical Reports Server (NTRS)

    Gaposchkin, E. M.

    1978-01-01

    Recent work on analytical satellite perturbation theory has involved the completion of a revision to 4th order for zonal harmonics, the addition of a treatment for ocean tides, an extension of the treatment for the noninertial reference system, and the completion of a theory for direct solar-radiation pressure and earth-albedo pressure. Combined with a theory for tesseral-harmonics, lunisolar, and body-tide perturbations, these formulations provide a comprehensive orbit-computation program. Detailed comparisons with numerical integration and observations are presented to assess the accuracy of each theoretical development.

  7. Analytical chemistry of the citrate process for flue gas desulfurization

    SciTech Connect

    Marchant, W.N.; May, S.L.; Simpson, W.W.; Winter, J.K.; Beard, H.R.

    1980-01-01

    The citrate process for flue gas desulfurization (FGD) is a product of continuing research by the US Bureau of Mines to meet the goal of minimizing the objectionable effects of minerals industry operations upon the environment. The reduction of SO/sub 2/ in solution by H/sub 2/S to produce elemental sulfur by the citrate process is extremely complex and results in solutions that contain at least nine different sulfur species. Process solution analysis is essential to a clear understanding of process chemistry and its safe, efficient operation. The various chemical species, the approximate ranges of their concentrations in citrate process solutions, and the analytical methods evolved to determine them are hydrogen sulfide (approx. 0M to 0.06M) by specific ion electrode, polysulfides (unknown) by ultraviolet (uv) spectrophotometry, elemental sulfur (approx. 0M to approx. 0.001M dissolved, approx. 0M to approx. 0.1M suspended) by uv spectrophotometry, thiosulfate (approx. 0M to approx. 0.25M) by iodometry or high performance liquid chromatography (HPLC), polythionates (approx. 0M to approx. 0.01M) by thin layer chromatography (TLC), dithionite (searched for but not detected in process solutions) by polarography or TLC, bisulfite (approx. 0M to 0.2M) by iodometry, sulfate (approx. 0M to 1M) by a Bureau-developed gravimetric procedure, citric acid (approx. 0M to 0.5M) by titration or visible colorimetry, glycolic acid (approx. 0M to 1M) by HPLC, sodium (approx. 1.5M) by flame photometry, and chloride by argentometric titration.

  8. Analytical Protein Microarrays: Advancements Towards Clinical Applications

    PubMed Central

    Sauer, Ursula

    2017-01-01

    Protein microarrays represent a powerful technology with the potential to serve as tools for the detection of a broad range of analytes in numerous applications such as diagnostics, drug development, food safety, and environmental monitoring. Key features of analytical protein microarrays include high throughput and relatively low costs due to minimal reagent consumption, multiplexing, fast kinetics and hence measurements, and the possibility of functional integration. So far, especially fundamental studies in molecular and cell biology have been conducted using protein microarrays, while the potential for clinical, notably point-of-care applications is not yet fully utilized. The question arises what features have to be implemented and what improvements have to be made in order to fully exploit the technology. In the past we have identified various obstacles that have to be overcome in order to promote protein microarray technology in the diagnostic field. Issues that need significant improvement to make the technology more attractive for the diagnostic market are for instance: too low sensitivity and deficiency in reproducibility, inadequate analysis time, lack of high-quality antibodies and validated reagents, lack of automation and portable instruments, and cost of instruments necessary for chip production and read-out. The scope of the paper at hand is to review approaches to solve these problems. PMID:28146048

  9. Analytical Protein Microarrays: Advancements Towards Clinical Applications.

    PubMed

    Sauer, Ursula

    2017-01-29

    Protein microarrays represent a powerful technology with the potential to serve as tools for the detection of a broad range of analytes in numerous applications such as diagnostics, drug development, food safety, and environmental monitoring. Key features of analytical protein microarrays include high throughput and relatively low costs due to minimal reagent consumption, multiplexing, fast kinetics and hence measurements, and the possibility of functional integration. So far, especially fundamental studies in molecular and cell biology have been conducted using protein microarrays, while the potential for clinical, notably point-of-care applications is not yet fully utilized. The question arises what features have to be implemented and what improvements have to be made in order to fully exploit the technology. In the past we have identified various obstacles that have to be overcome in order to promote protein microarray technology in the diagnostic field. Issues that need significant improvement to make the technology more attractive for the diagnostic market are for instance: too low sensitivity and deficiency in reproducibility, inadequate analysis time, lack of high-quality antibodies and validated reagents, lack of automation and portable instruments, and cost of instruments necessary for chip production and read-out. The scope of the paper at hand is to review approaches to solve these problems.

  10. Flow chemistry meets advanced functional materials.

    PubMed

    Myers, Rebecca M; Fitzpatrick, Daniel E; Turner, Richard M; Ley, Steven V

    2014-09-22

    Flow chemistry and continuous processing techniques are beginning to have a profound impact on the production of functional materials ranging from quantum dots, nanoparticles and metal organic frameworks to polymers and dyes. These techniques provide robust procedures which not only enable accurate control of the product material's properties but they are also ideally suited to conducting experiments on scale. The modular nature of flow and continuous processing equipment rapidly facilitates reaction optimisation and variation in function of the products.

  11. Analytical Thinking, Analytical Action: Using Prelab Video Demonstrations and e-Quizzes to Improve Undergraduate Preparedness for Analytical Chemistry Practical Classes

    ERIC Educational Resources Information Center

    Jolley, Dianne F.; Wilson, Stephen R.; Kelso, Celine; O'Brien, Glennys; Mason, Claire E.

    2016-01-01

    This project utilizes visual and critical thinking approaches to develop a higher-education synergistic prelab training program for a large second-year undergraduate analytical chemistry class, directing more of the cognitive learning to the prelab phase. This enabled students to engage in more analytical thinking prior to engaging in the…

  12. The role of analytical chemistry in Niger Delta petroleum exploration: a review.

    PubMed

    Akinlua, Akinsehinwa

    2012-06-12

    Petroleum and organic matter from which the petroleum is derived are composed of organic compounds with some trace elements. These compounds give an insight into the origin, thermal maturity and paleoenvironmental history of petroleum, which are essential elements in petroleum exploration. The main tool to acquire the geochemical data is analytical techniques. Due to progress in the development of new analytical techniques, many hitherto petroleum exploration problems have been resolved. Analytical chemistry has played a significant role in the development of petroleum resources of Niger Delta. Various analytical techniques that have aided the success of petroleum exploration in the Niger Delta are discussed. The analytical techniques that have helped to understand the petroleum system of the basin are also described. Recent and emerging analytical methodologies including green analytical methods as applicable to petroleum exploration particularly Niger Delta petroleum province are discussed in this paper. Analytical chemistry is an invaluable tool in finding the Niger Delta oils.

  13. Automated Deployment of Advanced Controls and Analytics in Buildings

    NASA Astrophysics Data System (ADS)

    Pritoni, Marco

    Buildings use 40% of primary energy in the US. Recent studies show that developing energy analytics and enhancing control strategies can significantly improve their energy performance. However, the deployment of advanced control software applications has been mostly limited to academic studies. Larger-scale implementations are prevented by the significant engineering time and customization required, due to significant differences among buildings. This study demonstrates how physics-inspired data-driven models can be used to develop portable analytics and control applications for buildings. Specifically, I demonstrate application of these models in all phases of the deployment of advanced controls and analytics in buildings: in the first phase, "Site Preparation and Interface with Legacy Systems" I used models to discover or map relationships among building components, automatically gathering metadata (information about data points) necessary to run the applications. During the second phase: "Application Deployment and Commissioning", models automatically learn system parameters, used for advanced controls and analytics. In the third phase: "Continuous Monitoring and Verification" I utilized models to automatically measure the energy performance of a building that has implemented advanced control strategies. In the conclusions, I discuss future challenges and suggest potential strategies for these innovative control systems to be widely deployed in the market. This dissertation provides useful new tools in terms of procedures, algorithms, and models to facilitate the automation of deployment of advanced controls and analytics and accelerate their wide adoption in buildings.

  14. ICRPG WORKING GROUP ON ANALYTICAL CHEMISTRY ROUND ROBIN NO. 22 -- EUDIOMETRIC ANALYSIS OF POWDERED ALUMINUM,

    DTIC Science & Technology

    Analytical Chemistry voted to conduct a round robin to estimate the interlaboratory reproducibility. The round robin was designed to facilitate statistical analysis of the data. Three samples representing different purity levels as

  15. A conflict of analysis: analytical chemistry and milk adulteration in Victorian Britain.

    PubMed

    Steere-Williams, Jacob

    2014-08-01

    This article centres on a particularly intense debate within British analytical chemistry in the late nineteenth century, between local public analysts and the government chemists of the Inland Revenue Service. The two groups differed in both practical methodologies and in the interpretation of analytical findings. The most striking debates in this period were related to milk analysis, highlighted especially in Victorian courtrooms. It was in protracted court cases, such as the well known Manchester Milk Case in 1883, that analytical chemistry was performed between local public analysts and the government chemists, who were often both used as expert witnesses. Victorian courtrooms were thus important sites in the context of the uneven professionalisation of chemistry. I use this tension to highlight what Christopher Hamlin has called the defining feature of Victorian public health, namely conflicts of professional jurisdiction, which adds nuance to histories of the struggle of professionalisation and public credibility in analytical chemistry.

  16. Integration of Environmental Analytical Chemistry with Environmental Law: The Development of a Problem-Based Laboratory.

    ERIC Educational Resources Information Center

    Cancilla, Devon A.

    2001-01-01

    Introduces an undergraduate level problem-based analytical chemistry laboratory course integrated with an environmental law course. Aims to develop an understanding among students on the use of environmental indicators for environmental evaluation. (Contains 30 references.) (YDS)

  17. Chemometric classification techniques as a tool for solving problems in analytical chemistry.

    PubMed

    Bevilacqua, Marta; Nescatelli, Riccardo; Bucci, Remo; Magrì, Andrea D; Magrì, Antonio L; Marini, Federico

    2014-01-01

    Supervised pattern recognition (classification) techniques, i.e., the family of chemometric methods whose aim is the prediction of a qualitative response on a set of samples, represent a very important assortment of tools for solving problems in several areas of applied analytical chemistry. This paper describes the theory behind the chemometric classification techniques most frequently used in analytical chemistry together with some examples of their application to real-world problems.

  18. Effects of Computer Based Learning on Students' Attitudes and Achievements towards Analytical Chemistry

    ERIC Educational Resources Information Center

    Akcay, Hüsamettin; Durmaz, Asli; Tüysüz, Cengiz; Feyzioglu, Burak

    2006-01-01

    The aim of this study was to compare the effects of computer-based learning and traditional method on students' attitudes and achievement towards analytical chemistry. Students from Chemistry Education Department at Dokuz Eylul University (D.E.U) were selected randomly and divided into three groups; two experimental (Eg-1 and Eg-2) and a control…

  19. Evaluating the Effectiveness of the Chemistry Education by Using the Analytic Hierarchy Process

    ERIC Educational Resources Information Center

    Yüksel, Mehmet

    2012-01-01

    In this study, an attempt was made to develop a method of measurement and evaluation aimed at overcoming the difficulties encountered in the determination of the effectiveness of chemistry education based on the goals of chemistry education. An Analytic Hierarchy Process (AHP), which is a multi-criteria decision technique, is used in the present…

  20. 75 FR 8147 - Notice of Consideration of Amendment Request for Decommissioning of Analytical Bio-Chemistry...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-23

    ... From the Federal Register Online via the Government Publishing Office NUCLEAR REGULATORY COMMISSION Notice of Consideration of Amendment Request for Decommissioning of Analytical Bio-Chemistry...-Chemistry Laboratories, Inc. (the Licensee) pursuant to 10 CFR part 30. By application dated October...

  1. Integrating Bio-Inorganic and Analytical Chemistry into an Undergraduate Biochemistry Laboratory

    ERIC Educational Resources Information Center

    Erasmus, Daniel J.; Brewer, Sharon E.; Cinel, Bruno

    2015-01-01

    Undergraduate laboratories expose students to a wide variety of topics and techniques in a limited amount of time. This can be a challenge and lead to less exposure to concepts and activities in bio-inorganic chemistry and analytical chemistry that are closely-related to biochemistry. To address this, we incorporated a new iron determination by…

  2. Recent advances in technetium halide chemistry.

    PubMed

    Poineau, Frederic; Johnstone, Erik V; Czerwinski, Kenneth R; Sattelberger, Alfred P

    2014-02-18

    Transition metal binary halides are fundamental compounds, and the study of their structure, bonding, and other properties gives chemists a better understanding of physicochemical trends across the periodic table. One transition metal whose halide chemistry is underdeveloped is technetium, the lightest radioelement. For half a century, the halide chemistry of technetium has been defined by three compounds: TcF6, TcF5, and TcCl4. The absence of Tc binary bromides and iodides in the literature was surprising considering the existence of such compounds for all of the elements surrounding technetium. The common synthetic routes that scientists use to obtain binary halides of the neighboring elements, such as sealed tube reactions between elements and flowing gas reactions between a molecular complex and HX gas (X = Cl, Br, or I), had not been reported for technetium. In this Account, we discuss how we used these routes to revisit the halide chemistry of technetium. We report seven new phases: TcBr4, TcBr3, α/β-TcCl3, α/β-TcCl2, and TcI3. Technetium tetrachloride and tetrabromide are isostructural to PtX4 (X = Cl or Br) and consist of infinite chains of edge-sharing TcX6 octahedra. Trivalent technetium halides are isostructural to ruthenium and molybdenum (β-TcCl3, TcBr3, and TcI3) and to rhenium (α-TcCl3). Technetium tribromide and triiodide exhibit the TiI3 structure-type and consist of infinite chains of face-sharing TcX6 (X = Br or I) octahedra. Concerning the trichlorides, β-TcCl3 crystallizes with the AlCl3 structure-type and consists of infinite layers of edge-sharing TcCl6 octahedra, while α-TcCl3 consists of infinite layers of Tc3Cl9 units. Both phases of technetium dichloride exhibit new structure-types that consist of infinite chains of [Tc2Cl8] units. For the technetium binary halides, we studied the metal-metal interaction by theoretical methods and magnetic measurements. The change of the electronic configuration of the metal atom from d(3) (Tc

  3. Novel detection schemes of nuclear magnetic resonance and magnetic resonance imaging: applications from analytical chemistry to molecular sensors.

    PubMed

    Harel, Elad; Schröder, Leif; Xu, Shoujun

    2008-01-01

    Nuclear magnetic resonance (NMR) is a well-established analytical technique in chemistry. The ability to precisely control the nuclear spin interactions that give rise to the NMR phenomenon has led to revolutionary advances in fields as diverse as protein structure determination and medical diagnosis. Here, we discuss methods for increasing the sensitivity of magnetic resonance experiments, moving away from the paradigm of traditional NMR by separating the encoding and detection steps of the experiment. This added flexibility allows for diverse applications ranging from lab-on-a-chip flow imaging and biological sensors to optical detection of magnetic resonance imaging at low magnetic fields. We aim to compare and discuss various approaches for a host of problems in material science, biology, and physics that differ from the high-field methods routinely used in analytical chemistry and medical imaging.

  4. A Multistep Synthesis for an Advanced Undergraduate Organic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Chang Ji; Peters, Dennis G.

    2006-01-01

    Multistep syntheses are often important components of the undergraduate organic laboratory experience and a three-step synthesis of 5-(2-sulfhydrylethyl) salicylaldehyde was described. The experiment is useful as a special project for an advanced undergraduate organic chemistry laboratory course and offers opportunities for students to master a…

  5. Advances in chemistry applied to forensic science.

    PubMed

    Rendle, David F

    2005-12-01

    Acts of terrorism, an increase in the use of firearms, drug abuse, the use of so-called date-rape drugs, and driving whilst under the influence of drugs, are just some of the subjects frequently in the news. In the absence of fingermarks and of material leading to the recovery of DNA, the forensic scientist has to rely upon chemical analysis of trace amounts of materials including explosives, drugs, toxicological specimens, firearms discharge residues, fibres, glass, paint, soil etc., in order to establish or eliminate links between suspect and victim and/or scene. This tutorial review describes analytical problems facing the forensic chemist, and the current methods and techniques employed to tackle them.

  6. Using Mathematical Software to Introduce Fourier Transforms in Physical Chemistry to Develop Improved Understanding of Their Applications in Analytical Chemistry

    ERIC Educational Resources Information Center

    Miller, Tierney C.; Richardson, John N.; Kegerreis, Jeb S.

    2016-01-01

    This manuscript presents an exercise that utilizes mathematical software to explore Fourier transforms in the context of model quantum mechanical systems, thus providing a deeper mathematical understanding of relevant information often introduced and treated as a "black-box" in analytical chemistry courses. The exercise is given to…

  7. Fifty years of continuous improvement: (What has DOE done for analytical chemistry?)

    SciTech Connect

    Shults, W.D.

    1993-11-01

    Over the past fifty years, analytical scientist within the DOE complex have had a tremendous impact on the field of analytical chemistry. This paper suggests six ``high impact`` research/development areas that either originated within or were brought to maturity within the DOE laboratories. ``High impact`` means they lead to new subdisciplines or to new ways of doing business.

  8. Analytical Chemistry Laboratory (ACL) procedure compendium. Volume 1, Administrative

    SciTech Connect

    Not Available

    1992-06-01

    Covered are: analytical laboratory operations (ALO) sample receipt and control, ALO data report/package preparation review and control, single shell tank (PST) project sample tracking system, sample receiving, analytical balances, duties and responsibilities of sample custodian, sample refrigerator temperature monitoring, security, assignment of staff responsibilities, sample storage, data reporting, and general requirements for glassware.

  9. Recent Applications of Carbon-Based Nanomaterials in Analytical Chemistry: Critical Review

    PubMed Central

    Scida, Karen; Stege, Patricia W.; Haby, Gabrielle; Messina, Germán A.; García, Carlos D.

    2011-01-01

    The objective of this review is to provide a broad overview of the advantages and limitations of carbon-based nanomaterials with respect to analytical chemistry. Aiming to illustrate the impact of nanomaterials on the development of novel analytical applications, developments reported in the 2005–2010 period have been included and divided into sample preparation, separation, and detection. Within each section, fullerenes, carbon nanotubes, graphene, and composite materials will be addressed specifically. Although only briefly discussed, included is a section highlighting nanomaterials with interesting catalytic properties that can be used in the design of future devices for analytical chemistry. PMID:21458626

  10. Recent applications of carbon-based nanomaterials in analytical chemistry: critical review.

    PubMed

    Scida, Karen; Stege, Patricia W; Haby, Gabrielle; Messina, Germán A; García, Carlos D

    2011-04-08

    The objective of this review is to provide a broad overview of the advantages and limitations of carbon-based nanomaterials with respect to analytical chemistry. Aiming to illustrate the impact of nanomaterials on the development of novel analytical applications, developments reported in the 2005-2010 period have been included and divided into sample preparation, separation, and detection. Within each section, fullerenes, carbon nanotubes, graphene, and composite materials will be addressed specifically. Although only briefly discussed, included is a section highlighting nanomaterials with interesting catalytic properties that can be used in the design of future devices for analytical chemistry.

  11. Analytical Chemistry for Homeland Defense and National Security

    SciTech Connect

    S.Randolph Long; Dan rock; Gary Eiceman; Chris Rowe Taitt; Robert J.Cotter; Dean D.Fetterolf; David R.Walt; Basil I. Swanson; Scott A McLuckey; Robin L.Garrell; Scott D. Cunningham

    2002-08-18

    The budget was requested to support speaker expenses to attend and speak in the day long symposium at the ACS meeting. The purpose of the symposium was to encourage analytical chemists to contribute to national security.

  12. Analytical Pharmaceutical Chemistry--Bridging Disciplines and Interests

    ERIC Educational Resources Information Center

    Smith, Robert V.

    1977-01-01

    Because of their interest and expertise in the analysis of drugs in biological fluids, analytical pharmaceutical chemists can contribute significantly to interdisciplinary research and teaching efforts. Suggestions for such efforts are described. (Author/LBH)

  13. Recent advances in click chemistry applied to dendrimer synthesis.

    PubMed

    Arseneault, Mathieu; Wafer, Caroline; Morin, Jean-François

    2015-05-20

    Dendrimers are monodisperse polymers grown in a fractal manner from a central point. They are poised to become the cornerstone of nanoscale devices in several fields, ranging from biomedicine to light-harvesting. Technical difficulties in obtaining these molecules has slowed their transfer from academia to industry. In 2001, the arrival of the "click chemistry" concept gave the field a major boost. The flagship reaction, a modified Hüisgen cycloaddition, allowed researchers greater freedom in designing and building dendrimers. In the last five years, advances in click chemistry saw a wider use of other click reactions and a notable increase in the complexity of the reported structures. This review covers key developments in the click chemistry field applied to dendrimer synthesis from 2010 to 2015. Even though this is an expert review, basic notions and references have been included to help newcomers to the field.

  14. Oxetanes: Recent Advances in Synthesis, Reactivity, and Medicinal Chemistry.

    PubMed

    Bull, James A; Croft, Rosemary A; Davis, Owen A; Doran, Robert; Morgan, Kate F

    2016-10-12

    The four-membered oxetane ring has been increasingly exploited for its contrasting behaviors: its influence on physicochemical properties as a stable motif in medicinal chemistry and its propensity to undergo ring-opening reactions as a synthetic intermediate. These applications have driven numerous studies into the synthesis of new oxetane derivatives. This review takes an overview of the literature for the synthesis of oxetane derivatives, concentrating on advances in the last five years up to the end of 2015. These methods are clustered by strategies for preparation of the ring and further derivatization of preformed oxetane-containing building blocks. Examples of the use of oxetanes in medicinal chemistry are reported, including a collation of oxetane derivatives appearing in recent patents for medicinal chemistry applications. Finally, examples of oxetane derivatives in ring-opening and ring-expansion reactions are described.

  15. An Experiential Research-Focused Approach: Implementation in a Nonlaboratory-Based Graduate-Level Analytical Chemistry Course

    ERIC Educational Resources Information Center

    Toh, Chee-Seng

    2007-01-01

    A project is described which incorporates nonlaboratory research skills in a graduate level course on analytical chemistry. This project will help students to grasp the basic principles and concepts of modern analytical techniques and also help them develop relevant research skills in analytical chemistry.

  16. Experimental and Analytical Studies of Solar System Chemistry

    NASA Technical Reports Server (NTRS)

    Burnett, Donald S.

    2003-01-01

    The cosmochemistry research funded by this grant resulted in the publications given in the attached Publication List. The research focused in three areas: (1) Experimental studies of trace element partitioning. (2) Studies of the minor element chemistry and O isotopic compositions of MgAlO4 spinels from Ca-Al-Rich Inclusions in carbonaceous chondrite meteorites, and (3) The abundances and chemical fractionations of Th and U in chondritic meteorites.

  17. Influence of a Regular, Standardized Meal on Clinical Chemistry Analytes

    PubMed Central

    Salvagno, Gian Luca; Lippi, Giuseppe; Gelati, Matteo; Montagnana, Martina; Danese, Elisa; Picheth, Geraldo; Guidi, Gian Cesare

    2012-01-01

    Background Preanalytical variability, including biological variability and patient preparation, is an important source of variability in laboratory testing. In this study, we assessed whether a regular light meal might bias the results of routine clinical chemistry testing. Methods We studied 17 healthy volunteers who consumed light meals containing a standardized amount of carbohydrates, proteins, and lipids. We collected blood for routine clinical chemistry tests before the meal and 1, 2, and 4 hr thereafter. Results One hour after the meal, triglycerides (TG), albumin (ALB), uric acid (UA), phosphatase (ALP), Ca, Fe, and Na levels significantly increased, whereas blood urea nitrogen (BUN) and P levels decreased. TG, ALB, Ca, Na, P, and total protein (TP) levels varied significantly. Two hours after the meal, TG, ALB, Ca, Fe, and Na levels remained significantly high, whereas BUN, P, UA, and total bilirubin (BT) levels decreased. Clinically significant variations were recorded for TG, ALB, ALT, Ca, Fe, Na, P, BT, and direct bilirubin (BD) levels. Four hours after the meal, TG, ALB, Ca, Fe, Na, lactate dehydrogenase (LDH), P, Mg, and K levels significantly increased, whereas UA and BT levels decreased. Clinically significant variations were observed for TG, ALB, ALT, Ca, Na, Mg, K, C-reactive protein (CRP), AST, UA, and BT levels. Conclusions A significant variation in the clinical chemistry parameters after a regular meal shows that fasting time needs to be carefully considered when performing tests to prevent spurious results and reduce laboratory errors, especially in an emergency setting. PMID:22779065

  18. Research for the advancement of green chemistry practice: Studies in atmospheric and educational chemistry

    NASA Astrophysics Data System (ADS)

    Cullipher, Steven Gene

    Green chemistry is a philosophy of chemistry that emphasizes a decreasing dependence on limited non-renewable resources and an increasing focus on preventing pollution byproducts of the chemical industry. In short, it is the discipline of chemistry practiced through the lens of environmental stewardship. In an effort to advance the practice of green chemistry, three studies will be described that have ramifications for the practice. The first study examines the atmospheric oxidation of a hydrofluorinated ether, a third-generation CFC replacement compound with primarily unknown atmospheric degradation products. Determination of these products has the potential to impact decisions on refrigerant usage in the future. The second study examines chemistry students' development of understanding benefits-costs-risks analysis when presented with two real-world scenarios: refrigerant choice and fuel choice. By studying how benefits-costs-risks thinking develops, curricular materials and instructional approaches can be designed to better foster the development of an ability that is both necessary for green chemists and important in daily decision-making for non-chemists. The final study uses eye tracking technology to examine students' abilities to interpret molecular properties from structural information in the context of global warming. Such abilities are fundamental if chemists are to appropriately assess risks and hazards of chemistry practice.

  19. Analytical Chemistry Laboratory progress report for FY 1992

    SciTech Connect

    Green, D.W.; Heinrich, R.R.; Graczyk, D.G.; Lindahl, P.C.; Boparai, A.S.; Bass, D.A.

    1992-12-01

    The ACL activities covered IFR fuel reprocessing, corium-concrete interactions, environmental samples, wastes, WIPP support, Advanced Photon Source, H-Tc superconductors, EBWR vessel, soils, illegal drug detection, quality control, etc.

  20. Selected uses of enzymes with critical fluids in analytical chemistry.

    PubMed

    Turner, Charlotta; King, Jerry W; McKeon, Thomas

    2004-01-01

    The use of enzymes coupled with supercritical fluid (SF)-based analytical techniques, such as supercritical fluid extraction (SFE), provides a safer environment platform for the analytical chemist and reduces the use of organic solvents. Incorporation of such techniques not only reduces the use of solvent in analytical laboratories, but it can also lead to overall method simplification and time savings. In this review, some of the fundamental aspects of using enzymes in the presence of SF media are discussed, particularly the influence of extraction (reaction) pressure, temperature, and water content of the extracting fluid and/or the sample matrix. Screening of optimal conditions for conducting reactions in the presence of SF media can be readily accomplished with automated serial or parallel SFE instrumentation, including selection of the proper enzyme. Numerous examples are cited, many based on lipase-initiated conversions of lipid substrates, to form useful analytical derivatives for gas chromatography, liquid chromatography, or SF chromatography analysis. In certain cases, enzymatic-aided processing of samples can permit the coupling of the extraction, sample preparation, and final analysis steps. The derived methods/techniques find application in nutritional food analyses, assays of industrial products, and micro analyses of specific samples.

  1. Manual of analytical methods for the Industrial Hygiene Chemistry Laboratory

    SciTech Connect

    Greulich, K.A.; Gray, C.E.

    1991-08-01

    This Manual is compiled from techniques used in the Industrial Hygiene Chemistry Laboratory of Sandia National Laboratories in Albuquerque, New Mexico. The procedures are similar to those used in other laboratories devoted to industrial hygiene practices. Some of the methods are standard; some, modified to suit our needs; and still others, developed at Sandia. The authors have attempted to present all methods in a simple and concise manner but in sufficient detail to make them readily usable. It is not to be inferred that these methods are universal for any type of sample, but they have been found very reliable for the types of samples mentioned.

  2. Analytical Chemistry Division annual progress report for period ending December 31, 1985

    SciTech Connect

    Shultz, W.D.

    1986-05-01

    Progress reports are presented for the four major sections of the division: analytical spectroscopy, radioactive materials laboratories, inorganic chemistry, and organic chemistry. A brief discussion of the division's role in the Laboratory's Environmental Restoration and Facilities Upgrade is given. Information about quality assurance and safety programs is presented, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited.

  3. Analytical verifications of NGST Advanced Mirror System Demonstrators

    NASA Astrophysics Data System (ADS)

    Cummings, Ramona O.; Peters, Bruce R.; Sutherlin, Steven; Smithers, Martin E.; Robinson, James

    2002-12-01

    Ground based testing is a critical and costly part of component, assembly, and system verifications of large space telescopes. At such tests, however, with integral teamwork by planners, analysts, and test personnel, segments can be included to validate specific analytical parameters and algorithms at relatively low additional cost. This paper presents analytical verification and validation segments currently added to ambient and vacuum cryogenic testing of Advanced Mirror System Demonstrator (AMSD) assemblies for the Next Generation Space Telescope (NGST) project. The test segments for workmanship testing, cold survivability, and cold operation optical throughput are supplemented by segments for analytical verifications of structural, thermal, and optical parameters. Utilizing integrated modeling and separate materials testing, the paper continues with analyses to be performed for AMSD testing, currently slated for calendar year 2003. These segments form a well-verified portion of the integrated modeling being conducted on AMSD for NGST performance predictions.

  4. A Selection of Recent Advances in C1 Chemistry.

    PubMed

    Mesters, Carl

    2016-06-07

    This review presents a selection of recent publications related to the chemistry and catalysis of C1 molecules, including methane, methanol, carbon monoxide, and carbon dioxide. These molecules play an important role in the current supply of energy and chemicals and will likely become even more relevant because of the need to decarbonize fuels (shift from coal to natural gas) in line with CO2 capture and use to mitigate global warming, as well as a gradual shift on the supply side from crude oil to natural gas. This review includes both recent industrial developments, such as the huge increase in methanol-to-olefins-capacity build in China and the demonstration of oxidative coupling of methane, and scientific developments in these chemistries facilitated by improved capabilities in, for example, analytical tools and computational modeling.

  5. Waste minimization in analytical chemistry through innovative sample preparation techniques.

    SciTech Connect

    Smith, L. L.

    1998-05-28

    Because toxic solvents and other hazardous materials are commonly used in analytical methods, characterization procedures result in significant and costly amount of waste. We are developing alternative analytical methods in the radiological and organic areas to reduce the volume or form of the hazardous waste produced during sample analysis. For the radiological area, we have examined high-pressure, closed-vessel microwave digestion as a way to minimize waste from sample preparation operations. Heated solutions of strong mineral acids can be avoided for sample digestion by using the microwave approach. Because reactivity increases with pressure, we examined the use of less hazardous solvents to leach selected contaminants from soil for subsequent analysis. We demonstrated the feasibility of this approach by extracting plutonium from a NET reference material using citric and tartaric acids with microwave digestion. Analytical results were comparable to traditional digestion methods, while hazardous waste was reduced by a factor often. We also evaluated the suitability of other natural acids, determined the extraction performance on a wider variety of soil types, and examined the extraction efficiency of other contaminants. For the organic area, we examined ways to minimize the wastes associated with the determination of polychlorinated biphenyls (PCBs) in environmental samples. Conventional methods for analyzing semivolatile organic compounds are labor intensive and require copious amounts of hazardous solvents. For soil and sediment samples, we have a method to analyze PCBs that is based on microscale extraction using benign solvents (e.g., water or hexane). The extraction is performed at elevated temperatures in stainless steel cells containing the sample and solvent. Gas chromatography-mass spectrometry (GC/MS) was used to quantitate the analytes in the isolated extract. More recently, we developed a method utilizing solid-phase microextraction (SPME) for natural

  6. Bibliometric mapping: eight decades of analytical chemistry, with special focus on the use of mass spectrometry.

    PubMed

    Waaijer, Cathelijn J F; Palmblad, Magnus

    2015-01-01

    In this Feature we use automatic bibliometric mapping tools to visualize the history of analytical chemistry from the 1920s until the present. In particular, we have focused on the application of mass spectrometry in different fields. The analysis shows major shifts in research focus and use of mass spectrometry. We conclude by discussing the application of bibliometric mapping and visualization tools in analytical chemists' research.

  7. Analytical chemistry in water quality monitoring during manned space missions

    NASA Astrophysics Data System (ADS)

    Artemyeva, Anastasia A.

    2016-09-01

    Water quality monitoring during human spaceflights is essential. However, most of the traditional methods require sample collection with a subsequent ground analysis because of the limitations in volume, power, safety and gravity. The space missions are becoming longer-lasting; hence methods suitable for in-flight monitoring are demanded. Since 2009, water quality has been monitored in-flight with colorimetric methods allowing for detection of iodine and ionic silver. Organic compounds in water have been monitored with a second generation total organic carbon analyzer, which provides information on the amount of carbon in water at both the U.S. and Russian segments of the International Space Station since 2008. The disadvantage of this approach is the lack of compound-specific information. The recently developed methods and tools may potentially allow one to obtain in-flight a more detailed information on water quality. Namely, the microanalyzers based on potentiometric measurements were designed for online detection of chloride, potassium, nitrate ions and ammonia. The recent application of the current highly developed air quality monitoring system for water analysis was a logical step because most of the target analytes are the same in air and water. An electro-thermal vaporizer was designed, manufactured and coupled with the air quality control system. This development allowed for liberating the analytes from the aqueous matrix and further compound-specific analysis in the gas phase.

  8. Determination of Mercury in Milk by Cold Vapor Atomic Fluorescence: A Green Analytical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Armenta, Sergio; de la Guardia, Miguel

    2011-01-01

    Green analytical chemistry principles were introduced to undergraduate students in a laboratory experiment focused on determining the mercury concentration in cow and goat milk. In addition to traditional goals, such as accuracy, precision, sensitivity, and limits of detection in method selection and development, attention was paid to the…

  9. Liquid-Liquid Extraction of Insecticides from Juice: An Analytical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Radford, Samantha A.; Hunter, Ronald E., Jr.; Barr, Dana Boyd; Ryan, P. Barry

    2013-01-01

    A laboratory experiment was developed to target analytical chemistry students and to teach them about insecticides in food, sample extraction, and cleanup. Micro concentrations (sub-microgram/mL levels) of 12 insecticides spiked into apple juice samples are extracted using liquid-liquid extraction and cleaned up using either a primary-secondary…

  10. Island Explorations: Discovering Effects of Environmental Research-Based Lab Activities on Analytical Chemistry Students

    ERIC Educational Resources Information Center

    Tomasik, Janice Hall; LeCaptain, Dale; Murphy, Sarah; Martin, Mary; Knight, Rachel M.; Harke, Maureen A.; Burke, Ryan; Beck, Kara; Acevedo-Polakovich, I. David

    2014-01-01

    Motivating students in analytical chemistry can be challenging, in part because of the complexity and breadth of topics involved. Some methods that help encourage students and convey real-world relevancy of the material include incorporating environmental issues, research-based lab experiments, and service learning projects. In this paper, we…

  11. Quantitative Ultrasound-Assisted Extraction for Trace-Metal Determination: An Experiment for Analytical Chemistry

    ERIC Educational Resources Information Center

    Lavilla, Isela; Costas, Marta; Pena-Pereira, Francisco; Gil, Sandra; Bendicho, Carlos

    2011-01-01

    Ultrasound-assisted extraction (UAE) is introduced to upper-level analytical chemistry students as a simple strategy focused on sample preparation for trace-metal determination in biological tissues. Nickel extraction in seafood samples and quantification by electrothermal atomic absorption spectrometry (ETAAS) are carried out by a team of four…

  12. Incorporating Students' Self-Designed, Research-Based Analytical Chemistry Projects into the Instrumentation Curriculum

    ERIC Educational Resources Information Center

    Gao, Ruomei

    2015-01-01

    In a typical chemistry instrumentation laboratory, students learn analytical techniques through a well-developed procedure. Such an approach, however, does not engage students in a creative endeavor. To foster the intrinsic motivation of students' desire to learn, improve their confidence in self-directed learning activities and enhance their…

  13. [Analytical chemistry in works of Maria Skłodowska-Curie].

    PubMed

    Hulanicki, Adam

    2012-01-01

    Maria Skłodowska-Curie--a Nobel Prize winner in chemistry--the elements of learning of chemistry gained just by a dint of work of more than ten months in Warsaw in the Institute of Industry and Agriculture Museum. The Nobel Prize concerned a contribution to the progress of chemistry through the discovery of radium and polonium, separation of radium and study of properties of this amazing element. It was awarded for an extremely arduous work, during which the chemical reactions being the principles of analytical chemistry were realized. Unlike to a typical analytical procedure, an initial attempt here was the thousands of kilograms of uranium ore: pitchblende. The final effect was small amounts of new elements: polonium and radium. Both the knowledge and the intuition of the researcher let her have a triumph. The difficulties she experienced because the properties of the searched chemical elements could only be evaluated thanks to the knowledge on other chemical elements. A significant achievement was the determination of the samples by means of radioactivity measurement, which gave rise to radiochemical analytical methods. An extreme analytical precision was demanded in multiple processes of fractional crystallization and precipitation which finally led to the calculation of the atomic mass of radium.

  14. Student Learning and Evaluation in Analytical Chemistry Using a Problem-Oriented Approach and Portfolio Assessment

    ERIC Educational Resources Information Center

    Boyce, Mary C.; Singh, Kuki

    2008-01-01

    This paper describes a student-focused activity that promotes effective learning in analytical chemistry. Providing an environment where students were responsible for their own learning allowed them to participate at all levels from designing the problem to be addressed, planning the laboratory work to support their learning, to providing evidence…

  15. Online Video Tutorials Increase Learning of Difficult Concepts in an Undergraduate Analytical Chemistry Course

    ERIC Educational Resources Information Center

    He, Yi; Swenson, Sandra; Lents, Nathan

    2012-01-01

    Educational technology has enhanced, even revolutionized, pedagogy in many areas of higher education. This study examines the incorporation of video tutorials as a supplement to learning in an undergraduate analytical chemistry course. The concepts and problems in which students faced difficulty were first identified by assessing students'…

  16. [Recent progress on analytical chemistry and biochemistry of D-amino acids].

    PubMed

    Imai, K; Kato, M; Huang, Y; Ichihara, H; Fukushima, T; Santa, T; Homma, H

    1997-11-01

    Recent findings that D-amino acids, especially D-aspartic acid and D-serine, exist in vivo in the mammalian tissues (brain and peripheries), prompted us now to investigate their biological and pathological roles in mammals. In this review, the overview of the progress of analytical chemistry and biochemistry of D-amino acids is described.

  17. Analytical Chemistry Division annual progress report for period ending December 31, 1992

    SciTech Connect

    Shults, W.D.

    1993-04-01

    This report is divided into: Analytical spectroscopy (optical spectroscopy, organic mass spectrometry, inorganic mass spectrometry, secondary ion mass spectrometry), inorganic and radiochemistry (transuranium and activation analysis, low-level radiochemical analysis, inorganic analysis, radioactive materials analysis, special projects), organic chemistry (organic spectroscopy, separations and synthesis, special projects, organic analysis, ORNL/UT research program), operations (quality assurance/quality control, environmental protection, safety, analytical improvement, training, radiation control), education programs, supplementary activities, and presentation of research results. Tables are included for articles reviewed or refereed for periodicals, analytical service work, division manpower and financial summary, and organization chart; a glossary is also included.

  18. Exploration of Antarctic Subglacial environments: a challenge for analytical chemistry

    NASA Astrophysics Data System (ADS)

    Traversi, R.; Becagli, S.; Castellano, E.; Ghedini, C.; Marino, F.; Rugi, F.; Severi, M.; Udisti, R.

    2009-12-01

    The large number of subglacial lakes detected in the Dome C area in East Antarctica suggests that this region may be a valuable source of paleo-records essential for understanding the evolution of the Antarctic ice cap and climate changes in the last several millions years. In the framework of the Project on “Exploration and characterization of Concordia Lake, Antarctica”, supported by Italian Program for Antarctic Research (PNRA), a glaciological investigation of the Dome C “Lake District” are planned. Indeed, the glacio-chemical characterisation of the ice column over subglacial lakes will allow to evaluate the fluxes of major and trace chemical species along the ice column and in the accreted ice and, consequently, the availability of nutrients and oligo-elements for possible biological activity in the lake water and sediments. Melting and freezing at the base of the ice sheet should be able to deliver carbon and salts to the lake, as observed for the Vostok subglacial lake, which are thought to be able to support a low concentration of micro-organisms for extended periods of time. Thus, this investigation represents the first step for exploring the subglacial environments including sampling and analysis of accreted ice, lake water and sediments. In order to perform reliable analytical measurements, especially of trace chemical species, clean sub-sampling and analytical techniques are required. For this purpose, the techniques already used by the CHIMPAC laboratory (Florence University) in the framework of international Antarctic drilling Projects (EPICA - European Project for Ice Coring in Antarctica, TALDICE - TALos Dome ICE core, ANDRILL MIS - ANTarctic DRILLing McMurdo Ice Shelf) were optimised and new techniques were developed to ensure a safe sample handling. CHIMPAC laboratory has been involved since several years in the study of Antarctic continent, primarily focused on understanding the bio-geo-chemical cycles of chemical markers and the

  19. Latest Advances Towards Ras Inhibition: A Medicinal Chemistry Perspective.

    PubMed

    Sautier, Brice; Nising, Carl F; Wortmann, Lars

    2016-12-23

    Owing to their high occurrence rate across many human cancers and their lack of druggability so far, mutant forms of the signaling protein Ras are currently among the most attractive (and elusive) oncology targets. This strong appeal explains the sustained effort in the field, and the ensuing progress has rekindled optimism regarding the discovery of Ras inhibitors. In this Minireview, we discuss the most recent advances towards irreversible inhibitors, and highlight approaches to inhibitors of Ras-effector interactions that have been overshadowed by the current focus on direct Ras inhibition. At the same time, we provide a critical assessment from a medicinal chemistry perspective.

  20. The Efficacy of Problem-Based Learning in an Analytical Laboratory Course for Pre-Service Chemistry Teachers

    ERIC Educational Resources Information Center

    Yoon, Heojeong; Woo, Ae Ja; Treagust, David; Chandrasegaran, A. L.

    2014-01-01

    The efficacy of problem-based learning (PBL) in an analytical chemistry laboratory course was studied using a programme that was designed and implemented with 20 students in a treatment group over 10 weeks. Data from 26 students in a traditional analytical chemistry laboratory course were used for comparison. Differences in the creative thinking…

  1. Increasing Efficiency and Quality by Consolidation of Clinical Chemistry and Immunochemistry Systems with MODULAR ANALYTICS SWA

    PubMed Central

    Mocarelli, Paolo; Horowitz, Gary L.; Gerthoux, Pier Mario; Cecere, Rossana; Imdahl, Roland; Ruinemans-Koerts, Janneke; Luthe, Hilmar; Calatayud, Silvia Pesudo; Salve, Marie Luisa; Kunst, Albert; McGovern, Margaret; Ng, Katherine; Stockmann, Wolfgang

    2008-01-01

    MODULAR ANALYTICS Serum Work Area (in USA Integrated MODULAR ANALYTICS, MODULAR ANALYTICS is a trademark of a member of the Roche Group) represents a further approach to automation in the laboratory medicine. This instrument combines previously introduced modular systems for the clinical chemistry and immunochemistry laboratory and allows customised combinations for various laboratory workloads. Functionality, practicability, and workflow behaviour of MODULAR ANALYTICS Serum Work Area were evaluated in an international multicenter study at six laboratories. Across all experiments, 236000 results from 32400 samples were generated using 93 methods. Simulated routine testing which included provocation incidents and anomalous situations demonstrated good performance and full functionality. Heterogeneous immunoassays, performed on the E-module with the electrochemiluminescence technology, showed reproducibility at the same level of the general chemistry tests, which was well within the clinical demands. Sample carryover cannot occur due to intelligent sample processing. Workflow experiments for the various module combinations, with menus of about 50 assays, yielded mean sample processing times of <38 minutes for combined clinical chemistry and immunochemistry requests; <50 minutes including automatically repeated samples. MODULAR ANALYTICS Serum Work Area offered simplified workflow by combining various laboratory segments. It increased efficiency while maintaining or even improving quality of laboratory processes. PMID:18401449

  2. Priority survey between indicators and analytic hierarchy process analysis for green chemistry technology assessment

    PubMed Central

    Kim, Sungjune; Hong, Seokpyo; Ahn, Kilsoo; Gong, Sungyong

    2015-01-01

    Objectives This study presents the indicators and proxy variables for the quantitative assessment of green chemistry technologies and evaluates the relative importance of each assessment element by consulting experts from the fields of ecology, chemistry, safety, and public health. Methods The results collected were subjected to an analytic hierarchy process to obtain the weights of the indicators and the proxy variables. Results These weights may prove useful in avoiding having to resort to qualitative means in absence of weights between indicators when integrating the results of quantitative assessment by indicator. Conclusions This study points to the limitations of current quantitative assessment techniques for green chemistry technologies and seeks to present the future direction for quantitative assessment of green chemistry technologies. PMID:26206364

  3. Hard Cap Espresso Machines in Analytical Chemistry: What Else?

    PubMed

    Armenta, Sergio; de la Guardia, Miguel; Esteve-Turrillas, Francesc A

    2016-06-21

    A hard cap espresso machine has been used in combination with liquid chromatography with molecular fluorescence detection for the determination of polycyclic aromatic hydrocarbons (PAHs) from contaminated soils and sediments providing appropriate extraction efficiencies and quantitative results. Naphthalene, acenaphthene, fluorene, phenanthrene, anthracene, fluoranthene, pyrene, benz[a]anthracene, chrysene, benz[b]fluoranthene, benz[k]fluoranthene, benz[a]pyrene, dibenz[a,h]anthracene, benz[ghi]perylene, and indeno[1,2,3-cd]pyrene were used as target compounds. It should be mentioned that the pairs benz[a]anthracene-chrysene and dibenz[a,h]anthracene-benz[ghi]perylene peaks coelute under the employed chromatographic conditions; thus, those compounds were determined together. PAHs were extracted from 5.0 g of soil, previously homogenized, freeze-dried, and sieved to 250 μm, with 50 mL of 40% (v/v) acetonitrile in water at a temperature of 72 ± 3 °C. The proposed procedure is really fast, with an extraction time of 11 s, and it reduces the required amount of organic solvent to do the sample preparation. The obtained limit of detection for the evaluated PAHs was from 1 to 38 μg kg(-1). Recoveries were calculated using clean soils spiked with 100, 500, 1000, and 2000 μg kg(-1) PAHs with values ranging from 81 to 121% and good precision with relative standard deviation values lower than 30%. The method was validated using soil and sediment certified reference materials and also using real samples by comparison with ultrasound-assisted extraction, as reference methodology, obtaining statistically comparable results. Thus, the use of hard cap espresso machines in the analytical laboratories offers tremendous possibilities as low cost extraction units for the extraction of solid samples.

  4. Analytical Chemistry (edited by R. Kellner, J.- M. Mermet, M. Otto, and H. M. Widmer)

    NASA Astrophysics Data System (ADS)

    Thompson, Reviewed By Robert Q.

    2000-04-01

    This text, written in English, was developed by the Division of Analytical Chemistry of the Federation of European Chemical Societies to support the university-level Eurocurriculum in analytical chemistry, a major effort of academics and other analytical scientists throughout Europe and an outgrowth of the economic unification of European countries. The goal of a uniform curriculum and text for analytical chemistry across national borders is laudable, and the editors, led by the late Robert Kellner, deserve commendation for their accomplishments. (The U.S., in contrast, has been late in considering the analytical chemistry curriculum and only recently has published a pamphlet, Curricular Developments in the Analytical Sciences, an outgrowth of several NSF-sponsored workshops.) I can't remember another analytical text that begins with mention of the "big bang" and the beginnings of the universe (!), but I don't believe that the authors and publisher are looking to export their curriculum to neighboring planets. However, I am sure that they are interested in the North American market and its strong analytical chemistry community. It is in this context and in comparison with leading analytical texts in the U.S. that I write this review. At first glance, Analytical Chemistry overwhelms. It is a large book of more than 900 pages, a mass of 2.3 kg, and a volume of nearly 3 L. It is not a book that is easy to stuff into a backpack for the trip to class or lab. Students also may resent paying top dollar for a book that might not last the semester, given that the pages of my review copy began to pull away from the binding after only a few days of gentle use. Beneath the snazzy cover there is a dearth of color printing and photographs. This, combined with a smallish font and figures that are inconsistent in size, quality, and font, makes for a book that is not especially easy on the eyes. The large margins provide ample space for the numerous figures, figure captions, and

  5. Integrating bio-inorganic and analytical chemistry into an undergraduate biochemistry laboratory.

    PubMed

    Erasmus, Daniel J; Brewer, Sharon E; Cinel, Bruno

    2015-01-01

    Undergraduate laboratories expose students to a wide variety of topics and techniques in a limited amount of time. This can be a challenge and lead to less exposure to concepts and activities in bio-inorganic chemistry and analytical chemistry that are closely-related to biochemistry. To address this, we incorporated a new iron determination by atomic absorption spectroscopy exercise as part of a five-week long laboratory-based project on the purification of myoglobin from beef. Students were required to prepare samples for chemical analysis, operate an atomic absorption spectrophotometer, critically evaluate their iron data, and integrate these data into a study of myoglobin.

  6. Insights from advanced analytics at the Veterans Health Administration.

    PubMed

    Fihn, Stephan D; Francis, Joseph; Clancy, Carolyn; Nielson, Christopher; Nelson, Karin; Rumsfeld, John; Cullen, Theresa; Bates, Jack; Graham, Gail L

    2014-07-01

    Health care has lagged behind other industries in its use of advanced analytics. The Veterans Health Administration (VHA) has three decades of experience collecting data about the veterans it serves nationwide through locally developed information systems that use a common electronic health record. In 2006 the VHA began to build its Corporate Data Warehouse, a repository for patient-level data aggregated from across the VHA's national health system. This article provides a high-level overview of the VHA's evolution toward "big data," defined as the rapid evolution of applying advanced tools and approaches to large, complex, and rapidly changing data sets. It illustrates how advanced analysis is already supporting the VHA's activities, which range from routine clinical care of individual patients--for example, monitoring medication administration and predicting risk of adverse outcomes--to evaluating a systemwide initiative to bring the principles of the patient-centered medical home to all veterans. The article also shares some of the challenges, concerns, insights, and responses that have emerged along the way, such as the need to smoothly integrate new functions into clinical workflow. While the VHA is unique in many ways, its experience may offer important insights for other health care systems nationwide as they venture into the realm of big data.

  7. Analytical Chemistry Division. Annual progress report for period ending December 31, 1981

    SciTech Connect

    Lyon, W. S.

    1982-04-01

    The functions of the Analytical Chemistry Division fall into three general categories: (1) analytical research, development, and implementation; (2) programmatic research, development and utilization; (3) technical support. The Division is organized into five major sections each of which may carry out any type of work falling into the thre categories mentioned above. Chapters 1 through 5 of this report highlight progress within the five sections which are: analytical methodology; mass and emission spectrometry; analytical technical support; bio/organic analysis section; and nuclear and radiochemical analysis. A short summary introduces each chapter to indicate work scope. Information about quality assurance and safety programs is presented in Chapter 6, along with a tabulation of analyses rendered. Chapter 7 covers supplementary activities. Chapter 8 is on presentation of research results (publications, articles reviewed or referred for periodicals). Approximately 56 articles, 31 proceedings publications and 33 reports have been published, and 119 oral presentations given during this reporting period.

  8. 75 years of the Division of Analytical Chemistry of the American Chemical Society.

    PubMed

    Hirsch, Roland F

    2013-04-02

    The Division of Analytical Chemistry is celebrating the 75th anniversary of its founding in 1938. We celebrate the continuing high importance of our discipline for all aspects of chemical science and for its applications in so many aspects of everyday life. We especially celebrate the accomplishments of our fellow analytical chemists through the years, and the impact we have had on the profession. This article is a short history of the Division within the context of the parallel development of our profession and our science.

  9. Quality Assurance Baseline Assessment Report to Los Alamos National Laboratory Analytical Chemistry Operations

    SciTech Connect

    Jordan, R. A.

    1998-09-01

    This report summarizes observations that were made during a Quality Assurance (QA) Baseline Assessment of the Nuclear Materials Technology Analytical Chemistry Group (NMT-1). The Quality and Planning personnel, for NMT-1, are spending a significant amount of time transitioning out of their roles of environmental oversight into production oversight. A team from the Idaho National Engineering and Environmental Laboratory Defense Program Environmental Surety Program performed an assessment of the current status of the QA Program. Several Los Alamos National Laboratory Analytical Chemistry procedures were reviewed, as well as Transuranic Waste Characterization Program (TWCP) QA documents. Checklists were developed and the assessment was performed according to an Implementation Work Plan, INEEL/EXT-98-00740.

  10. Analytical Chemistry with Silica Sol-Gels: Traditional Routes to New Materials for Chemical Analysis

    NASA Astrophysics Data System (ADS)

    Walcarius, Alain; Collinson, Maryanne M.

    2009-07-01

    The versatility of sol-gel chemistry enables us to generate a wide range of silica and organosilica materials with controlled structure, composition, morphology and porosity. These materials’ hosting and recognition properties, as well as their wide-open structures containing many easily accessible active sites, make them particularly attractive for analytical purposes. In this review, we summarize the importance of silica sol-gels in analytical chemistry by providing examples from the separation sciences, optical and electrochemical sensors, molecular imprinting, and biosensors. Recent work suggests that manipulating the structure and composition of these materials at different scales (from molecular to macromolecular states and/or from micro- to meso- and/or macroporous levels) promises to generate chemical and biochemical sensing devices with improved selectivity and sensitivity.

  11. Advances in the biology and chemistry of sialic acids.

    PubMed

    Chen, Xi; Varki, Ajit

    2010-02-19

    Sialic acids are a subset of nonulosonic acids, which are nine-carbon alpha-keto aldonic acids. Natural existing sialic acid-containing structures are presented in different sialic acid forms, various sialyl linkages, and on diverse underlying glycans. They play important roles in biological, pathological, and immunological processes. Sialobiology has been a challenging and yet attractive research area. Recent advances in chemical and chemoenzymatic synthesis, as well as large-scale E. coli cell-based production, have provided a large library of sialoside standards and derivatives in amounts sufficient for structure-activity relationship studies. Sialoglycan microarrays provide an efficient platform for quick identification of preferred ligands for sialic acid-binding proteins. Future research on sialic acid will continue to be at the interface of chemistry and biology. Research efforts not only will lead to a better understanding of the biological and pathological importance of sialic acids and their diversity but also could lead to the development of therapeutics.

  12. Adapting Advanced Inorganic Chemistry Lecture and Laboratory Instruction for a Legally Blind Student

    ERIC Educational Resources Information Center

    Miecznikowski, John R.; Guberman-Pfeffer, Matthew J.; Butrick, Elizabeth E.; Colangelo, Julie A.; Donaruma, Cristine E.

    2015-01-01

    In this article, the strategies and techniques used to successfully teach advanced inorganic chemistry, in the lecture and laboratory, to a legally blind student are described. At Fairfield University, these separate courses, which have a physical chemistry corequisite or a prerequisite, are taught for junior and senior chemistry and biochemistry…

  13. A Validity Study of the Multiple-Choice Component of the Advanced Placement Chemistry Examination.

    ERIC Educational Resources Information Center

    Modu, Christopher C.; Taft, Hessy L.

    1982-01-01

    Compares performance of first-year general chemistry college students from 32 institutions with performance of Advanced Placement (AP) Chemistry Candidates in 1978 to provide a concurrent validity measure of the multiple-choice section of the AP chemistry examination. Average AP candidates scored significantly higher than average college students.…

  14. Analytic investigation of advancing blade drag reduction by tip modifications

    NASA Technical Reports Server (NTRS)

    Tauber, M. E.

    1978-01-01

    Analytic techniques were applied to study the effect on the performance of the nonlifting advancing blade when the outboard 5% of the blade is modified to reduce drag. The tip modifications studied consisted of reducing airfoil thickness, sweepback, and planform taper. The reductions in instantaneous drag and torque were calculated for tip speed ratios from about 0.19 to 0.30, corresponding to advancing blade tip Mach numbers of 0.855 to 0.936, respectively. Approximations required in the analysis introduce uncertainties into the computed absolute values of drag and torque; however, the differences in the quantities should be a fairly reliable measure of the effect of changing tip geometry. For example, at the highest tip speed, instantaneous drag, and torque were reduced by 20% and 24%, respectively, for tip sweep of 40 deg on a blade using an NACA 0010 airfoil and by comparable amounts for 30-deg sweep on a blade having an NACA 0012 airfoil section. The present method should prove to be a useful, inexpensive technique for identifying promising configurations for additional study and testing.

  15. Sampling Mars: Analytical requirements and work to do in advance

    NASA Technical Reports Server (NTRS)

    Koeberl, Christian

    1988-01-01

    Sending a mission to Mars to collect samples and return them to the Earth for analysis is without doubt one of the most exciting and important tasks for planetary science in the near future. Many scientifically important questions are associated with the knowledge of the composition and structure of Martian samples. Amongst the most exciting questions is the clarification of the SNC problem- to prove or disprove a possible Martian origin of these meteorites. Since SNC meteorites have been used to infer the chemistry of the planet Mars, and its evolution (including the accretion history), it would be important to know if the whole story is true. But before addressing possible scientific results, we have to deal with the analytical requirements, and with possible pre-return work. It is unlikely to expect that a possible Mars sample return mission will bring back anything close to the amount returned by the Apollo missions. It will be more like the amount returned by the Luna missions, or at least in that order of magnitude. This requires very careful sample selection, and very precise analytical techniques. These techniques should be able to use minimal sample sizes and on the other hand optimize the scientific output. The possibility to work with extremely small samples should not obstruct another problem: possible sampling errors. As we know from terrestrial geochemical studies, sampling procedures are quite complicated and elaborate to ensure avoiding sampling errors. The significance of analyzing a milligram or submilligram sized sample and putting that in relationship with the genesis of whole planetary crusts has to be viewed with care. This leaves a dilemma on one hand, to minimize the sample size as far as possible in order to have the possibility of returning as many different samples as possible, and on the other hand to take a sample large enough to be representative. Whole rock samples are very useful, but should not exceed the 20 to 50 g range, except in

  16. Recent developments and future trends in solid phase microextraction techniques towards green analytical chemistry.

    PubMed

    Spietelun, Agata; Marcinkowski, Łukasz; de la Guardia, Miguel; Namieśnik, Jacek

    2013-12-20

    Solid phase microextraction find increasing applications in the sample preparation step before chromatographic determination of analytes in samples with a complex composition. These techniques allow for integrating several operations, such as sample collection, extraction, analyte enrichment above the detection limit of a given measuring instrument and the isolation of analytes from sample matrix. In this work the information about novel methodological and instrumental solutions in relation to different variants of solid phase extraction techniques, solid-phase microextraction (SPME), stir bar sorptive extraction (SBSE) and magnetic solid phase extraction (MSPE) is presented, including practical applications of these techniques and a critical discussion about their advantages and disadvantages. The proposed solutions fulfill the requirements resulting from the concept of sustainable development, and specifically from the implementation of green chemistry principles in analytical laboratories. Therefore, particular attention was paid to the description of possible uses of novel, selective stationary phases in extraction techniques, inter alia, polymeric ionic liquids, carbon nanotubes, and silica- and carbon-based sorbents. The methodological solutions, together with properly matched sampling devices for collecting analytes from samples with varying matrix composition, enable us to reduce the number of errors during the sample preparation prior to chromatographic analysis as well as to limit the negative impact of this analytical step on the natural environment and the health of laboratory employees.

  17. Fitting It All In: Adapting a Green Chemistry Extraction Experiment for Inclusion in an Undergraduate Analytical Laboratory

    ERIC Educational Resources Information Center

    Buckley, Heather L.; Beck, Annelise R.; Mulvihill, Martin J.; Douskey, Michelle C.

    2013-01-01

    Several principles of green chemistry are introduced through this experiment designed for use in the undergraduate analytical chemistry laboratory. An established experiment of liquid CO2 extraction of D-limonene has been adapted to include a quantitative analysis by gas chromatography. This facilitates drop-in incorporation of an exciting…

  18. Integration of Environmental Analytical Chemistry with Environmental Law: The Development of a Problem-Based Laboratory

    NASA Astrophysics Data System (ADS)

    Cancilla, Devon A.

    2001-12-01

    Environmental chemists face difficult challenges related to generating, interpreting, and communicating complex chemical data in a manner understandable by nonchemists. For this reason, it is essential that environmental chemistry students develop the skills necessary not only to collect and interpret complex data sets, but also to communicate their findings in a credible manner in nonscientific forums. Key to this requirement is an understanding of the quality assurance/quality control (QA/QC) elements used to support specific findings. This paper describes the development of a problem-based undergraduate environmental analytical chemistry laboratory and its integration with an undergraduate environmental law course. The course is designed to introduce students to the principles of performance-based analytical methods and the use of environmental indicators to perform environmental assessments. Conducting a series of chemical and toxicological tests, chemistry students perform an environmental assessment on the watershed of the mythical City of Rowan. Law students use these assessments to develop legal arguments under both the Safe Drinking Water Act and the Clean Water Act.

  19. Advanced analytical facilities report of the planetary materials and geochemistry working group

    NASA Technical Reports Server (NTRS)

    1988-01-01

    The role of advanced analytical facilities; upgrading/replacement of the existing facilities; the relationship of advanced facilities to the present program; and possible facilities are examined. Major conclusions and recommendations are presented.

  20. Redox chemistry and natural organic matter (NOM): Geochemists' dream, analytical chemists' nightmare

    USGS Publications Warehouse

    Macalady, Donald L.; Walton-Day, Katherine

    2011-01-01

    Natural organic matter (NOM) is an inherently complex mixture of polyfunctional organic molecules. Because of their universality and chemical reversibility, oxidation/reductions (redox) reactions of NOM have an especially interesting and important role in geochemistry. Variabilities in NOM composition and chemistry make studies of its redox chemistry particularly challenging, and details of NOM-mediated redox reactions are only partially understood. This is in large part due to the analytical difficulties associated with NOM characterization and the wide range of reagents and experimental systems used to study NOM redox reactions. This chapter provides a summary of the ongoing efforts to provide a coherent comprehension of aqueous redox chemistry involving NOM and of techniques for chemical characterization of NOM. It also describes some attempts to confirm the roles of different structural moieties in redox reactions. In addition, we discuss some of the operational parameters used to describe NOM redox capacities and redox states, and describe nomenclature of NOM redox chemistry. Several relatively facile experimental methods applicable to predictions of the NOM redox activity and redox states of NOM samples are discussed, with special attention to the proposed use of fluorescence spectroscopy to predict relevant redox characteristics of NOM samples.

  1. Analytical Chemistry Division annual progress report for period ending December 31, 1989

    SciTech Connect

    Not Available

    1990-04-01

    The Analytical Chemistry Division of Oak Ridge National Laboratory (ORNL) is a large and diversified organization. As such, it serves a multitude of functions for a clientele that exists both in and outside of ORNL. These functions fall into the following general categories: Analytical Research, Development and Implementation; Programmatic Research, Development, and Utilization; and Technical Support. The Analytical Chemistry Division is organized into four major sections, each which may carry out any of the three types of work mentioned above. Chapters 1 through 4 of this report highlight progress within the four sections during the period January 1 to December 31, 1989. A brief discussion of the division's role in an especially important environmental program is given in Chapter 5. Information about quality assurance, safety, and training programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8. Approximately 69 articles, 41 proceedings, and 31 reports were published, and 151 oral presentations were given during this reporting period. Some 308,981 determinations were performed.

  2. Experimental and analytical studies of advanced air cushion landing systems

    NASA Technical Reports Server (NTRS)

    Lee, E. G. S.; Boghani, A. B.; Captain, K. M.; Rutishauser, H. J.; Farley, H. L.; Fish, R. B.; Jeffcoat, R. L.

    1981-01-01

    Several concepts are developed for air cushion landing systems (ACLS) which have the potential for improving performance characteristics (roll stiffness, heave damping, and trunk flutter), and reducing fabrication cost and complexity. After an initial screening, the following five concepts were evaluated in detail: damped trunk, filled trunk, compartmented trunk, segmented trunk, and roll feedback control. The evaluation was based on tests performed on scale models. An ACLS dynamic simulation developed earlier is updated so that it can be used to predict the performance of full-scale ACLS incorporating these refinements. The simulation was validated through scale-model tests. A full-scale ACLS based on the segmented trunk concept was fabricated and installed on the NASA ACLS test vehicle, where it is used to support advanced system development. A geometrically-scaled model (one third full scale) of the NASA test vehicle was fabricated and tested. This model, evaluated by means of a series of static and dynamic tests, is used to investigate scaling relationships between reduced and full-scale models. The analytical model developed earlier is applied to simulate both the one third scale and the full scale response.

  3. Ubiquitous trisulfur radical anion: fundamentals and applications in materials science, electrochemistry, analytical chemistry and geochemistry.

    PubMed

    Chivers, Tristram; Elder, Philip J W

    2013-07-21

    The trisulfur radical anion [S3]˙(-) is well-known from inorganic chemistry textbooks as the blue chromophore in ultramarine blues in which this highly reactive species is trapped in a zeolitic framework. Recent findings have revealed that [S3]˙(-) has a multi-faceted role in a variety of media, including alkali metal-sulfur batteries, aqueous solutions at high temperatures and pressures, and ionic liquids; it has also been used to detect trace amounts of water in organic solvents. This tutorial review illustrates how various physical techniques are used to identify a reactive species in solution and shows how elucidation of electronic structures can be used to explain spectroscopic and structural properties. Examples of the function of [S3]˙(-) in materials science, electrochemistry, analytical chemistry and geochemistry are used to illustrate the widespread influence of this fundamentally important triatomic sulfur species.

  4. Modern advances in heterocyclic chemistry in drug discovery.

    PubMed

    Taylor, Alexandria P; Robinson, Ralph P; Fobian, Yvette M; Blakemore, David C; Jones, Lyn H; Fadeyi, Olugbeminiyi

    2016-07-12

    New advances in synthetic methodologies that allow rapid access to a wide variety of functionalized heterocyclic compounds are of critical importance to the medicinal chemist as it provides the ability to expand the available drug-like chemical space and drive more efficient delivery of drug discovery programs. Furthermore, the development of robust synthetic routes that can readily generate bulk quantities of a desired compound help to accelerate the drug development process. While established synthetic methodologies are commonly utilized during the course of a drug discovery program, the development of innovative heterocyclic syntheses that allow for different bond forming strategies are having a significant impact in the pharmaceutical industry. This review will focus on recent applications of new methodologies in C-H activation, photoredox chemistry, borrowing hydrogen catalysis, multicomponent reactions, regio- and stereoselective syntheses, as well as other new, innovative general syntheses for the formation and functionalization of heterocycles that have helped drive project delivery. Additionally, the importance and value of collaborations between industry and academia in shaping the development of innovative synthetic approaches to functionalized heterocycles that are of greatest interest to the pharmaceutical industry will be highlighted.

  5. Advances in the Biology and Chemistry of Sialic Acids

    PubMed Central

    Chen, Xi; Varki, Ajit

    2010-01-01

    Sialic acids are a subset of nonulosonic acids, which are nine-carbon alpha-keto aldonic acids. Natural existing sialic acid-containing structures are presented in different sialic acid forms, various sialyl linkages, and on diverse underlying glycans. They play important roles in biological, pathological, and immunological processes. Sialobiology has been a challenging and yet attractive research area. Recent advances in chemical and chemoenzymatic synthesis as well as large-scale E. coli cell-based production have provided a large library of sialoside standards and derivatives in amounts sufficient for structure-activity relationship studies. Sialoglycan microarrays provide an efficient platform for quick identification of preferred ligands for sialic acid-binding proteins. Future research on sialic acid will continue to be at the interface of chemistry and biology. Research efforts will not only lead to a better understanding of the biological and pathological importance of sialic acids and their diversity, but could also lead to the development of therapeutics. PMID:20020717

  6. Graphene-based materials: fabrication and application for adsorption in analytical chemistry.

    PubMed

    Wang, Xin; Liu, Bo; Lu, Qipeng; Qu, Qishu

    2014-10-03

    Graphene, a single layer of carbon atoms densely packed into a honeycomb crystal lattice with unique electronic, chemical, and mechanical properties, is the 2D allotrope of carbon. Owing to the remarkable properties, graphene and graphene-based materials are likely to find potential applications as a sorbent in analytical chemistry. The current review focuses predominantly on the recent development of graphene-based materials and demonstrates their enhanced performance in adsorption of organic compounds, metal ions, and solid phase extraction as well as in separation science since mostly 2012.

  7. Portable microwave assisted extraction: An original concept for green analytical chemistry.

    PubMed

    Perino, Sandrine; Petitcolas, Emmanuel; de la Guardia, Miguel; Chemat, Farid

    2013-11-08

    This paper describes a portable microwave assisted extraction apparatus (PMAE) for extraction of bioactive compounds especially essential oils and aromas directly in a crop or in a forest. The developed procedure, based on the concept of green analytical chemistry, is appropriate to obtain direct in-field information about the level of essential oils in natural samples and to illustrate green chemical lesson and research. The efficiency of this experiment was validated for the extraction of essential oil of rosemary directly in a crop and allows obtaining a quantitative information on the content of essential oil, which was similar to that obtained by conventional methods in the laboratory.

  8. Functional Interfaces Constructed by Controlled/Living Radical Polymerization for Analytical Chemistry.

    PubMed

    Wang, Huai-Song; Song, Min; Hang, Tai-Jun

    2016-02-10

    The high-value applications of functional polymers in analytical science generally require well-defined interfaces, including precisely synthesized molecular architectures and compositions. Controlled/living radical polymerization (CRP) has been developed as a versatile and powerful tool for the preparation of polymers with narrow molecular weight distributions and predetermined molecular weights. Among the CRP system, atom transfer radical polymerization (ATRP) and reversible addition-fragmentation chain transfer (RAFT) are well-used to develop new materials for analytical science, such as surface-modified core-shell particles, monoliths, MIP micro- or nanospheres, fluorescent nanoparticles, and multifunctional materials. In this review, we summarize the emerging functional interfaces constructed by RAFT and ATRP for applications in analytical science. Various polymers with precisely controlled architectures including homopolymers, block copolymers, molecular imprinted copolymers, and grafted copolymers were synthesized by CRP methods for molecular separation, retention, or sensing. We expect that the CRP methods will become the most popular technique for preparing functional polymers that can be broadly applied in analytical chemistry.

  9. Recent developments in computer vision-based analytical chemistry: A tutorial review.

    PubMed

    Capitán-Vallvey, Luis Fermín; López-Ruiz, Nuria; Martínez-Olmos, Antonio; Erenas, Miguel M; Palma, Alberto J

    2015-10-29

    Chemical analysis based on colour changes recorded with imaging devices is gaining increasing interest. This is due to its several significant advantages, such as simplicity of use, and the fact that it is easily combinable with portable and widely distributed imaging devices, resulting in friendly analytical procedures in many areas that demand out-of-lab applications for in situ and real-time monitoring. This tutorial review covers computer vision-based analytical (CVAC) procedures and systems from 2005 to 2015, a period of time when 87.5% of the papers on this topic were published. The background regarding colour spaces and recent analytical system architectures of interest in analytical chemistry is presented in the form of a tutorial. Moreover, issues regarding images, such as the influence of illuminants, and the most relevant techniques for processing and analysing digital images are addressed. Some of the most relevant applications are then detailed, highlighting their main characteristics. Finally, our opinion about future perspectives is discussed.

  10. Electrical field-induced extraction and separation techniques: promising trends in analytical chemistry--a review.

    PubMed

    Yamini, Yadollah; Seidi, Shahram; Rezazadeh, Maryam

    2014-03-03

    Sample preparation is an important issue in analytical chemistry, and is often a bottleneck in chemical analysis. So, the major incentive for the recent research has been to attain faster, simpler, less expensive, and more environmentally friendly sample preparation methods. The use of auxiliary energies, such as heat, ultrasound, and microwave, is one of the strategies that have been employed in sample preparation to reach the above purposes. Application of electrical driving force is the current state-of-the-art, which presents new possibilities for simplifying and shortening the sample preparation process as well as enhancing its selectivity. The electrical driving force has scarcely been utilized in comparison with other auxiliary energies. In this review, the different roles of electrical driving force (as a powerful auxiliary energy) in various extraction techniques, including liquid-, solid-, and membrane-based methods, have been taken into consideration. Also, the references have been made available, relevant to the developments in separation techniques and Lab-on-a-Chip (LOC) systems. All aspects of electrical driving force in extraction and separation methods are too specific to be treated in this contribution. However, the main aim of this review is to provide a brief knowledge about the different fields of analytical chemistry, with an emphasis on the latest efforts put into the electrically assisted membrane-based sample preparation systems. The advantages and disadvantages of these approaches as well as the new achievements in these areas have been discussed, which might be helpful for further progress in the future.

  11. Analytical Chemistry at the Laboratoire d'Electrochimie Physique et Analytique.

    PubMed

    Bondarenko, Alexandra; Cortés-Salazar, Fernando; Gasilova, Natalia; Lesch, Andreas; Qiao, Liang; Girault, Hubert H

    2015-01-01

    The Laboratoire d'Electrochimie Physique et Analytique (LEPA) has moved to the new Energypolis campus in Sion. This laboratory is involved in energy research in particular by studying charge transfer reactions at soft interfaces and developing interfacial redox electrocatalysis, by pioneering the concept of photo-ionic cells and by integrating redox flow batteries for the production of hydrogen at the pilot scale. Nonetheless, this laboratory has a long tradition in analytical chemistry with the development of microfabrication techniques such as laser photo-ablation, screen-printing and more recently inkjet printing for the design and fabrication of biosensors and immunosensors. As shown in the present review, the laboratory has recently pioneered new technologies for electrochemical and mass spectrometry imaging and for the screening of allergy in patients. The role of the laboratory in the Valais landscape will be to foster the collaboration with the HES to develop teaching and research in analytical chemistry as this field is a major source of employment for chemists.

  12. Recent advances in the chemistry and biology of pyridopyrimidines.

    PubMed

    Buron, F; Mérour, J Y; Akssira, M; Guillaumet, G; Routier, S

    2015-05-05

    The interest in pyridopyrimidine cores for pharmaceutical products makes this scaffold a highly useful building block for organic chemistry. These derivatives have found applications in various areas of medicine such as anticancer, CNS, fungicidal, antiviral, anti-inflammatory, antimicrobial, and antibacterial therapies. This review mainly focuses on the progress achieved since 2004 in the chemistry and biological activity of pyridopyrimidines.

  13. What Does a Student Know Who Earns a Top Score on the Advanced Placement Chemistry Exam?

    ERIC Educational Resources Information Center

    Claesgens, Jennifer; Daubenmire, Paul L.; Scalise, Kathleen M.; Balicki, Scott; Gochyyev, Perman; Stacy, Angelica M.

    2014-01-01

    This paper compares the performance of students at a high-performing U.S. public school (n = 64) on the advanced placement (AP) chemistry exam to their performance on the ChemQuery assessment system. The AP chemistry exam was chosen because, as the National Research Council acknowledges, it is the "perceived standard of excellence and school…

  14. Development of an Advanced Training Course for Teachers and Researchers in Chemistry

    ERIC Educational Resources Information Center

    Dragisich, Vera; Keller, Valerie; Black, Rebecca; Heaps, Charles W.; Kamm, Judith M.; Olechnowicz, Frank; Raybin, Jonathan; Rombola, Michael; Zhao, Meishan

    2016-01-01

    Based on our long-standing Intensive Training Program for Effective Teaching Assistants in Chemistry, we have developed an Advanced Training Course for Teachers and Researchers in Chemistry at The University of Chicago. The topics in this course are designed to train graduate teaching assistants (GTAs) to become effective teachers and well-rounded…

  15. Integration of a Communicating Science Module into an Advanced Chemistry Laboratory Course

    ERIC Educational Resources Information Center

    Renaud, Jessica; Squier, Christopher; Larsen, Sarah C.

    2006-01-01

    A communicating science module was introduced into an advanced undergraduate physical chemistry laboratory course. The module was integrated into the course such that students received formal instruction in communicating science interwoven with the chemistry laboratory curriculum. The content of the communicating science module included three…

  16. Independent Learning Project for Advanced Chemistry (ILPAC). Teachers' and Technicians' Notes for First Year Units.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    The Independent Learning Project for Advanced Chemistry (ILPAC) has produced units of study for students in A-level chemistry. Students completing ILPAC units assume a greater responsibility for their own learning and can work, to some extent, at their own pace. By providing guidance, and detailed solutions to exercises in the units, supported by…

  17. ADVANCES IN GREEN CHEMISTRY: CHEMICAL SYNTHESES USING MICROWAVE IRRADIATION, ISBN 81-901238-5-8

    EPA Science Inventory

    16. Abstract Advances in Green Chemistry: Chemical Syntheses Using Microwave Irradiation
    Microwave-accelerated chemical syntheses in solvents as well as under solvent-free conditions have witnessed an explosive growth. The technique has found widespread application predomi...

  18. Analytical Chemistry Division annual progress report for period ending December 31, 1982

    SciTech Connect

    Lyon, W.S.

    1983-05-01

    The Analytical Chemistry Dvision of Oak Ridge National laboratory (ORNL) serves a multitude of functions for a clientele that exists both in and outside ORNL. These functions fall into the following general categories: (1) analytical research, development, and implementation; (2) programmatic research, development, and utilization; and (3) technical support. The Division is organized into five major sections, each of which may carry out any type of work falling in the three categories mentioned above. Chapters 1 through 5 of this report highlight progress within the five sections (analytical methodology, mass and emission spectrometry, radioactive materials, bio/organic analysis, and general and environmental analysis) during the period January 1, 1982 to December 31, 1982. A short summary introduces each chapter to indicate work scope. Information about quality assurance and safety programs is presented in Chapter 6, along with a tabulation of analyses rendered. Publications, oral presentations, professional activities, educational programs, and seminars are cited in Chapters 7 and 8. Approximately 61 articles, 32 proceedings publications and 37 reports have been published, and 107 oral presentations were given during this reporting period.

  19. Surface chemistry: Key to control and advance myriad technologies

    PubMed Central

    Yates, John T.; Campbell, Charles T.

    2011-01-01

    This special issue on surface chemistry is introduced with a brief history of the field, a summary of the importance of surface chemistry in technological applications, a brief overview of some of the most important recent developments in this field, and a look forward to some of its most exciting future directions. This collection of invited articles is intended to provide a snapshot of current developments in the field, exemplify the state of the art in fundamental research in surface chemistry, and highlight some possibilities in the future. Here, we show how those articles fit together in the bigger picture of this field. PMID:21245359

  20. Surface chemistry: key to control and advance myriad technologies.

    PubMed

    Yates, John T; Campbell, Charles T

    2011-01-18

    This special issue on surface chemistry is introduced with a brief history of the field, a summary of the importance of surface chemistry in technological applications, a brief overview of some of the most important recent developments in this field, and a look forward to some of its most exciting future directions. This collection of invited articles is intended to provide a snapshot of current developments in the field, exemplify the state of the art in fundamental research in surface chemistry, and highlight some possibilities in the future. Here, we show how those articles fit together in the bigger picture of this field.

  1. Sample Acquisition and Analytical Chemistry Challenges to Verifying Compliance to Aviators Breathing Oxygen (ABO) Purity Specification

    NASA Technical Reports Server (NTRS)

    Graf, John

    2015-01-01

    NASA has been developing and testing two different types of oxygen separation systems. One type of oxygen separation system uses pressure swing technology, the other type uses a solid electrolyte electrochemical oxygen separation cell. Both development systems have been subjected to long term testing, and performance testing under a variety of environmental and operational conditions. Testing these two systems revealed that measuring the product purity of oxygen, and determining if an oxygen separation device meets Aviator's Breathing Oxygen (ABO) specifications is a subtle and sometimes difficult analytical chemistry job. Verifying product purity of cryogenically produced oxygen presents a different set of analytical chemistry challenges. This presentation will describe some of the sample acquisition and analytical chemistry challenges presented by verifying oxygen produced by an oxygen separator - and verifying oxygen produced by cryogenic separation processes. The primary contaminant that causes gas samples to fail to meet ABO requirements is water. The maximum amount of water vapor allowed is 7 ppmv. The principal challenge of verifying oxygen produced by an oxygen separator is that it is produced relatively slowly, and at comparatively low temperatures. A short term failure that occurs for just a few minutes in the course of a 1 week run could cause an entire tank to be rejected. Continuous monitoring of oxygen purity and water vapor could identify problems as soon as they occur. Long term oxygen separator tests were instrumented with an oxygen analyzer and with an hygrometer: a GE Moisture Monitor Series 35. This hygrometer uses an aluminum oxide sensor. The user's manual does not report this, but long term exposure to pure oxygen causes the aluminum oxide sensor head to bias dry. Oxygen product that exceeded the 7 ppm specification was improperly accepted, because the sensor had biased. The bias is permanent - exposure to air does not cause the sensor to

  2. Assessing Advanced High School and Undergraduate Students' Thinking Skills: The Chemistry--From the Nanoscale to Microelectronics Module

    ERIC Educational Resources Information Center

    Dori, Yehudit Judy; Dangur, Vered; Avargil, Shirly; Peskin, Uri

    2014-01-01

    Chemistry students in Israel have two options for studying chemistry: basic or honors (advanced placement). For instruction in high school honors chemistry courses, we developed a module focusing on abstract topics in quantum mechanics: Chemistry--From the Nanoscale to Microelectronics. The module adopts a visual-conceptual approach, which…

  3. The Academic Tree of Howard V. Malmstadt: From Early Scientific Exploration to Modern Analytical Chemistry.

    PubMed

    Storey, Andrew P; Hieftje, Gary M

    2016-12-01

    Over the last several decades, science has benefited tremendously by the implementation of digital electronic components for analytical instrumentation. A pioneer in this area of scientific inquiry was Howard Malmstadt. Frequently, such revolutions in scientific history can be viewed as a series of discoveries without a great deal of attention as to how mentorship shapes the careers and methodologies of those who made great strides forward for science. This paper focuses on the verifiable relationships of those who are connected through the academic tree of Malmstadt and how their experiences and the context of world events influenced their scientific pursuits. Particular attention is dedicated to the development of American chemistry departments and the critical role played by many of the individuals in the tree in this process.

  4. Pollution Prevention Plan for the Y-12 Analytical Chemistry Organization Off-Site Union Valley Facility

    SciTech Connect

    Jackson, J. G.

    2010-03-01

    The Y-12 Analytical Chemistry Organization (ACO) Off-Site Union Valley Facility (Union Valley Facility) is managed by Babcock and Wilcox Technical Services Y-12, L.L.C. (B and W Y-12) through the Y-12 National Security Complex organization. Accordingly, the Y-12 Pollution Prevention Program encompasses the operations conducted at the Union Valley Facility. The Y-12 Program is designed to fully comply with state, federal and U.S. Department of Energy (DOE) requirements concerning waste minimization/pollution prevention as documented in the Y-12 Pollution Prevention Program Plan. The Program is formulated to reduce the generation and toxicity of all Y-12 wastes in all media, including those wastes generated by the Union Valley Facility operations. All regulatory and DOE requirements are met by the Y-12 Program Plan.

  5. Education: a microfluidic platform for university-level analytical chemistry laboratories.

    PubMed

    Greener, Jesse; Tumarkin, Ethan; Debono, Michael; Dicks, Andrew P; Kumacheva, Eugenia

    2012-02-21

    We demonstrate continuous flow acid-base titration reactions as an educational microfluidic platform for undergraduate and graduate analytical chemistry courses. A series of equations were developed for controlling and predicting the results of acid-base neutralisation reactions conducted in a microfluidic format, including the combinations of (i) a strong base and a strong acid, (ii) a strong base and a weak acid, and (iii) a strong base and a multiprotic acid. Microfluidic titrations yielded excellent repeatability. The small experimental footprint is advantageous in crowded teaching laboratories, and it offers limited waste and exposure to potentially hazardous acids and bases. This platform will help promote the utilisation of microfluidics at an earlier stage of students' careers.

  6. Teaching Effective Communication in a Writing-Intensive Analytical Chemistry Course

    NASA Astrophysics Data System (ADS)

    Whelan, Rebecca J.; Zare, Richard N.

    2003-08-01

    Effective writing and speaking skills are vital for chemical professionals, yet traditional academic preparation does little to develop these skills. In this report, we describe classroom-tested strategies for teaching writing and speaking. In the context of a required lecture and laboratory course in analytical chemistry, students gain extensive experience with reading, writing, revising, and speaking in the way that professional chemists do. Students improve their writing skills by preparing four laboratory reports that follow the conventions of the chemical literature. One of the reports is prepared collaboratively to reflect the real experience of professional chemists. Individualized conferences and critiques by more experienced peers lead to extensive revision of a graded report. Several activities encourage the students to develop an appreciation of the organization and strategy of a scientific article. Finally, the students practice oral communication by preparing and delivering a short presentation, including visual aids, based on a paper from the literature.

  7. Electroextraction and electromembrane extraction: Advances in hyphenation to analytical techniques

    PubMed Central

    Oedit, Amar; Ramautar, Rawi; Hankemeier, Thomas

    2016-01-01

    Electroextraction (EE) and electromembrane extraction (EME) are sample preparation techniques that both require an electric field that is applied over a liquid‐liquid system, which enables the migration of charged analytes. Furthermore, both techniques are often used to pre‐concentrate analytes prior to analysis. In this review an overview is provided of the body of literature spanning April 2012–November 2015 concerning EE and EME, focused on hyphenation to analytical techniques. First, the theoretical aspects of concentration enhancement in EE and EME are discussed to explain extraction recovery and enrichment factor. Next, overviews are provided of the techniques based on their hyphenation to LC, GC, CE, and direct detection. These overviews cover the compounds and matrices, experimental aspects (i.e. donor volume, acceptor volume, extraction time, extraction voltage, and separation time) and the analytical aspects (i.e. limit of detection, enrichment factor, and extraction recovery). Techniques that were either hyphenated online to analytical techniques or show high potential with respect to online hyphenation are highlighted. Finally, the potential future directions of EE and EME are discussed. PMID:26864699

  8. Analytical Models of Exoplanetary Atmospheres. III. Gaseous C-H-O-N Chemistry with Nine Molecules

    NASA Astrophysics Data System (ADS)

    Heng, Kevin; Tsai, Shang-Min

    2016-10-01

    We present novel, analytical, equilibrium-chemistry formulae for the abundances of molecules in hot exoplanetary atmospheres that include the carbon, oxygen, and nitrogen networks. Our hydrogen-dominated solutions involve acetylene (C2H2), ammonia (NH3), carbon dioxide (CO2), carbon monoxide (CO), ethylene (C2H4), hydrogen cyanide (HCN), methane (CH4), molecular nitrogen (N2), and water (H2O). By considering only the gas phase, we prove that the mixing ratio of carbon monoxide is governed by a decic equation (polynomial equation of 10 degrees). We validate our solutions against numerical calculations of equilibrium chemistry that perform Gibbs free energy minimization and demonstrate that they are accurate at the ˜ 1 % level for temperatures from 500 to 3000 K. In hydrogen-dominated atmospheres, the ratio of abundances of HCN to CH4 is nearly constant across a wide range of carbon-to-oxygen ratios, which makes it a robust diagnostic of the metallicity in the gas phase. Our validated formulae allow for the convenient benchmarking of chemical kinetics codes and provide an efficient way of enforcing chemical equilibrium in atmospheric retrieval calculations.

  9. Applications of the New Family of Coherent Multidimensional Spectroscopies for Analytical Chemistry.

    PubMed

    Wright, John C

    2017-03-27

    A new family of vibrational and electronic spectroscopies has emerged, comprising the coherent analogs of traditional analytical methods. These methods are also analogs of coherent multidimensional nuclear magnetic resonance (NMR) spectroscopy. This new family is based on creating the same quantum mechanical superposition states called multiple quantum coherences (MQCs). NMR MQCs are mixtures of nuclear spin states that retain their quantum mechanical phase information for milliseconds. The MQCs in this new family are mixtures of vibrational and electronic states that retain their phases for picoseconds or shorter times. Ultrafast, high-intensity coherent beams rapidly excite multiple states. The excited MQCs then emit bright beams while they retain their phases. Time-domain methods measure the frequencies of the MQCs by resolving their phase oscillations, whereas frequency-domain methods measure the resonance enhancements of the output beam while scanning the excitation frequencies. The resulting spectra provide multidimensional spectral signatures that increase the spectroscopic selectivity required for analyzing complex samples. Expected final online publication date for the Annual Review of Analytical Chemistry Volume 10 is June 12, 2017. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

  10. Effect of repeated freezing and thawing on 18 clinical chemistry analytes in rat serum.

    PubMed

    Kale, Vijay P; Patel, Sweta G; Gunjal, Prashant S; Wakchaure, Santosh U; Sundar, Rajesh S; Ranvir, Ramchandra K; Jain, Mukul R

    2012-07-01

    In a preclinical research laboratory, using serum samples that have been frozen and thawed repeatedly is sometimes unavoidable when needing to confirm previous results or perform additional analysis. Here we determined the effects of multiple cycles of refrigeration or freezing and thawing of rat serum at 3 temperature conditions for different storage times on clinical chemistry analytes. Serum samples obtained from adult Wistar rats were stored at 2 to 8 °C and -10 to -20 °C for as long as 72 h and at -70 °C for as long as 30 d. At different time points (24, 48, and 72 h for samples stored at 2 to 8 °C or -10 to -20 °C and 1, 7, and 30 d for samples stored at -70 °C), the samples were brought to room temperature, analyzed, and then stored again at the designated temperature. The results obtained after each storage cycle were compared with those obtained from the initial analysis of fresh samples. Of the 18 serum analytes evaluated, 14 were stable without significant changes, even after 3 freeze-thaw cycles at the tested temperature ranges. Results from this study will help researchers working with rat serum to interpret the biochemical data obtained from serum samples that have been frozen and thawed repeatedly.

  11. Infrared Ion Spectroscopy at Felix: Applications in Peptide Dissociation and Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Oomens, Jos

    2016-06-01

    Infrared free electron lasers such as those in Paris, Berlin and Nijmegen have been at the forefront of the development of infrared ion spectroscopy. In this contribution, I will give an overview of new developments in IR spectroscopy of stored ions at the FELIX Laboratory. In particular, I will focus on recent developments made possible by the coupling of a new commercial ion trap mass spectrometer to the FELIX beamline. The possibility to record IR spectra of mass-selected molecular ions and their reaction products has in recent years shed new light on our understanding of collision induced dissociation (CID) reactions of protonated peptides in mass spectrometry (MS). We now show that it is possible to record IR spectra for the products of electron transfer dissociation (ETD) reactions [M + nH]n+ + A- → [M + nH](n-1)+ + A → {dissociation of analyte} These reactions are now widely used in novel MS-based protein sequencing strategies, but involve complex radical chemistry. The spectroscopic results allow stringent verification of computationally predicted product structures and hence reaction mechanisms and H-atom migration. The sensitivity and high dynamic range of a commercial mass spectrometer also allows us to apply infrared ion spectroscopy to analytes in complex "real-life" mixtures. The ability to record IR spectra with the sensitivity of mass-spectrometric detection is unrivalled in analytical sciences and is particularly useful in the identification of small (biological) molecules, such as in metabolomics. We report preliminary results of a pilot study on the spectroscopic identification of small metabolites in urine and plasma samples.

  12. Using a Practical Instructional Development Process to Show That Integrating Lab and Active Learning Benefits Undergraduate Analytical Chemistry

    ERIC Educational Resources Information Center

    Goacher, Robyn E.; Kline, Cynthia M.; Targus, Alexis; Vermette, Paul J.

    2017-01-01

    We describe how a practical instructional development process helped a first-year assistant professor rapidly develop, implement, and assess the impact on her Analytical Chemistry course caused by three changes: (a) moving the lab into the same semester as the lecture, (b) developing a more collaborative classroom environment, and (c) increasing…

  13. Tetraglyme Trap for the Determination of Volatile Organic Compounds in Urban Air: Projects for Undergraduate Analytical Chemistry

    ERIC Educational Resources Information Center

    Hope, Wilbert W.; Johnson, Clyde; Johnson, Leon P.

    2004-01-01

    The differences in the levels of volatile organic compounds (VOCs), in the ambient air from the two urban locations, were studied by the undergraduate analytical chemistry students. Tetraglyme is very widely used due to its simplicity and its potential for use to investigate VOCs in ambient and indoor air employing a purge-and-trap concentrator…

  14. The Quantitative Resolution of a Mixture of Group II Metal Ions by Thermometric Titration with EDTA. An Analytical Chemistry Experiment.

    ERIC Educational Resources Information Center

    Smith, Robert L.; Popham, Ronald E.

    1983-01-01

    Presents an experiment in thermometric titration used in an analytic chemistry-chemical instrumentation course, consisting of two titrations, one a mixture of calcium and magnesium, the other of calcium, magnesium, and barium ions. Provides equipment and solutions list/specifications, graphs, and discussion of results. (JM)

  15. Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics Lecture: Broadband Rotational Spectroscopy for Chemical Kinetics, Molecular Structure, and Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Pate, Brooks

    2013-03-01

    Advances in high-speed digital electronics have enabled a new generation of molecular rotational spectroscopy techniques that provide instantaneous broadband spectral coverage. These techniques use a chirped excitation pulse to coherently excite the molecular sample over a spectral bandwidth of 10 GHz or larger through rapid passage. The subsequent time-domain emission is recorded using high-speed digitizers (up to 100 Gigasample/s) and the frequency domain spectrum is produced by fast Fourier transformation. The chirped-pulse Fourier transform (CP-FT) method has been implemented in the microwave frequency range (2-40 GHz) for studies of cold samples in pulsed jet sources and in the mm-wave/terahertz (THz) frequency range for studies of samples at room-temperature. The method has opened new applications for molecular rotational spectroscopy in the area of chemical kinetics where dynamic rotational spectroscopy is used to measure the rates of unimolecular isomerization reactions in highly excited molecules prepared by pulsed infrared laser excitation. In these applications, the isomerization rate is obtained from an analysis of the overall line shapes which are modified by chemical exchange leading to coalescence behavior similar to the effect in NMR spectroscopy. The sensitivity of the method and the ability to extend it to low frequency (2-8 GHz) have significantly increased the size range of molecules and molecular clusters for structure determination using isotopic substitution to build up the 3D molecular structures atom-by-atom. Application to the structure of water clusters with up to 15 water molecules will be presented. When coupled with advances in solid-state mm-wave/THz devices, this method provides a direct digital technique for analytical chemistry of room-temperature gases based on molecular rotational spectroscopy. These high-throughput methods can analyze complex sample mixtures with unmatched chemical selectivity and short analysis times. Work

  16. Advances in atmospheric chemistry modeling: the LLNL impact tropospheric/stratospheric chemistry model

    SciTech Connect

    Rotman, D A; Atherton, C

    1999-10-07

    We present a unique modeling capability to understand the global distribution of trace gases and aerosols throughout both the troposphere and stratosphere. It includes the ability to simulate tropospheric chemistry that occurs both in the gas phase as well as on the surfaces of solid particles. We have used this capability to analyze observations from particular flight campaigns as well as averaged observed data. Results show the model to accurately simulate the complex chemistry occurring near the tropopause and throughout the troposphere and stratosphere.

  17. APPLICATION OF INFRARED SPECTROSCOPY TO THE ANALYSIS OF INORGANIC NITRATES. PHASE 1. SPECTRA OF INORGANIC NITRATES IN ACETONE AND THE USE OF SUCH SPECTRA IN ANALYTICAL CHEMISTRY

    DTIC Science & Technology

    A study was made of the spectra of soluble inorganic nitrates in acetone solution and the use of such spectra in analytical chemistry . The spectra of...solubilities of anhydrous inorganic nitrates in acetone. The applications of the spectra of inorganic nitrates in acetone to analytical chemistry is

  18. Advances in Assays and Analytical Approaches for Botulinum Toxin Detection

    SciTech Connect

    Grate, Jay W.; Ozanich, Richard M.; Warner, Marvin G.; Bruckner-Lea, Cindy J.; Marks, James D.

    2010-08-04

    Methods to detect botulinum toxin, the most poisonous substance known, are reviewed. Current assays are being developed with two main objectives in mind: 1) to obtain sufficiently low detection limits to replace the mouse bioassay with an in vitro assay, and 2) to develop rapid assays for screening purposes that are as sensitive as possible while requiring an hour or less to process the sample an obtain the result. This review emphasizes the diverse analytical approaches and devices that have been developed over the last decade, while also briefly reviewing representative older immunoassays to provide background and context.

  19. Advances in the chemistry of catalytic reforming of naphtha

    SciTech Connect

    Anabtawi, J.A.; Redwan, D.S.; Al-Jarallah, A.M.; Aitani, A.M. )

    1991-01-01

    Catalytic reforming of naphtha remains the key process for production of high octane gasoline and aromatics (BTX) which are used as petrochemicals feedstocks. The increased demand for these products has led refiners to investigate ways for improving the performance of the reforming process and its catalysts. Moreover, in order to comply with environmental restrictions, the reduction in lead content would require further increase in the reformate octane number. In response to these requirements, refiners and catalyst manufacturers are examining the role of the catalysts in improving the selectivity to aromatics and in octane enhancement. By understanding the chemistry and the mechanism of the reforming process, higher performance catalysts with longer life on stream and lower cost can be developed. This review covers recent developments in reforming catalysts, process reaction chemistry and mechanism. It also highlights prospective areas of research.

  20. Physical Chemistry Research Toward Proton Exchange Membrane Fuel Cell Advancement.

    PubMed

    Swider-Lyons, Karen E; Campbell, Stephen A

    2013-02-07

    Hydrogen fuel cells, the most common type of which are proton exchange membrane fuel cells (PEMFCs), are on a rapid path to commercialization. We credit physical chemistry research in oxygen reduction electrocatalysis and theory with significant breakthroughs, enabling more cost-effective fuel cells. However, most of the physical chemistry has been restricted to studies of platinum and related alloys. More work is needed to better understand electrocatalysts generally in terms of properties and characterization. While the advent of such highly active catalysts will enable smaller, less expensive, and more powerful stacks, they will require better understanding and a complete restructuring of the diffusion media in PEMFCs to facilitate faster transport of the reactants (O2) and products (H2O). Even Ohmic losses between materials become more important at high power. Such lessons from PEMFC research are relevant to other electrochemical conversion systems, including Li-air batteries and flow batteries.

  1. Analytical Chemistry Division annual progress report for period ending December 31, 1991

    SciTech Connect

    1992-01-01

    The following sentences highlight some of the technical activities carried out during 1991. They illustrate the diversity of programs and technical work performed within the Analytical Chemistry Division. Our neutron activation analysis laboratory at HFIR was placed into operation during 1991. We have combined inductively coupled plasma mass spectrometry (ICP/MS) with a preparation procedure developed at the Argonne National Laboratory to measure ultra-trace levels of U, Pu, Np, and Am in body fluids, primarily urine. Much progress has been made over the last year in the interfacing of an rf-powered glow discharge source to a double-focusing mass spectrometer. Preliminary experiments using electrospray ionization combined with ion trap mass spectrometry show much promise for the analysis of metals in solution. A secondary ion microprobe has been constructed that permits determination of the distribution of organic compounds less than a monolayer thick on samples as large as 1 cm diameter. Fourier transform mass spectrometry has been demonstrated to be a highly effective tool for the detailed characterization of biopolymers, especially normal and modified oligonucleotides. Much has been accomplished in understanding the fundamentals of quadrupole ion trap mass spectrometry. Work with ITMS instrumentation has led to the development of rapid methods for the detection of trace organics in environmental and physiological samples. A new type of time-of-flight mass spectrometer was designed for use with our positron ionization experiments. Fundamental research on chromatography at high concentrations and on gas-solid adsorption has continued. The preparation of a monograph on the chemistry of environmental tobacco smoke was completed this year.

  2. Continuous Symmetry and Chemistry Teachers: Learning Advanced Chemistry Content through Novel Visualization Tools

    ERIC Educational Resources Information Center

    Tuvi-Arad, Inbal; Blonder, Ron

    2010-01-01

    In this paper we describe the learning process of a group of experienced chemistry teachers in a specially designed workshop on molecular symmetry and continuous symmetry. The workshop was based on interactive visualization tools that allow molecules and their symmetry elements to be rotated in three dimensions. The topic of continuous symmetry is…

  3. A Graph Analytic Metric for Mitigating Advanced Persistent Threat

    SciTech Connect

    Johnson, John R.; Hogan, Emilie A.

    2013-06-04

    This paper introduces a novel graph analytic metric that can be used to measure the potential vulnerability of a cyber network to specific types of attacks that use lateral movement and privilege escalation such as the well known Pass The Hash, (PTH). The metric is computed from an oriented subgraph of the underlying cyber network induced by selecting only those edges for which a given property holds between the two vertices of the edge. The metric with respect to a select node on the subgraph is defined as the likelihood that the select node is reachable from another arbitrary node in the graph. This metric can be calculated dynamically from the authorization and auditing layers during the network security authorization phase and will potentially enable predictive deterrence against attacks such as PTH.

  4. Advances in microwave-assisted combinatorial chemistry without polymer-supported reagents.

    PubMed

    Martínez-Palou, Rafael

    2006-08-01

    Combinatorial methodologies have dramatically changed the chemical research and discovery process, offering an unlimited source of new molecule entities to be screened for activity. The application of microwave irradiation in Combinatorial Chemistry and high-throughput synthesis has become increasingly popular. By taking advantage of this energy source, compound libraries for lead generation can be assembled in a fraction of time required by conventional thermal heating. This review focuses on the advances in developing synthetic methodologies in microwave without polymer-supported reagents suitable for combinatorial chemistry, including the advances in microwave-assisted fluorous synthesis technology.

  5. Advances in solid-phase extraction disks for environmental chemistry

    USGS Publications Warehouse

    Thurman, E.M.; Snavely, K.

    2000-01-01

    The development of solid-phase extraction (SPE) for environmental chemistry has progressed significantly over the last decade to include a number of new sorbents and new approaches to SPE. One SPE approach in particular, the SPE disk, has greatly reduced or eliminated the use of chlorinated solvents for the analysis of trace organic compounds. This article discusses the use and applicability of various SPE disks, including micro-sized disks, prior to gas chromatography-mass spectrometry for the analysis of trace organic compounds in water. Copyright (C) 2000 Elsevier Science B.V.

  6. Analytical Chemistry Laboratory Quality Assurance Project Plan for the Transuranic Waste Characterization Program

    SciTech Connect

    Sailer, S.J.

    1996-08-01

    This Quality Assurance Project Plan (QAPJP) specifies the quality of data necessary and the characterization techniques employed at the Idaho National Engineering Laboratory (INEL) to meet the objectives of the Department of Energy (DOE) Waste Isolation Pilot Plant (WIPP) Transuranic Waste Characterization Quality Assurance Program Plan (QAPP) requirements. This QAPJP is written to conform with the requirements and guidelines specified in the QAPP and the associated documents referenced in the QAPP. This QAPJP is one of a set of five interrelated QAPjPs that describe the INEL Transuranic Waste Characterization Program (TWCP). Each of the five facilities participating in the TWCP has a QAPJP that describes the activities applicable to that particular facility. This QAPJP describes the roles and responsibilities of the Idaho Chemical Processing Plant (ICPP) Analytical Chemistry Laboratory (ACL) in the TWCP. Data quality objectives and quality assurance objectives are explained. Sample analysis procedures and associated quality assurance measures are also addressed; these include: sample chain of custody; data validation; usability and reporting; documentation and records; audits and 0385 assessments; laboratory QC samples; and instrument testing, inspection, maintenance and calibration. Finally, administrative quality control measures, such as document control, control of nonconformances, variances and QA status reporting are described.

  7. Integrative Chemistry: Advanced functional cellular materials bearing multiscale porosity

    NASA Astrophysics Data System (ADS)

    Depardieu, M.; Kinadjian, N.; Backov, R.

    2015-07-01

    With this mini review we show through the sol-gel and emulsion-based Integrative Chemistry how it is possible to trigger materials dimensionality and beyond their functionalities when reaching enhanced applications. In here we focus on 3D macrocellular monolithic foams bearing hierarchical porosities and applications thereof. We first depict the general background of emulsions focusing on concentrated ones, acting as soft templates for the design of PolyHIPE foams, HIPE being the acronym of High Internal Phase Emulsions while encompassing both sol-gel and polymer chemistry. Secondly we extend this approach toward the design of hybrid organic-inorganic foams, labeled Organo-Si(HIPE), where photonics and heterogeneous catalysis applications are addressed. In a third section we show how inorganic Si(HIPE) matrices can be employed as sacrificial hard templates for the generation carbonaceous foams, labeled Carbon(HIPE). These foams being conductive we show applications when employed as electrodes for Li-S battery and as hosts for Li(BH4)-based hydrogen storage.

  8. Recent Advances in the Chemistry and Biology of Podophyllotoxins.

    PubMed

    Yu, Xiang; Che, Zhiping; Xu, Hui

    2017-04-03

    Podophyllotoxin and its related aryltetralin cyclolignans belong to a family of important products that exhibit various biological properties (e.g., cytotoxic, insecticidal, antifungal, antiviral, anti-inflammatory, neurotoxic, immunosuppressive, antirheumatic, antioxidative, antispasmogenic, and hypolipidemic activities). This Review provides a survey of podophyllotoxin and its analogues isolated from plants. In particular, recent developments in the elegant total chemical synthesis, structural modifications, biosynthesis, and biotransformation of podophyllotoxin and its analogues are summarized. Moreover, a deoxypodophyllotoxin-based chemosensor for selective detection of mercury ion is described. In addition to the most active podophyllotoxin derivatives in each series against human cancer cell lines and insect pests listed in the tables, the structure-activity relationships of podophyllotoxin derivatives as cytotoxic and insecticidal agents are also outlined. Future prospects and further developments in this area are covered at the end of the Review. We believe that this Review will provide necessary information for synthetic, medicinal, and pesticidal chemistry researchers who are interested in the chemistry and biology of podophyllotoxins.

  9. Visualizing Chemistry: The Progess and Promise of Advanced Chemical Imaging

    SciTech Connect

    Committee on Revealing Chemistry Through Advanced Chemical Imaging

    2006-09-01

    The field of chemical imaging can provide detailed structural, functional, and applicable information about chemistry and chemical engineering phenomena that have enormous impacts on medicine, materials, and technology. In recognizing the potential for more research development in the field of chemical imaging, the National Academies was asked by the National Science Foundation, Department of Energy, U.S. Army, and National Cancer Institute to complete a study that would review the current state of molecular imaging technology, point to promising future developments and their applications, and suggest a research and educational agenda to enable breakthrough improvements in the ability to image molecular processes simultaneously in multiple physical dimensions as well as time. The study resulted in a consensus report that provides guidance for a focused research and development program in chemical imaging and identifies research needs and possible applications of imaging technologies that can provide the breakthrough knowledge in chemistry, materials science, biology, and engineering for which we should strive. Public release of this report is expected in early October.

  10. Analytical Advances in the Ex Vivo Challenge Efficacy Assay.

    PubMed

    Richardson-Harman, Nicola; Parody, Robert; Anton, Peter; McGowan, Ian; Doncel, Gustavo; Thurman, Andrea Ries; Herrera, Carolina; Kordy, Kattayoun; Fox, Julie; Tanner, Karen; Swartz, Glenn; Dezzutti, Charlene S

    2017-04-01

    The ex vivo challenge assay is being increasingly used as an efficacy endpoint during early human clinical trials of HIV prevention treatments. There is no standard methodology for the ex vivo challenge assay, although the use of different data collection methods and analytical parameters may impact results and reduce the comparability of findings between trials. In this analysis, we describe the impact of data imputation methods, kit type, testing schedule and tissue type on variability, statistical power, and ex vivo HIV growth kinetics. Data were p24 antigen (pg/ml) measurements collected from clinical trials of candidate microbicides where rectal (n = 502), cervical (n = 88), and vaginal (n = 110) tissues were challenged with HIV-1BaL ex vivo. Imputation of missing data using a nonlinear mixed effect model was found to provide an improved fit compared to imputation using half the limit of detection. The rectal virus growth period was found to be earlier and of a relatively shorter duration than the growth period for cervical and vaginal tissue types. On average, only four rectal tissue challenge assays in each treatment and control group would be needed to find a one log difference in p24 to be significant (alpha = 0.05), but a larger sample size was predicted to be needed for either cervical (n = 21) or vaginal (n = 10) tissue comparisons. Overall, the results indicated that improvements could be made in the design and analysis of the ex vivo challenge assay to provide a more standardized and powerful assay to compare efficacy of microbicide products.

  11. A Simultaneous Analysis Problem for Advanced General Chemistry Laboratories.

    ERIC Educational Resources Information Center

    Leary, J. J.; Gallaher, T. N.

    1983-01-01

    Oxidation of magnesium metal in air has been used as an introductory experiment for determining the formula of a compound. The experiment described employs essentially the same laboratory procedure but is significantly more advanced in terms of information sought. Procedures and sample calculations/results are provided. (JN)

  12. Recent Advances in Glycerol Polymers: Chemistry and Biomedical Applications

    PubMed Central

    Zhang, Heng

    2015-01-01

    Glycerol polymers are attracting increased attention due to the diversity of polymer compositions and architectures available. This article provides a brief chronological review on the current status of these polymers along with representative examples of their use for biomedical applications. First, we describe the underlying chemistry of glycerol, which provides access to a range of monomers for subsequent polymerizations. We then review the various synthetic methodologies to prepare glycerol-based polymers including polyethers, polycarbonates, polyesters, and so forth. Next, we describe several biomedical applications where glycerol polymers are being investigated including carriers for drug delivery, sealants or coatings for tissue repair, and agents possessing antibacterial activity. Fourth, we describe the growing market opportunity for the use of polymers in medicine. Finally we conclude and summarize the findings, as well as discuss potential opportunities for continued research efforts. PMID:25308354

  13. Recent advances in glycerol polymers: chemistry and biomedical applications.

    PubMed

    Zhang, Heng; Grinstaff, Mark W

    2014-11-01

    Glycerol polymers are attracting increased attention due to the diversity of polymer compositions and architectures available. This article provides a brief chronological review on the current status of these polymers along with representative examples of their use for biomedical applications. First, the underlying chemistry of glycerol that provides access to a range of monomers for subsequent polymerizations is described. Then, the various synthetic methodologies to prepare glycerol-based polymers including polyethers, polycarbonates, polyesters, and so forth are reviewed. Next, several biomedical applications where glycerol polymers are being investigated including carriers for drug delivery, sealants or coatings for tissue repair, and agents possessing antibacterial activity are described. Fourth, the growing market opportunity for the use of polymers in medicine is described. Finally, the findings are concluded and summarized, as well as the potential opportunities for continued research efforts are discussed.

  14. s-Block Elements. Independent Learning Project for Advanced Chemistry (ILPAC). Unit I1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two sections and an appendix, focuses on the elements and compounds of Groups I and II (the s-block) of the periodic table. The groups are treated concurrently to note comparisons between groups and to…

  15. Integrating Project-Based Service-Learning into an Advanced Environmental Chemistry Course

    ERIC Educational Resources Information Center

    Draper, Alison J.

    2004-01-01

    An active service-learning research work is conducted in the field of advanced environmental chemistry. Multiple projects are assigned to students, which promote individual learning skills, self-confidence as scientists, and a deep understanding of the environmental chemist's profession.

  16. Atomic Structure. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on atomic structure is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. Level one focuses on the atomic nucleus. Level two focuses on the arrangement of extranuclear electrons, approaching atomic orbitals through both electron bombardment and spectra.…

  17. Equilibrium II: Acids and Bases. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P3.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on equilibrium is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, focuses on the application of equilibrium principles to equilibria involving weak acids and bases, including buffer solutions and indicators. Level one uses Le Chatelier's…

  18. The Halogens. Independent Learning Project for Advanced Chemistry (ILPAC). Unit I2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, focuses on the elements and compounds of Group IV (halogens) of the periodic table. Level one deals with the physical and chemical properties of the individual elements. Level two considers…

  19. Hydrocarbons. Independent Learning Project for Advanced Chemistry (ILPAC). Unit O1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on hydrocarbons is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit is divided into sections dealing with alkanes, alkenes, alkynes, arenes, and several aspects of the petroleum industry. Two experiments, exercises (with answers), and pre- and post-tests are included.…

  20. A Study on Advanced Lithium-Based Battery Cell Chemistries to Enhance Lunar Exploration Missions

    NASA Technical Reports Server (NTRS)

    Reid, Concha M.; Bennett, William R.

    2010-01-01

    NASAs Exploration Technology Development Program (ETDP) Energy Storage Project conducted an advanced lithium-based battery chemistry feasibility study to determine the best advanced chemistry to develop for the Altair Lunar Lander and the Extravehicular Activities (EVA) advanced Lunar surface spacesuit. These customers require safe, reliable batteries with extremely high specific energy as compared to state-of-the-art. The specific energy goals for the development project are 220 watt-hours per kilogram (Wh/kg) delivered at the battery-level at 0 degrees Celsius ( C) at a C/10 discharge rate. Continuous discharge rates between C/5 and C/2, operation between 0 and 30 C and 200 cycles are targeted. Electrode materials that were considered include layered metal oxides, spinel oxides, and olivine-type cathode materials, and lithium metal, lithium alloy, and silicon-based composite anode materials. Advanced cell chemistry options were evaluated with respect to multiple quantitative and qualitative attributes while considering their projected performance at the end of the available development timeframe. Following a rigorous ranking process, a chemistry that combines a lithiated nickel manganese cobalt oxide Li(LiNMC)O2 cathode with a silicon-based composite anode was selected as the technology that can potentially offer the best combination of safety, specific energy, energy density, and likelihood of success.

  1. The Gaseous State. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on the gaseous state is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. Level one deals with the distinctive characteristics of gases, then considers the gas laws, in particular the ideal gas equation and its applications. Level two concentrates on…

  2. Bonding and Structure. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S4.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on chemical bonding is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, provides an introduction to the main types of chemical bonding and important aspects of structure. The main emphasis is placed on such topics as ionic and covalent bonding,…

  3. Chemical Energetics. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S3.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on chemical energetics is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, provides a clear yet detailed and thorough introduction to the topic. Level one extends ideas from previous courses, introduces and emphasizes the importance of Hess'…

  4. Equilibrium I: Principles. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on the principles of equilibrium is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. After a treatment of non-mathematical aspects in level one (the idea of a reversible reaction, characteristics of an equilibrium state, the Le Chatelier's principle),…

  5. An Advanced Undergraduate Chemistry Laboratory Experiment Exploring NIR Spectroscopy and Chemometrics

    ERIC Educational Resources Information Center

    Wanke, Randall; Stauffer, Jennifer

    2007-01-01

    An advanced undergraduate chemistry laboratory experiment to study the advantages and hazards of the coupling of NIR spectroscopy and chemometrics is described. The combination is commonly used for analysis and process control of various ingredients used in agriculture, petroleum and food products.

  6. General Procedure for the Easy Calculation of pH in an Introductory Course of General or Analytical Chemistry

    ERIC Educational Resources Information Center

    Cepriá, Gemma; Salvatella, Luis

    2014-01-01

    All pH calculations for simple acid-base systems used in introductory courses on general or analytical chemistry can be carried out by using a general procedure requiring the use of predominance diagrams. In particular, the pH is calculated as the sum of an independent term equaling the average pK[subscript a] values of the acids involved in the…

  7. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-09-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. The main activity during this granting period was a completion of a detailed comparative analysis of the suite of spectral editing techniques developed in our laboratory for this purpose. The appended report is a manuscript being submitted to the Journal of Magnetic Resonance on this subject.

  8. Tris(pentafluorophenyl)borane and Beyond: Modern Advances in Borylation Chemistry.

    PubMed

    Lawson, James R; Melen, Rebecca L

    2017-02-03

    As main-group chemistry, in particular boron chemistry, has expanded and developed over the past 20 years, one reagent has risen to prominence as well. Tris(pentafluorophenyl)borane, B(C6F5)3 (commonly known as BCF), has demonstrated extensive applications in a wide variety of reactions, including borylation, hydrogenation, hydrosilylation, frustrated Lewis pair (FLP) chemistry, Lewis acid catalysis, and more. The high Lewis acidity of B(C6F5)3 is derived from the electronic effects of its three C6F5 rings, rendering it a versatile reagent for a great number of reactions. In addition, the steric bulk of these rings also allows it to function as the Lewis acid in a FLP, granting this reagent yet another synthetically useful application. However, as main-group chemistry continues to evolve as a field, new reagents are required that go beyond BCF, increasing not only the range of reactions available but also the breadth of compounds attainable. Great strides have already been made in order to accomplish this task, and this review will highlight modern advances in boron chemistry relating to borylation reactions. Herein, we will show the recent uses of B(C6F5)3 in borylation reactions while also focusing on current advances in novel borane and borocation usage that eclipses that of the stalwart B(C6F5)3.

  9. Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

    SciTech Connect

    Ryan, R.R.

    1981-05-01

    This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research.

  10. A May American Economic Review Papers Seminar and an Analytic Project for Advanced Undergraduates

    ERIC Educational Resources Information Center

    Elliott, Catherine S.

    2004-01-01

    The author describes two learning activities for teaching economics at the advanced undergraduate level: a May American Economic Review (AER) papers seminar and an analytic project. Both activities help students learn to "do economics." The May AER papers seminar promotes in-depth synthesis and interpretation on the basis of printed session papers…

  11. Understanding Fluorescence Measurements through a Guided-Inquiry and Discovery Experiment in Advanced Analytical Laboratory

    ERIC Educational Resources Information Center

    Wilczek-Vera, Grazyna; Salin, Eric Dunbar

    2011-01-01

    An experiment on fluorescence spectroscopy suitable for an advanced analytical laboratory is presented. Its conceptual development used a combination of the expository and discovery styles. The "learn-as-you-go" and direct "hands-on" methodology applied ensures an active role for a student in the process of visualization and discovery of concepts.…

  12. Black Boxes in Analytical Chemistry: University Students' Misconceptions of Instrumental Analysis

    ERIC Educational Resources Information Center

    Carbo, Antonio Domenech; Adelantado, Jose Vicente Gimeno; Reig, Francisco Bosch

    2010-01-01

    Misconceptions of chemistry and chemical engineering university students concerning instrumental analysis have been established from coordinated tests, tutorial interviews and laboratory lessons. Misconceptions can be divided into: (1) formal, involving specific concepts and formulations within the general frame of chemistry; (2)…

  13. Proteomics Is Analytical Chemistry: Fitness-for-Purpose in the Application of Top-Down and Bottom-Up Analyses.

    PubMed

    Coorssen, Jens R; Yergey, Alfred L

    2015-12-03

    Molecular mechanisms underlying health and disease function at least in part based on the flexibility and fine-tuning afforded by protein isoforms and post-translational modifications. The ability to effectively and consistently resolve these protein species or proteoforms, as well as assess quantitative changes is therefore central to proteomic analyses. Here we discuss the pros and cons of currently available and developing analytical techniques from the perspective of the full spectrum of available tools and their current applications, emphasizing the concept of fitness-for-purpose in experimental design based on consideration of sample size and complexity; this necessarily also addresses analytical reproducibility and its variance. Data quality is considered the primary criterion, and we thus emphasize that the standards of Analytical Chemistry must apply throughout any proteomic analysis.

  14. Proteomics Is Analytical Chemistry: Fitness-for-Purpose in the Application of Top-Down and Bottom-Up Analyses

    PubMed Central

    Coorssen, Jens R.; Yergey, Alfred L.

    2015-01-01

    Molecular mechanisms underlying health and disease function at least in part based on the flexibility and fine-tuning afforded by protein isoforms and post-translational modifications. The ability to effectively and consistently resolve these protein species or proteoforms, as well as assess quantitative changes is therefore central to proteomic analyses. Here we discuss the pros and cons of currently available and developing analytical techniques from the perspective of the full spectrum of available tools and their current applications, emphasizing the concept of fitness-for-purpose in experimental design based on consideration of sample size and complexity; this necessarily also addresses analytical reproducibility and its variance. Data quality is considered the primary criterion, and we thus emphasize that the standards of Analytical Chemistry must apply throughout any proteomic analysis. PMID:28248279

  15. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-03-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. Our goals are twofold. First, we are interested in developing new methods that will enable us to measure important structural parameters in whole coals not directly accessible by other techniques. In parallel with these efforts we will apply these NMR methods in a study of the chemical differences between gas-sourcing and oil-sourcing coals. The NMR methods work will specifically focus on determination of the number and types of methylene groups, determination of the number and types of methane groups, identification of carbons adjacent to nitrogen and sites with exchangeable protons, and methods to more finely characterize the distribution of hydrogen in coals. The motivation for investigating these specific structural features of coals arises from their relevance to the chemical reactivity of coals, and their suitability for possible correlations with the oil sourcing potential of some types of coals. The coals to be studied and contrasted include oil-prone coals from Australia and Indonesia, those comprising the Argonne Premium Coal Sample bank, and other relevant samples. In this report period we have focused our work on 1 segment of the program. Our last report outlined progress in using our NMR editing methods with higher field operation where higher magic angle spinning rates are required. Significant difficulties were identified, and these have been the main subject of study during the most recent granting period.

  16. Advancing Chemistry with the Lanthanide and Actinide Elements: Final Report, September 2013

    SciTech Connect

    Evans, William John

    2013-09-11

    The objective of this research is to use the unique chemistry available from complexes of the lanthanides and actinides, as well as related heavy metals such as scandium, yttrium, and bismuth to advance chemistry in energy-related areas. The lanthanides and actinides have a combination of properties in terms of size, charge, electropositive character, and f valence orbitals that provides special opportunities to probe reactivity and catalysis in ways not possible with the other metals in the periodic table. We seek to discover reaction pathways and structural types that reveal new options in reaction chemistry related to energy. Identification of new paradigms in structure and reactivity should stimulate efforts to develop new types of catalytic processes that at present are not under consideration because either the transformation or the necessary intermediates are unknown.

  17. Advanced Experiments in Nuclear Science, Volume I: Advanced Nuclear Physics and Chemistry Experiments.

    ERIC Educational Resources Information Center

    Duggan, Jerome L.; And Others

    The experiments in this manual represent state-of-the-art techniques which should be within the budgetary constraints of a college physics or chemistry department. There are fourteen experiments divided into five modules. The modules are on X-ray fluorescence, charged particle detection, neutron activation analysis, X-ray attenuation, and…

  18. ASVCP quality assurance guidelines: control of preanalytical, analytical, and postanalytical factors for urinalysis, cytology, and clinical chemistry in veterinary laboratories.

    PubMed

    Gunn-Christie, Rebekah G; Flatland, Bente; Friedrichs, Kristen R; Szladovits, Balazs; Harr, Kendal E; Ruotsalo, Kristiina; Knoll, Joyce S; Wamsley, Heather L; Freeman, Kathy P

    2012-03-01

    In December 2009, the American Society for Veterinary Clinical Pathology (ASVCP) Quality Assurance and Laboratory Standards committee published the updated and peer-reviewed ASVCP Quality Assurance Guidelines on the Society's website. These guidelines are intended for use by veterinary diagnostic laboratories and veterinary research laboratories that are not covered by the US Food and Drug Administration Good Laboratory Practice standards (Code of Federal Regulations Title 21, Chapter 58). The guidelines have been divided into 3 reports: (1) general analytical factors for veterinary laboratory performance and comparisons; (2) hematology, hemostasis, and crossmatching; and (3) clinical chemistry, cytology, and urinalysis. This particular report is one of 3 reports and documents recommendations for control of preanalytical, analytical, and postanalytical factors related to urinalysis, cytology, and clinical chemistry in veterinary laboratories and is adapted from sections 1.1 and 2.2 (clinical chemistry), 1.3 and 2.5 (urinalysis), 1.4 and 2.6 (cytology), and 3 (postanalytical factors important in veterinary clinical pathology) of these guidelines. These guidelines are not intended to be all-inclusive; rather, they provide minimal guidelines for quality assurance and quality control for veterinary laboratory testing and a basis for laboratories to assess their current practices, determine areas for improvement, and guide continuing professional development and education efforts.

  19. The Efficacy of Problem-based Learning in an Analytical Laboratory Course for Pre-service Chemistry Teachers

    NASA Astrophysics Data System (ADS)

    Yoon, Heojeong; Woo, Ae Ja; Treagust, David; Chandrasegaran, AL

    2014-01-01

    The efficacy of problem-based learning (PBL) in an analytical chemistry laboratory course was studied using a programme that was designed and implemented with 20 students in a treatment group over 10 weeks. Data from 26 students in a traditional analytical chemistry laboratory course were used for comparison. Differences in the creative thinking ability of students in both the treatment and control groups were evaluated before and at the end of the implementation of the programme, using the Torrance Tests of Creative Thinking. In addition, changes in students' self-regulated learning skills using the Self-Regulated Learning Interview Schedule (SRLIS) and their self-evaluation proficiency were evaluated. Analysis of covariance showed that the creative thinking ability of the treatment group had improved statistically significantly after the PBL course (p < 0.001) compared to that of the students in the comparison group. PBL was shown to have a positive effect on creative thinking ability. The SRLIS test showed that students in the treatment group used self-regulated learning strategies more frequently than students in the comparison group. According to the results of the self-evaluation, students became more positive and confident in problem-solving and group work as the semester progressed. Overall, PBL was shown to be an effective pedagogical instructional strategy for enhancing chemistry students' creative thinking ability, self-regulated learning skills and self-evaluation.

  20. The influence of surface chemistry on GSR particles: using XPS to complement SEM/EDS analytical techniques

    NASA Astrophysics Data System (ADS)

    Schwoeble, A. J.; Strohmeier, Brian R.; Piasecki, John D.

    2010-06-01

    Gunshot residue particles (GSR) were examined using scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) to illustrate the size, shape, morphology, and elemental composition normally observed in particulate resulting from a discharged firearm. Determining the presence of lead (Pb), antimony (Sb), and barium (Ba), barring other elemental tags, fused together in a single particle with the correct morphology, is all that is required for the positive identification of GSR. X-ray photoelectron spectroscopy (XPS), however, can reveal more detailed information on surface chemistry than SEM/EDS. XPS is a highly surface-sensitive (<= ~10 nm), non-destructive, analytical technique that provides qualitative information for all elements except hydrogen and helium. Nanometer-scale sampling depth and its ability to provide unique chemical state information make XPS a potential technique for providing important knowledge on the surface chemistry of GSR that complements results obtained from SEM/EDS analysis.

  1. Analytical Chemistry Division annual progress report for period ending December 31, 1979

    SciTech Connect

    Shults, W.D.; Lyon, W.S.

    1980-05-01

    The progress is reported in the following sections: analytical methodology, mass and emission spectrometry, technical support, bio-organic analysis, nuclear and radiochemical analysis, and quality assurance. (DLC)

  2. The Abbott Architect c8000: analytical performance and productivity characteristics of a new analyzer applied to general chemistry testing.

    PubMed

    Pauli, Daniela; Seyfarth, Michael; Dibbelt, Leif

    2005-01-01

    Applying basic potentiometric and photometric assays, we evaluated the fully automated random access chemistry analyzer Architect c8000, a new member of the Abbott Architect system family, with respect to both its analytical and operational performance and compared it to an established high-throughput chemistry platform, the Abbott Aeroset. Our results demonstrate that intra- and inter-assay imprecision, inaccuracy, lower limit of detection and linear range of the c8000 generally meet actual requirements of laboratory diagnosis; there were only rare exceptions, e.g. assays for plasma lipase or urine uric acid which apparently need to be improved by additional rinsing of reagent pipettors. Even with plasma exhibiting CK activities as high as 40.000 U/l, sample carryover by the c8000 could not be detected. Comparison of methods run on the c8000 and the Aeroset revealed correlation coefficients of 0.98-1.00; if identical chemistries were applied on both analyzers, slopes of regression lines approached unity. With typical laboratory workloads including 10-20% STAT samples and up to 10% samples with high analyte concentrations demanding dilutional reruns, steady-state throughput numbers of 700 to 800 tests per hour were obtained with the c8000. The system generally responded to STAT orders within 2 minutes yielding analytical STAT order completion times of 5 to 15 minutes depending on the type and number of assays requested per sample. Due to its extended test and sample processing capabilities and highly comfortable software, the c8000 may meet the varying needs of clinical laboratories rather well.

  3. Introduction to Homogenous Catalysis with Ruthenium-Catalyzed Oxidation of Alcohols: An Experiment for Undergraduate Advanced Inorganic Chemistry Students

    ERIC Educational Resources Information Center

    Miecznikowski, John R.; Caradonna, John P.; Foley, Kathleen M.; Kwiecien, Daniel J.; Lisi, George P.; Martinez, Anthony M.

    2011-01-01

    A three-week laboratory experiment, which introduces students in an advanced inorganic chemistry course to air-sensitive chemistry and catalysis, is described. During the first week, the students synthesize RuCl[subscript 2](PPh[subscript 3])[subscript 3]. During the second and third weeks, the students characterize the formed coordination…

  4. High School Students' Attitudes and Beliefs on Using the Science Writing Heuristic in an Advanced Placement Chemistry Class

    ERIC Educational Resources Information Center

    Putti, Alice

    2011-01-01

    This paper discusses student attitudes and beliefs on using the Science Writing Heuristic (SWH) in an advanced placement (AP) chemistry classroom. During the 2007 school year, the SWH was used in a class of 24 AP chemistry students. Using a Likert-type survey, student attitudes and beliefs on the process were determined. Methods for the study are…

  5. Gas-Phase Chemistry of Multiply Charged Bioions in Analytical Mass Spectrometry

    PubMed Central

    Huang, Teng-Yi; McLuckey, Scott A.

    2011-01-01

    Ion chemistry has long played an important role in molecular mass spectrometry (MS), as it is central to the use of MS as a structural characterization tool. With the advent of ionization methods capable of producing gaseous ions from large biomolecules, the chemistry of gaseous bioions has become a highly active area of research. Gas-phase biomolecule-ion reactions are usually driven by interactions with neutral molecules, photons, electrons, ions, or surfaces. Ion dissociation or transformation into different ion types can be achieved. The types of reaction products observed depend on the characteristics of the ions, the transformation methods, and the time frame of observation. This review focuses on the gas-phase chemistries of ions derived from the electrospray ionization of peptides, proteins, and oligonucleotides, with particular emphasis on their utility in bioanalysis. Various ion-transformation strategies, which further facilitate structural interrogation by converting ions from one type to another, are also summarized. PMID:20636047

  6. Analytical investigation of thermal barrier coatings on advanced power generation gas turbines

    NASA Technical Reports Server (NTRS)

    Amos, D. J.

    1977-01-01

    An analytical investigation of present and advanced gas turbine power generation cycles incorporating thermal barrier turbine component coatings was performed. Approximately 50 parametric points considering simple, recuperated, and combined cycles (including gasification) with gas turbine inlet temperatures from current levels through 1644K (2500 F) were evaluated. The results indicated that thermal barriers would be an attractive means to improve performance and reduce cost of electricity for these cycles. A recommended thermal barrier development program has been defined.

  7. Incorporating Course-Based Undergraduate Research Experiences into Analytical Chemistry Laboratory Curricula

    ERIC Educational Resources Information Center

    Kerr, Melissa A.; Yan, Fei

    2016-01-01

    A continuous effort within an undergraduate university setting is to improve students' learning outcomes and thus improve students' attitudes about a particular field of study. This is undoubtedly relevant within a chemistry laboratory. This paper reports the results of an effort to introduce a problem-based learning strategy into the analytical…

  8. A Multidisciplinary Science Summer Camp for Students with Emphasis on Environmental and Analytical Chemistry

    ERIC Educational Resources Information Center

    Schwarz, Gunnar; Frenzel, Wolfgang; Richter, Wolfgang M.; Ta¨uscher, Lothar; Kubsch, Georg

    2016-01-01

    This paper presents the course of events of a five-day summer camp on environmental chemistry with high emphasis on chemical analysis. The annual camp was optional and open for students of all disciplines and levels. The duration of the summer camp was five and a half days in the Feldberg Lake District in northeast Germany (federal state of…

  9. Using Cooperative Learning to Teach Chemistry: A Meta-Analytic Review

    ERIC Educational Resources Information Center

    Warfa, Abdi-Rizak M.

    2016-01-01

    A meta-analysis of recent quantitative studies that examine the effects of cooperative learning (CL) on achievement outcomes in chemistry is presented. Findings from 25 chemical education studies involving 3985 participants (N[subscript treatment] = 1,845; N[subscript control] = 2,140) and published since 2001 show positive association between…

  10. Opening Remarks for "Analytical Chemistry, Monitoring, and Environmental Fate and Transport" Session at Fluoros 2015

    EPA Science Inventory

    There have been a number of revolutionary developments during the past decade that have led to a much more comprehensive understanding of per- and polyfluoroalkyl substances (PFASs) in the environment. Improvements in analytical instrumentation have made liquid chromatography tri...

  11. Recent Advances in the Chemistry and Biology of Naturally Occurring Antibiotics

    PubMed Central

    Chen, Jason S.; Edmonds, David J.; Estrada, Anthony A.

    2009-01-01

    Lead-in Ever since the world-shaping discovery of penicillin, nature’s molecular diversity has been extensively screened for new medications and lead compounds in drug discovery. The search for anti-infective agents intended to combat infectious diseases has been of particular interest and has enjoyed a high degree of success. Indeed, the history of antibiotics is marked with impressive discoveries and drug development stories, the overwhelming majority of which have their origins in nature. Chemistry, and in particular chemical synthesis, has played a major role in bringing naturally occurring antibiotics and their derivatives to the clinic, and no doubt these disciplines will continue to be key enabling technologies for future developments in the field. In this review article, we highlight a number of recent discoveries and advances in the chemistry, biology, and medicine of naturally occurring antibiotics, with particular emphasis on the total synthesis, analog design, and biological evaluation of molecules with novel mechanisms of action. PMID:19130444

  12. Selected clinical chemistry analytes correlate with the pathogenesis of inclusion body hepatitis experimentally induced by fowl aviadenoviruses.

    PubMed

    Matos, Miguel; Grafl, Beatrice; Liebhart, Dieter; Schwendenwein, Ilse; Hess, Michael

    2016-10-01

    In the present study, clinical chemistry was applied to assess the pathogenesis and progression of experimentally induced inclusion body hepatitis (IBH). For this, five fowl aviadenovirus (FAdV) strains from recent IBH field outbreaks were used to orally inoculate different groups of day-old specific pathogen-free chickens, which were weighed, sampled and examined during necropsy by sequential killing. Mortalities of 50% and 30% were recorded in two groups between 6 and 9 days post-infection (dpi), along with a decreased weight of 23% and 20%, respectively, compared to the control group. Macroscopical changes were seen in the liver and kidney between 6 and 10 dpi, with no lesions being observed in the other organs. Histological lesions were observed in the liver and pancreas during the same period. Plasma was collected from killed birds of each group at each time point and the following clinical chemistry analytes were investigated: aspartate aminotransferase (AST), glutamate dehydrogenase (GLDH), bile acids, total protein, albumin, uric acid and lipase. Plasma protein profile, AST and GLDH, together with bile acids values paralleled the macroscopical and histopathological lesions in the liver, while plasma lipase activity levels coincided with lesions observed in pancreas. In agreement with the histology and clinical chemistry, viral load in the target organs, liver and pancreas, was highest at 7 dpi. Thus, clinical chemistry was found to be a valuable tool in evaluating and monitoring the progression of IBH in experimentally infected birds, providing a deeper knowledge of the underlying pathophysiological mechanisms of a FAdV infection in chickens.

  13. Undergraduate Professional Education in Chemistry: Guidelines and Evaluation Procedures.

    ERIC Educational Resources Information Center

    American Chemical Society, Washington, DC.

    Provided are guidelines for evaluating undergraduate professional education in chemistry. The guidelines summarize an approved program as including: 400 hours of classroom work; 500 hours of laboratory work; a core curriculum covering principles of analytical, inorganic, organic, and physical chemistry; 1 year of advanced work in chemistry or…

  14. Review: gas-phase ion chemistry of the noble gases: recent advances and future perspectives.

    PubMed

    Grandinetti, Felice

    2011-01-01

    This review article surveys recent experimental and theoretical advances in the gas-phase ion chemistry of the noble gases. Covered issues include the interaction of the noble gases with metal and non-metal cations, the conceivable existence of covalent noble-gas anions, the occurrence of ion-molecule reactions involving singly-charged xenon cations, and the occurrence of bond-forming reactions involving doubly-charged cations. Research themes are also highlighted, that are expected to attract further interest in the future.

  15. Analytical Verifications in Cryogenic Testing of NGST Advanced Mirror System Demonstrators

    NASA Technical Reports Server (NTRS)

    Cummings, Ramona; Levine, Marie; VanBuren, Dave; Kegley, Jeff; Green, Joseph; Hadaway, James; Presson, Joan; Cline, Todd; Stahl, H. Philip (Technical Monitor)

    2002-01-01

    Ground based testing is a critical and costly part of component, assembly, and system verifications of large space telescopes. At such tests, however, with integral teamwork by planners, analysts, and test personnel, segments can be included to validate specific analytical parameters and algorithms at relatively low additional cost. This paper opens with strategy of analytical verification segments added to vacuum cryogenic testing of Advanced Mirror System Demonstrator (AMSD) assemblies. These AMSD assemblies incorporate material and architecture concepts being considered in the Next Generation Space Telescope (NGST) design. The test segments for workmanship testing, cold survivability, and cold operation optical throughput are supplemented by segments for analytical verifications of specific structural, thermal, and optical parameters. Utilizing integrated modeling and separate materials testing, the paper continues with support plan for analyses, data, and observation requirements during the AMSD testing, currently slated for late calendar year 2002 to mid calendar year 2003. The paper includes anomaly resolution as gleaned by authors from similar analytical verification support of a previous large space telescope, then closes with draft of plans for parameter extrapolations, to form a well-verified portion of the integrated modeling being done for NGST performance predictions.

  16. Instrumental Analysis of Biodiesel Content in Commercial Diesel Blends: An Experiment for Undergraduate Analytical Chemistry

    ERIC Educational Resources Information Center

    Feng, Z. Vivian; Buchman, Joseph T.

    2012-01-01

    The potential of replacing petroleum fuels with renewable biofuels has drawn significant public interest. Many states have imposed biodiesel mandates or incentives to use commercial biodiesel blends. We present an inquiry-driven experiment where students are given the tasks to gather samples, develop analytical methods using various instrumental…

  17. The intrinsic fluorescence of FAD and its application in analytical chemistry: a review.

    PubMed

    Galbán, Javier; Sanz-Vicente, Isabel; Navarro, Jesús; de Marcos, Susana

    2016-12-19

    This review (with 106 references) mainly deals with the analytical applications of flavin-adenine dinucleotide (FAD) fluorescence. In the first section, the spectroscopic properties of this compound are reviewed at the light of his different acid-base, oxidation and structural forms; the chemical and spectroscopic properties of flavin mononucleotide (FMN) and other flavins will be also briefly discussed. The second section discusses how the properties of FAD fluorescence changes in flavoenzymes (FvEs), again considering the different chemical and structural forms; the glucose oxidase (GOx) and the choline oxidase (ChOx) cases will be commented. Since almost certainly the most reported analytical application of FAD fluorescence is as an auto-indicator in enzymatic methods catalysed by FvE oxidoreductases, it is important to know how the concentrations of the different forms of FAD changes along the reaction and, consequently, the fluorescence and the analytical signals. An approach to do this will be presented in section 3. The fourth part of the paper compiles the analytical applications which have been reported until now based in these fluorescence properties. Finally, some suggestions about tentative future research are also given.

  18. Analytical Chemistry Division. Annual progress report for period ending December 31, 1980

    SciTech Connect

    Lyon, W.S.

    1981-05-01

    This report is divided into: analytical methodology; mass and emission spectrometry; technical support; bio/organic analysis; nuclear and radiochemical analysis; quality assurance, safety, and tabulation of analyses; supplementary activities; and presentation of research results. Separate abstracts were prepared for the technical support, bio/organic analysis, and nuclear and radiochemical analysis. (DLC)

  19. Data Acquisition Programming (LabVIEW): An Aid to Teaching Instrumental Analytical Chemistry.

    ERIC Educational Resources Information Center

    Gostowski, Rudy

    A course was developed at Austin Peay State University (Tennessee) which offered an opportunity for hands-on experience with the essential components of modern analytical instruments. The course aimed to provide college students with the skills necessary to construct a simple model instrument, including the design and fabrication of electronic…

  20. Analytical Chemistry Division annual progress report for period ending December 31, 1984

    SciTech Connect

    Lyon, W.S.

    1985-04-01

    Progress reports are presented for the following sections: analytical methodology; mass and emission spectroscopy; radioactive materials analysis; bio/organic analysis; and general and environmental analysis; quality assurance, safety, and tabulation analyses. In addition a list of publications and oral presentations and supplemental activities are included.

  1. Analytical Chemistry Division annual progress report for period ending December 31, 1983

    SciTech Connect

    Lyon, W.S.

    1984-05-01

    Progress and activities are reported in: analytical methodology, mass and emission spectrometry, radioactive materials analysis, bio/organic analysis, general and environmental analysis, and quality assurance and safety. Supplementary activities are also discussed, and a bibliography of publications is also included. (DLC)

  2. Charge Density Quantification of Polyelectrolyte Polysaccharides by Conductometric Titration: An Analytical Chemistry Experiment

    ERIC Educational Resources Information Center

    Farris, Stefano; Mora, Luigi; Capretti, Giorgio; Piergiovanni, Luciano

    2012-01-01

    An easy analytical method for determination of the charge density of polyelectrolytes, including polysaccharides and other biopolymers, is presented. The basic principles of conductometric titration, which is used in the pulp and paper industry as well as in colloid and interface science, were adapted to quantify the charge densities of a…

  3. Thirty-seventh ORNL/DOE conference on analytical chemistry in energy technology: Abstracts of papers

    SciTech Connect

    1997-12-31

    Abstracts only are given for papers presented during the following topical sessions: Opportunities for collaboration: Industry, academic, national laboratories; Developments in sensor technology; Analysis in containment facilities; Improving the quality of environmental data; Process analysis; Field analysis; Radiological separations; Interactive analytical seminars; Measurements and chemical industry initiatives; and Isotopic measurements and mass spectroscopy.

  4. Structural Isomer Identification via NMR: A Nuclear Magnetic Resonance Experiment for Organic, Analytical, or Physical Chemistry.

    ERIC Educational Resources Information Center

    Szafran, Zvi

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment that examines the ability of nuclear magnetic resonance (NMR) to distinguish between structural isomers via resonance multiplicities and chemical shifts. Reasons for incorporating the experiment into organic, analytical, or physical chemistry…

  5. The intrinsic fluorescence of FAD and its application in analytical chemistry: a review

    NASA Astrophysics Data System (ADS)

    Galbán, Javier; Sanz-Vicente, Isabel; Navarro, Jesús; de Marcos, Susana

    2016-12-01

    This review (with 106 references) mainly deals with the analytical applications of flavin-adenine dinucleotide (FAD) fluorescence. In the first section, the spectroscopic properties of this compound are reviewed at the light of his different acid-base, oxidation and structural forms; the chemical and spectroscopic properties of flavin mononucleotide (FMN) and other flavins will be also briefly discussed. The second section discusses how the properties of FAD fluorescence changes in flavoenzymes (FvEs), again considering the different chemical and structural forms; the glucose oxidase (GOx) and the choline oxidase (ChOx) cases will be commented. Since almost certainly the most reported analytical application of FAD fluorescence is as an auto-indicator in enzymatic methods catalysed by FvE oxidoreductases, it is important to know how the concentrations of the different forms of FAD changes along the reaction and, consequently, the fluorescence and the analytical signals. An approach to do this will be presented in section 3. The fourth part of the paper compiles the analytical applications which have been reported until now based in these fluorescence properties. Finally, some suggestions about tentative future research are also given.

  6. Advances in methods and algorithms in a modern quantum chemistry program package.

    PubMed

    Shao, Yihan; Molnar, Laszlo Fusti; Jung, Yousung; Kussmann, Jörg; Ochsenfeld, Christian; Brown, Shawn T; Gilbert, Andrew T B; Slipchenko, Lyudmila V; Levchenko, Sergey V; O'Neill, Darragh P; DiStasio, Robert A; Lochan, Rohini C; Wang, Tao; Beran, Gregory J O; Besley, Nicholas A; Herbert, John M; Lin, Ching Yeh; Van Voorhis, Troy; Chien, Siu Hung; Sodt, Alex; Steele, Ryan P; Rassolov, Vitaly A; Maslen, Paul E; Korambath, Prakashan P; Adamson, Ross D; Austin, Brian; Baker, Jon; Byrd, Edward F C; Dachsel, Holger; Doerksen, Robert J; Dreuw, Andreas; Dunietz, Barry D; Dutoi, Anthony D; Furlani, Thomas R; Gwaltney, Steven R; Heyden, Andreas; Hirata, So; Hsu, Chao-Ping; Kedziora, Gary; Khalliulin, Rustam Z; Klunzinger, Phil; Lee, Aaron M; Lee, Michael S; Liang, Wanzhen; Lotan, Itay; Nair, Nikhil; Peters, Baron; Proynov, Emil I; Pieniazek, Piotr A; Rhee, Young Min; Ritchie, Jim; Rosta, Edina; Sherrill, C David; Simmonett, Andrew C; Subotnik, Joseph E; Woodcock, H Lee; Zhang, Weimin; Bell, Alexis T; Chakraborty, Arup K; Chipman, Daniel M; Keil, Frerich J; Warshel, Arieh; Hehre, Warren J; Schaefer, Henry F; Kong, Jing; Krylov, Anna I; Gill, Peter M W; Head-Gordon, Martin

    2006-07-21

    Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by the broader chemical community. This work reviews advances made over the past five years or so that constitute the major improvements contained in a new release of the Q-Chem quantum chemistry package, together with illustrative timings and applications. Specific developments discussed include fast methods for density functional theory calculations, linear scaling evaluation of energies, NMR chemical shifts and electric properties, fast auxiliary basis function methods for correlated energies and gradients, equation-of-motion coupled cluster methods for ground and excited states, geminal wavefunctions, embedding methods and techniques for exploring potential energy surfaces.

  7. New test techniques and analytical procedures for understanding the behavior of advanced propellers

    NASA Technical Reports Server (NTRS)

    Stefko, G. L.; Bober, L. J.; Neumann, H. E.

    1983-01-01

    Analytical procedures and experimental techniques were developed to improve the capability to design advanced high speed propellers. Some results from the propeller lifting line and lifting surface aerodynamic analysis codes are compared with propeller force data, probe data and laser velocimeter data. In general, the code comparisons with data indicate good qualitative agreement. A rotating propeller force balance demonstrated good accuracy and reduced test time by 50 percent. Results from three propeller flow visualization techniques are shown which illustrate some of the physical phenomena occurring on these propellers.

  8. Analytical studies of advanced high-field designs: 20-tesla large-bore superconducting magnets

    SciTech Connect

    Hoard, R.W.; Cornish, D.N.; Scanlan, R.M.; Zbasnik, J.P.; Leber, R.L.; Hickman, R.B.; Lee, J.D.

    1983-09-30

    Several emerging technologies have been combined in a conceptual design study demonstrating the feasibility of producing ultrahigh magnetic fields from large-bore superconducting solenoid magnets. Several designs have been produced that approach peak fields of 20-T in 2.0-m diameter inner bores. The analytical expressions comprising the main features of CONDUCTOR and ADVMAGNET, the two computer programs used in the design of these advanced magnets, are also discussed. These magnets and design techniques will make a paramount contribution to the national mirror-fusion endeavor and to the newly emerging field of nuclear magnetic resonance (NMR) whole-body scanners.

  9. A Study on Advanced Lithium-Based Battery Cell Chemistries to Enhance Lunar Exploration Missions

    NASA Technical Reports Server (NTRS)

    Reid, Concha; Bennett, William

    2009-01-01

    NASA's Exploration Technology Development Program (ETDP) Energy Storage Project conducted an advanced lithium-based battery chemistry feasibility study to determine the best advanced chemistry to develop for the Altair lunar lander and the Extravehicular Activities (EVA) advanced lunar surface spacesuit. These customers require safe, reliable energy storage systems with extremely high specific energy as compared to today's state-of-the-art batteries. Based on customer requirements, the specific energy goals for the development project are 220 watt-hours per kilogram (Wh/kg) delivered at the battery level at 0 degrees Celsius (degrees Celcius) at a C/10 discharge rate. Continuous discharge rates between C/5 and C/2, operation over 0 to 30 degrees C, and 200 cycles are targeted. The team, consisting of members from NASA Glenn Research Center, Johnson Space Center, and Jet Propulsion laboratory, surveyed the literature, compiled information on recent materials developments, and consulted with other battery experts in the community to identify advanced battery materials that might be capable of achieving the desired results with further development. A variety of electrode materials were considered, including layered metal oxides, spinel oxides, and olivine-type cathode materials, and lithium metal, lithium alloy, and silicon-based composite anode materials. lithium-sulfur systems were also considered. Hypothetical cell constructs that combined compatible anode and cathode materials with suitable electrolytes, separators, current collectors, headers, and cell enclosures were modeled. While some of these advanced materials are projected to obtain the desired electrical performance, there are risks that also factored into the decision making process. The risks include uncertainties due to issues such as safety of a system containing some of these materials, ease of scaling-up of large batches of raw materials, adaptability of the materials to processing using established

  10. Peroxide induced ultra-weak chemiluminescence and its application in analytical chemistry.

    PubMed

    Lin, Zhen; Chen, Hui; Lin, Jin-Ming

    2013-09-21

    Chemiluminescence (CL), as a sensitive, rapid, and facile analytical method, has been widely applied in environmental monitoring, clinical diagnosis and food safety. Recently, the main challenge and research interest in the CL study have been focused on exploring new CL systems and obtaining new insight into the interaction between CL reagents. The peroxide induced ultra-weak CL reactions are some new arising systems that have received great attention and have been successfully applied in many fields. The peroxide includes hydrogen peroxide, peroxynitrite, peroxymonocarbonate, peroxomonosulphate and so on. This review paper covers the mechanism of the peroxide induced ultra-weak CL and the analytical applications of the CL have also been summarized. The future prospects for the peroxide induced ultra-weak CL are discussed.

  11. Analytical model for ring heater thermal compensation in the Advanced Laser Interferometer Gravitational-wave Observatory.

    PubMed

    Ramette, Joshua; Kasprzack, Marie; Brooks, Aidan; Blair, Carl; Wang, Haoyu; Heintze, Matthew

    2016-04-01

    Advanced laser interferometer gravitational-wave detectors use high laser power to achieve design sensitivity. A small part of this power is absorbed in the interferometer cavity mirrors where it creates thermal lenses, causing aberrations in the main laser beam that must be minimized by the actuation of "ring heaters," which are additional heater elements that are aimed to reduce the temperature gradients in the mirrors. In this article we derive the first, to the best of our knowledge, analytical model of the temperature field generated by an ideal ring heater. We express the resulting optical aberration contribution to the main laser beam in this axisymmetric case. Used in conjunction with wavefront measurements, our model provides a more complete understanding of the thermal state of the cavity mirrors and will allow a more efficient use of the ring heaters in the Advanced Laser Interferometer Gravitational-wave Observatory.

  12. Computerized real-time quality control program for analytical chemistry laboratories

    SciTech Connect

    Dill, M.S.; Floyd, M.A.; Morrow, R.W.

    1985-10-01

    A unique computer program has been developed for complete quality control/quality assurance of the operation and statistical control of the testing in the analytical laboratory. The system operates similar to a scanner on a production line with effective checkpoints and furnishes immediate feedback by automatically generated mail messages to appropriate personnel when any non-conformance is encountered. Corrective action is required by the technician prior to proceeding with the analysis.

  13. Analyzing DNA Nanotechnology: A Call to Arms For The Analytical Chemistry Community.

    PubMed

    Mathur, Divita; Medintz, Igor L

    2017-03-07

    In order to fully realize the potential of DNA nanotechnology, it is crucial to overcome the lack of robust analytical techniques that continue to hinder the purification and characterization of DNA-based structures. In this Feature, we provide a snapshot of the current state of metrological techniques in DNA nanotechnology and look forward to emerging technologies that may offer new ways to probe and visualize these complex structures.

  14. Analysis of Volatile Compounds by Advanced Analytical Techniques and Multivariate Chemometrics.

    PubMed

    Lubes, Giuseppe; Goodarzi, Mohammad

    2017-03-17

    Smelling is one of the five senses, which plays an important role in our everyday lives. Volatile compounds are, for example, characteristics of food where some of them can be perceivable by humans because of their aroma. They have a great influence on the decision making of consumers when they choose to use a product or not. In the case where a product has an offensive and strong aroma, many consumers might not appreciate it. On the contrary, soft and fresh natural aromas definitely increase the acceptance of a given product. These properties can drastically influence the economy; thus, it has been of great importance to manufacturers that the aroma of their food product is characterized by analytical means to provide a basis for further optimization processes. A lot of research has been devoted to this domain in order to link the quality of, e.g., a food to its aroma. By knowing the aromatic profile of a food, one can understand the nature of a given product leading to developing new products, which are more acceptable by consumers. There are two ways to analyze volatiles: one is to use human senses and/or sensory instruments, and the other is based on advanced analytical techniques. This work focuses on the latter. Although requirements are simple, low-cost technology is an attractive research target in this domain; most of the data are generated with very high-resolution analytical instruments. Such data gathered based on different analytical instruments normally have broad, overlapping sensitivity profiles and require substantial data analysis. In this review, we have addressed not only the question of the application of chemometrics for aroma analysis but also of the use of different analytical instruments in this field, highlighting the research needed for future focus.

  15. Comparison of the single channel and multichannel (multivariate) concepts of selectivity in analytical chemistry.

    PubMed

    Dorkó, Zsanett; Verbić, Tatjana; Horvai, George

    2015-07-01

    Different measures of selectivity are in use for single channel and multichannel linear analytical measurements, respectively. It is important to understand that these two measures express related but still distinctly different features of the respective measurements. These relationships are clarified by introducing new arguments. The most widely used selectivity measure of multichannel linear methods (which is based on the net analyte signal, NAS, concept) expresses the sensitivity to random errors of a determination where all bias from interferents is computationally eliminated using pure component spectra. The conventional selectivity measure of single channel linear measurements, on the other hand, helps to estimate the bias caused by an interferent in a biased measurement. In single channel methods expert knowledge about the samples is used to limit the possible range of interferent concentrations. The same kind of expert knowledge allows improved (lower mean squared error, MSE) analyte determinations also in "classical" multichannel measurements if those are intractable due to perfect collinearity or to high noise inflation. To achieve this goal bias variance tradeoff is employed, hence there remains some bias in the results and therefore the concept of single channel selectivity can be extended in a natural way to multichannel measurements. This extended definition and the resulting selectivity measure can also be applied to the so-called inverse multivariate methods like partial least squares regression (PLSR), principal component regression (PCR) and ridge regression (RR).

  16. THE ROLE OF RAMAN SPECTROSCOPY IN THE ANALYTICAL CHEMISTRY OF POTABLE WATER

    EPA Science Inventory

    Advances in instrumentation are making Raman spectroscopy the tool of choice for an increasing number of chemical applications. For example, many recalcitrant industrial-process monitoring problems have been solved in recent years with in-line Raman spectrometers. Raman is attr...

  17. THE ROLE OF RAMAN SPECTROSCOPY IN THE ANALYTICAL CHEMISTRY OF POTABLE WATER

    EPA Science Inventory

    Advances in instrumentation are making Raman spectroscopy the tool of choice for an increasing number of chemical applications. For example, many recalcitrant industrial process monitoring problems have been solved in recent years with in-line Raman spectrometers. Raman is attr...

  18. Construction of Protein-Based Biosensors Using Ligand-Directed Chemistry for Detecting Analyte Binding.

    PubMed

    Yamaura, Kei; Kiyonaka, Shigeki; Hamachi, Itaru

    2017-01-01

    Protein-based fluorescent biosensors are powerful tools for quantitative detection of biomolecules or drugs with high sensitivity under physiological conditions. However, conventional methods for construction of biosensors require structural data with high resolution or amino acid sequence information in most cases, which hampers applicability of this method to structurally complicated receptor proteins. To sidestep such limitations, we recently developed a new method that employs ligand-directed chemistry coupled with a bimolecular fluorescence quenching and recovery system, which enabled the conversion of various kinds of membrane-bound receptors to "turn-on" type fluorescent sensors. Here, we describe a protocol for construction of "turn-on" type fluorescent biosensors based on the GABAA receptor which permits quantitative analysis of the ligand affinity.

  19. Analytical Chemistry Developmental Work Using a 243Am Solution

    SciTech Connect

    Spencer, Khalil J.; Stanley, Floyd E.; Porterfield, Donivan R.; Castro, Alonso

    2015-02-24

    This project seeks to reestablish our analytical capability to characterize Am bulk material and develop a reference material suitable to characterizing the purity and assay of 241Am oxide for industrial use. The tasks associated with this phase of the project included conducting initial separations experiments, developing thermal ionization mass spectrometry capability using the 243Am isotope as an isotope dilution spike , optimizing the spike for the determination of 241Pu-241 Am radiochemistry, and, additionally, developing and testing a methodology which can detect trace to ultra- trace levels of Pu (both assay and isotopics) in bulk Am samples .

  20. The development of paper microzone-based green analytical chemistry methods for determining the quality of wines.

    PubMed

    Vaher, M; Kaljurand, M

    2012-08-01

    The colorimetric determination of the concentration of polyphenols, flavonoids, and anthocyanins in wine samples, using a mobile phone camera for sample spot capture on a paper microzone and a remote computer with dedicated software for quantification, is presented as an illustrative application of green analytical chemistry. A comparison of the results with conventional spectrophotometry demonstrates that both methods yield similar results. Developing the assay took approximately 2 months, and the use of chemicals, compared with spectrophotometry, was reduced by about two orders of magnitude: the paper assay consumed 0.4 mL of reagent for 100 samples, whereas the spectrophotometric assay required 100 mL. The relative testing times for 100 samples were 7 h by spectrophotometry and 2 h for paper-a savings on the order of 3.5. No analytical instrumentation was used for the colorimetry on paper microzones. Instead, the assay took advantage of the existing communication technology and free software. The assay was found to be effective, with a nonlinear response at the concentration range of 0.2-5 g/L. The detection limit of the proposed method is in sub-grams per liter.

  1. Photography by Cameras Integrated in Smartphones as a Tool for Analytical Chemistry Represented by an Butyrylcholinesterase Activity Assay.

    PubMed

    Pohanka, Miroslav

    2015-06-11

    Smartphones are popular devices frequently equipped with sensitive sensors and great computational ability. Despite the widespread availability of smartphones, practical uses in analytical chemistry are limited, though some papers have proposed promising applications. In the present paper, a smartphone is used as a tool for the determination of cholinesterasemia i.e., the determination of a biochemical marker butyrylcholinesterase (BChE). The work should demonstrate suitability of a smartphone-integrated camera for analytical purposes. Paper strips soaked with indoxylacetate were used for the determination of BChE activity, while the standard Ellman's assay was used as a reference measurement. In the smartphone-based assay, BChE converted indoxylacetate to indigo blue and coloration was photographed using the phone's integrated camera. A RGB color model was analyzed and color values for the individual color channels were determined. The assay was verified using plasma samples and samples containing pure BChE, and validated using Ellmans's assay. The smartphone assay was proved to be reliable and applicable for routine diagnoses where BChE serves as a marker (liver function tests; some poisonings, etc.). It can be concluded that the assay is expected to be of practical applicability because of the results' relevance.

  2. Photography by Cameras Integrated in Smartphones as a Tool for Analytical Chemistry Represented by an Butyrylcholinesterase Activity Assay

    PubMed Central

    Pohanka, Miroslav

    2015-01-01

    Smartphones are popular devices frequently equipped with sensitive sensors and great computational ability. Despite the widespread availability of smartphones, practical uses in analytical chemistry are limited, though some papers have proposed promising applications. In the present paper, a smartphone is used as a tool for the determination of cholinesterasemia i.e., the determination of a biochemical marker butyrylcholinesterase (BChE). The work should demonstrate suitability of a smartphone-integrated camera for analytical purposes. Paper strips soaked with indoxylacetate were used for the determination of BChE activity, while the standard Ellman’s assay was used as a reference measurement. In the smartphone-based assay, BChE converted indoxylacetate to indigo blue and coloration was photographed using the phone’s integrated camera. A RGB color model was analyzed and color values for the individual color channels were determined. The assay was verified using plasma samples and samples containing pure BChE, and validated using Ellmans’s assay. The smartphone assay was proved to be reliable and applicable for routine diagnoses where BChE serves as a marker (liver function tests; some poisonings, etc.). It can be concluded that the assay is expected to be of practical applicability because of the results’ relevance. PMID:26110404

  3. ICL-Based OF-CEAS: A Sensitive Tool for Analytical Chemistry.

    PubMed

    Manfred, Katherine M; Hunter, Katharine M; Ciaffoni, Luca; Ritchie, Grant A D

    2017-01-03

    Optical-feedback cavity-enhanced absorption spectroscopy (OF-CEAS) using mid-infrared interband cascade lasers (ICLs) is a sensitive technique for trace gas sensing. The setup of a V-shaped optical cavity operating with a 3.29 μm cw ICL is detailed, and a quantitative characterization of the injection efficiency, locking stability, mode matching, and detection sensitivity is presented. The experimental data are supported by a model to show how optical feedback affects the laser frequency as it is scanned across several longitudinal modes of the optical cavity. The model predicts that feedback enhancement effects under strongly absorbing conditions can cause underestimations in the measured absorption, and these predictions are verified experimentally. The technique is then used in application to the detection of nitrous oxide as an exemplar of the utility of this technique for analytical gas phase spectroscopy. The analytical performance of the spectrometer, expressed as noise equivalent absorption coefficient, was estimated as 4.9 × 10(-9) cm (-1) Hz(-1/2), which compares well with recently reported values.

  4. ELISA and GC-MS as Teaching Tools in the Undergraduate Environmental Analytical Chemistry Laboratory

    NASA Astrophysics Data System (ADS)

    Wilson, Ruth I.; Mathers, Dan T.; Mabury, Scott A.; Jorgensen, Greg M.

    2000-12-01

    An undergraduate experiment for the analysis of potential water pollutants is described. Students are exposed to two complementary techniques, ELISA and GC-MS, for the analysis of a water sample containing atrazine, desethylatrazine, and simazine. Atrazine was chosen as the target analyte because of its wide usage in North America and its utility for students to predict environmental degradation products. The water sample is concentrated using solid-phase extraction for GC-MS, or diluted and analyzed using a competitive ELISA test kit for atrazine. The nature of the water sample is such that students generally find that ELISA gives an artificially high value for the concentration of atrazine. Students gain an appreciation for problems associated with measuring pollutants in the aqueous environment: sensitivity, accuracy, precision, and ease of analysis. This undergraduate laboratory provides an opportunity for students to learn several new analysis and sample preparation techniques and to critically evaluate these methods in terms of when they are most useful.

  5. Developments in Analytical Chemistry: Acoustically Levitated Drop Reactors for Enzyme Reaction Kinetics and Single-Walled Carbon Nanotube-Based Sensors for Detection of Toxic Organic Phosphonates

    ERIC Educational Resources Information Center

    Field, Christopher Ryan

    2009-01-01

    Developments in analytical chemistry were made using acoustically levitated small volumes of liquid to study enzyme reaction kinetics and by detecting volatile organic compounds in the gas phase using single-walled carbon nanotubes. Experience gained in engineering, electronics, automation, and software development from the design and…

  6. Extraction and Quantitation of FD&C Red Dye #40 from Beverages Containing Cranberry Juice: A College-Level Analytical Chemistry Experiment

    ERIC Educational Resources Information Center

    Rossi, Henry F., III; Rizzo, Jacqueline; Zimmerman, Devon C.; Usher, Karyn M.

    2012-01-01

    A chemical separation experiment can be an interesting addition to an introductory analytical chemistry laboratory course. We have developed an experiment to extract FD&C Red Dye #40 from beverages containing cranberry juice. After extraction, the dye is quantified using colorimetry. The experiment gives students hands-on experience in using solid…

  7. Determination of Total Arsenic and Speciation in Apple Juice by Liquid Chromatography-Inductively Coupled Plasma Mass Spectrometry: An Experiment for the Analytical Chemistry Laboratory

    ERIC Educational Resources Information Center

    He, Ping; Colon, Luis A.; Aga, Diana S.

    2016-01-01

    A two-part laboratory experiment was designed for upper-level analytical chemistry students to provide hands-on experience in the use of high performance liquid chromatography (HPLC) for separation and inductively coupled plasma mass spectrometry (ICP-MS) for detection. In the first part of the experiment, the students analyze total arsenic in…

  8. Insights into the physical chemistry of materials from advances in HAADF-STEM

    DOE PAGES

    Sohlberg, Karl; Pennycook, Timothy J.; Zhou, Wu; ...

    2014-11-13

    The observation that, ‘‘New tools lead to new science’’[P. S. Weiss, ACS Nano., 2012, 6(3), 1877–1879], is perhaps nowhere more evident than in scanning transmission electron microscopy (STEM). Advances in STEM have endowed this technique with several powerful and complimentary capabilities. For example, the application of high-angle annular dark-field imaging has made possible real-space imaging at subangstrom resolution with Z-contrast (Z = atomic number). Further advances have wrought: simultaneous real-space imaging and elemental identification by using electron energy loss spectroscopy (EELS); 3-dimensional (3D) mapping by depth sectioning; monitoring of surface diffusion by time-sequencing of images; reduced electron energy imaging formore » probing graphenes; etc. In this paper we review how these advances, often coupled with first-principles theory, have led to interesting and important new insights into the physical chemistry of materials. We then review in detail a few specific applications that highlight some of these STEM capabilities.« less

  9. Insights into the physical chemistry of materials from advances in HAADF-STEM

    SciTech Connect

    Sohlberg, Karl; Pennycook, Timothy J.; Zhou, Wu; Pennycook, Stephen J.

    2014-11-13

    The observation that, ‘‘New tools lead to new science’’[P. S. Weiss, ACS Nano., 2012, 6(3), 1877–1879], is perhaps nowhere more evident than in scanning transmission electron microscopy (STEM). Advances in STEM have endowed this technique with several powerful and complimentary capabilities. For example, the application of high-angle annular dark-field imaging has made possible real-space imaging at subangstrom resolution with Z-contrast (Z = atomic number). Further advances have wrought: simultaneous real-space imaging and elemental identification by using electron energy loss spectroscopy (EELS); 3-dimensional (3D) mapping by depth sectioning; monitoring of surface diffusion by time-sequencing of images; reduced electron energy imaging for probing graphenes; etc. In this paper we review how these advances, often coupled with first-principles theory, have led to interesting and important new insights into the physical chemistry of materials. We then review in detail a few specific applications that highlight some of these STEM capabilities.

  10. Ion-Surface Collisions in Mass Spectrometry: Where Analytical Chemistry Meets Surface Science

    SciTech Connect

    Laskin, Julia

    2015-02-01

    This article presents a personal perspective regarding the development of key concepts in understanding hyperthermal collisions of polyatomic ions with surfaces as a unique tool for mass spectrometry applications. In particular, this article provides a historic overview of studies focused on understanding the phenomena underlying surface-induced dissociation (SID) and mass-selected deposition of complex ions on surfaces. Fast energy transfer in ion-surface collisions makes SID especially advantageous for structural characterization of large complex molecules, such as peptides, proteins, and protein complexes. Soft, dissociative, and reactive landing of mass-selected ions provide the basis for preparatory mass spectrometry. These techniques enable precisely controlled deposition of ions on surfaces for a variety of applications. This perspective article shows how basic concepts developed in the 1920s and 1970s have evolved to advance promising mass-spectrometry-based applications.

  11. Acid-Base Chemistry of White Wine: Analytical Characterisation and Chemical Modelling

    PubMed Central

    Prenesti, Enrico; Berto, Silvia; Toso, Simona; Daniele, Pier Giuseppe

    2012-01-01

    A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria). Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids) with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture), ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic “wine” especially adapted for testing. PMID:22566762

  12. Acid-base chemistry of white wine: analytical characterisation and chemical modelling.

    PubMed

    Prenesti, Enrico; Berto, Silvia; Toso, Simona; Daniele, Pier Giuseppe

    2012-01-01

    A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria). Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids) with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture), ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic "wine" especially adapted for testing.

  13. To address accuracy and precision using methods from analytical chemistry and computational physics.

    PubMed

    Kozmutza, Cornelia; Picó, Yolanda

    2009-04-01

    In this work the pesticides were determined by liquid chromatography-mass spectrometry (LC-MS). In present study the occurrence of imidacloprid in 343 samples of oranges, tangerines, date plum, and watermelons from Valencian Community (Spain) has been investigated. The nine additional pesticides were chosen as they have been recommended for orchard treatment together with imidacloprid. The Mulliken population analysis has been applied to present the charge distribution in imidacloprid. Partitioned energy terms and the virial ratios have been calculated for certain molecules entering in interaction. A new technique based on the comparison of the decomposed total energy terms at various configurations is demonstrated in this work. The interaction ability could be established correctly in the studied case. An attempt is also made in this work to address accuracy and precision. These quantities are well-known in experimental measurements. In case precise theoretical description is achieved for the contributing monomers and also for the interacting complex structure some properties of this latter system can be predicted to quite a good accuracy. Based on simple hypothetical considerations we estimate the impact of applying computations on reducing the amount of analytical work.

  14. From Molecular Structure to Global Processes : NMR Spectroscopy in Analytical/Environmental Chemistry

    NASA Astrophysics Data System (ADS)

    Simpson, A.

    2009-04-01

    NMR Spectroscopy is arguably the most powerful tool to elucidate structure and probe molecular interactions. A range of NMR approaches will be introduced with emphasis on addressing and understanding structure and reactivity of soil organic matter at the molecular level. The presentation will be split into three main sections. The first section will look at evidence from advanced NMR based approaches that when considered synergistically describes the major structural components in soil organic matter. Multidimensional NMR spectroscopy (1-3D NMR), automated pattern matching, spectral simulations, diffusion NMR and hybrid-diffusion NMR will be introduced in context of molecular structure. Finally the structural components in soil will be contrasted to those found in aquatic dissolved organic matter. Secondly molecular interactions of natural organic matter will be considered. Advanced structural studies have provided detailed spectral assignments which in turn permit the reactivity of various soil components to be elucidated. Aggregation and self-association of soil and dissolved organic matter will be discussed along with the structural components likely responsible for aggregation/colloid formation. Interactions of soil organic matter with anthropogenic chemicals will also be considered and NMR techniques based on "Saturation Transfer Difference" introduced. These techniques are extremely powerful and can be used to both; describe mechanistically how anthropogenic chemicals sorb to whole soils and identify the structural components (lignin, protein, cellulose, etc..) that are responsible for the binding/sorption in soil. In the last section, the "big questions" and challenges facing the field will be considered along with some novel experimental NMR based approaches that should, in future, assist in providing answers to these questions.

  15. Selenium contaminated waters: An overview of analytical methods, treatment options and recent advances in sorption methods.

    PubMed

    Santos, Sílvia; Ungureanu, Gabriela; Boaventura, Rui; Botelho, Cidália

    2015-07-15

    Selenium is an essential trace element for many organisms, including humans, but it is bioaccumulative and toxic at higher than homeostatic levels. Both selenium deficiency and toxicity are problems around the world. Mines, coal-fired power plants, oil refineries and agriculture are important examples of anthropogenic sources, generating contaminated waters and wastewaters. For reasons of human health and ecotoxicity, selenium concentration has to be controlled in drinking-water and in wastewater, as it is a potential pollutant of water bodies. This review article provides firstly a general overview about selenium distribution, sources, chemistry, toxicity and environmental impact. Analytical techniques used for Se determination and speciation and water and wastewater treatment options are reviewed. In particular, published works on adsorption as a treatment method for Se removal from aqueous solutions are critically analyzed. Recent published literature has given particular attention to the development and search for effective adsorbents, including low-cost alternative materials. Published works mostly consist in exploratory findings and laboratory-scale experiments. Binary metal oxides and LDHs (layered double hydroxides) have presented excellent adsorption capacities for selenium species. Unconventional sorbents (algae, agricultural wastes and other biomaterials), in raw or modified forms, have also led to very interesting results with the advantage of their availability and low-cost. Some directions to be considered in future works are also suggested.

  16. On the multimodality of preparative TREF fractionation as detected by advanced analytical methods.

    PubMed

    Ndiripo, Anthony; Pasch, Harald

    2015-08-01

    Preparative temperature rising elution fractionation (prepTREF) is the standard technique for the preparative fractionation of polyolefins according to crystallisability. For olefin copolymers such as linear low-density polyethylene (LLDPE), it was believed that the TREF elution temperature correlates directly with the copolymer composition. For copolymers having different bulk comonomer contents, the prepTREF fractions of different samples collected at a given temperature were assumed to have the same chemical composition. It was acknowledged quite early that co-crystallisation effects may disturb TREF fractionation and fractions are obtained that are not completely homogeneous. This, however, has not been investigated quantitatively so far. The fundamental statement of prepTREF is challenged for the first time quantitatively using advanced analytical techniques including high-temperature high-performance liquid chromatography (HPLC). Ethylene-1-octene copolymers having bulk comonomer contents ranging from 0.3 to 6.4 mol% were fractionated by prepTREF, and the fractions were analysed by high-temperature size exclusion chromatography, crystallisation analysis fractionation, differential scanning calorimetry and high-temperature HPLC. All analytical results prove that the TREF fractions collected from different samples at the same elution temperature have different chemical compositions. The chemical compositions of the fractions correlate with the compositions of the bulk samples in that the comonomer contents of similar TREF fractions increase with an increase of the comonomer content of the bulk samples. These results are in clear contrast to the previous assumption that the TREF fraction composition is independent of the bulk copolymer composition for a given copolymer type. Graphical abstract Advanced analysis of LLDPE by combination of HT-HPLC, DSC and CRYSTAF.

  17. Plant Aquaporins: Genome-Wide Identification, Transcriptomics, Proteomics, and Advanced Analytical Tools

    PubMed Central

    Deshmukh, Rupesh K.; Sonah, Humira; Bélanger, Richard R.

    2016-01-01

    Aquaporins (AQPs) are channel-forming integral membrane proteins that facilitate the movement of water and many other small molecules. Compared to animals, plants contain a much higher number of AQPs in their genome. Homology-based identification of AQPs in sequenced species is feasible because of the high level of conservation of protein sequences across plant species. Genome-wide characterization of AQPs has highlighted several important aspects such as distribution, genetic organization, evolution and conserved features governing solute specificity. From a functional point of view, the understanding of AQP transport system has expanded rapidly with the help of transcriptomics and proteomics data. The efficient analysis of enormous amounts of data generated through omic scale studies has been facilitated through computational advancements. Prediction of protein tertiary structures, pore architecture, cavities, phosphorylation sites, heterodimerization, and co-expression networks has become more sophisticated and accurate with increasing computational tools and pipelines. However, the effectiveness of computational approaches is based on the understanding of physiological and biochemical properties, transport kinetics, solute specificity, molecular interactions, sequence variations, phylogeny and evolution of aquaporins. For this purpose, tools like Xenopus oocyte assays, yeast expression systems, artificial proteoliposomes, and lipid membranes have been efficiently exploited to study the many facets that influence solute transport by AQPs. In the present review, we discuss genome-wide identification of AQPs in plants in relation with recent advancements in analytical tools, and their availability and technological challenges as they apply to AQPs. An exhaustive review of omics resources available for AQP research is also provided in order to optimize their efficient utilization. Finally, a detailed catalog of computational tools and analytical pipelines is

  18. International Federation of Clinical Chemistry. Use of artificial intelligence in analytical systems for the clinical laboratory. IFCC Committee on Analytical Systems.

    PubMed

    Place, J F; Truchaud, A; Ozawa, K; Pardue, H; Schnipelsky, P

    1994-12-16

    The incorporation of information-processing technology into analytical systems in the form of standard computing software has recently been advanced by the introduction of artificial intelligence (AI) both as expert systems and as neural networks. This paper considers the role of software in system operation, control and automation and attempts to define intelligence. AI is characterized by its ability to deal with incomplete and imprecise information and to accumulate knowledge. Expert systems, building on standard computing techniques, depend heavily on the domain experts and knowledge engineers that have programmed them to represent the real world. Neural networks are intended to emulate the pattern-recognition and parallel-processing capabilities of the human brain and are taught rather than programmed. The future may lie in a combination of the recognition ability of the neural network and the rationalization capability of the expert system. In the second part of this paper, examples are given of applications of AI in stand-alone systems for knowledge engineering and medical diagnosis and in embedded systems for failure detection, image analysis, user interfacing, natural language processing, robotics and machine learning, as related to clinical laboratories. It is concluded that AI constitutes a collective form of intellectual property and that there is a need for better documentation, evaluation and regulation of the systems already being used widely in clinical laboratories.

  19. Analytical tools employed to determine pharmaceutical compounds in wastewaters after application of advanced oxidation processes.

    PubMed

    Afonso-Olivares, Cristina; Montesdeoca-Esponda, Sarah; Sosa-Ferrera, Zoraida; Santana-Rodríguez, José Juan

    2016-12-01

    Today, the presence of contaminants in the environment is a topic of interest for society in general and for the scientific community in particular. A very large amount of different chemical substances reaches the environment after passing through wastewater treatment plants without being eliminated. This is due to the inefficiency of conventional removal processes and the lack of government regulations. The list of compounds entering treatment plants is gradually becoming longer and more varied because most of these compounds come from pharmaceuticals, hormones or personal care products, which are increasingly used by modern society. As a result of this increase in compound variety, to address these emerging pollutants, the development of new and more efficient removal technologies is needed. Different advanced oxidation processes (AOPs), especially photochemical AOPs, have been proposed as supplements to traditional treatments for the elimination of pollutants, showing significant advantages over the use of conventional methods alone. This work aims to review the analytical methodologies employed for the analysis of pharmaceutical compounds from wastewater in studies in which advanced oxidation processes are applied. Due to the low concentrations of these substances in wastewater, mass spectrometry detectors are usually chosen to meet the low detection limits and identification power required. Specifically, time-of-flight detectors are required to analyse the by-products.

  20. Using an Advanced Computational Laboratory Experiment to Extend and Deepen Physical Chemistry Students' Understanding of Atomic Structure

    ERIC Educational Resources Information Center

    Hoffman, Gary G.

    2015-01-01

    A computational laboratory experiment is described, which involves the advanced study of an atomic system. The students use concepts and techniques typically covered in a physical chemistry course but extend those concepts and techniques to more complex situations. The students get a chance to explore the study of atomic states and perform…

  1. Spotlight on medicinal chemistry education.

    PubMed

    Pitman, Simone; Xu, Yao-Zhong; Taylor, Peter; Turner, Nicholas; Coaker, Hannah; Crews, Kasumi

    2014-05-01

    The field of medicinal chemistry is constantly evolving and it is important for medicinal chemists to develop the skills and knowledge required to succeed and contribute to the advancement of the field. Future Medicinal Chemistry spoke with Simone Pitman (SP), Yao-Zhong Xu (YX), Peter Taylor (PT) and Nick Turner (NT) from The Open University (OU), which offers an MSc in Medicinal Chemistry. In the interview, they discuss the MSc course content, online teaching, the future of medicinal chemistry education and The OU's work towards promoting widening participation. SP is a Qualifications Manager in the Science Faculty at The OU. She joined The OU in 1993 and since 1998 has been involved in the Postgraduate Medicinal Chemistry provision at The OU. YX is a Senior Lecturer in Bioorganic Chemistry at The OU. He has been with The OU from 2001, teaching undergraduate courses of all years and chairing the master's course on medicinal chemistry. PT is a Professor of Organic Chemistry at The OU and has been involved with the production and presentation of The OU courses in Science and across the university for over 30 years, including medicinal chemistry modules at postgraduate level. NT is a Lecturer in Analytical Science at The OU since 2009 and has been involved in the production of analytical sciences courses, as well as contributing to the presentation of a number of science courses including medicinal chemistry.

  2. Atmospheric Chemistry for Astrophysicists: A Self-consistent Formalism and Analytical Solutions for Arbitrary C/O

    NASA Astrophysics Data System (ADS)

    Heng, Kevin; Lyons, James R.; Tsai, Shang-Min

    2016-01-01

    We present a self-consistent formalism for computing and understanding the atmospheric chemistry of exoplanets from the viewpoint of an astrophysicist. Starting from the first law of thermodynamics, we demonstrate that the van’t Hoff equation (which describes the equilibrium constant), Arrhenius equation (which describes the rate coefficients), and procedures associated with the Gibbs free energy (minimization, rescaling) have a common physical and mathematical origin. We address an ambiguity associated with the equilibrium constant, which is used to relate the forward and reverse rate coefficients, and restate its two definitions. By necessity, one of the equilibrium constants must be dimensionless and equate to an exponential function involving the Gibbs free energy, while the other is a ratio of rate coefficients and must therefore possess physical units. We demonstrate that the Arrhenius equation takes on a functional form that is more general than previously stated without recourse to tagging on ad hoc functional forms. Finally, we derive analytical models of chemical systems, in equilibrium, with carbon, hydrogen, and oxygen. We include acetylene and are able to reproduce several key trends, versus temperature and carbon-to-oxygen ratio, published in the literature. The rich variety of behavior that mixing ratios exhibit as a function of the carbon-to-oxygen ratio is merely the outcome of stoichiometric book-keeping and not the direct consequence of temperature or pressure variations.

  3. Double-sided Microfluidic Device for Speciation Analysis of Iron in Water Samples: Towards Greener Analytical Chemistry.

    PubMed

    Youngvises, Napaporn; Thanurak, Porapichcha; Chaida, Thanatcha; Jukmunee, Jaroon; Alsuhaimi, Awadh

    2015-01-01

    Microfluidics minimize the amounts of reagents and generate less waste. While microdevices are commonly single-sided, producing a substrate with microchannels on multiple surfaces would increase their usefulness. Herein, a polymethymethacrylate substrate incorporating microchannel structures on two sides was sandwiched between two polydimethylsiloxane sheets to create a multi-analysis device, which was used for the spectrophotometric analysis of the ferrous ion (Fe(2+)) and the ferric ion (Fe(3+)), by utilizing colorimetric detection. To monitor the signals from both channel networks, dual optical sensors were integrated into the system. The linear ranges for Fe(2+) and Fe(3+) analyses were 0.1 - 20 mg L(-1) (R(2) = 0.9988) and 1.0 - 40 mg L(-1) (R(2) = 0.9974), respectively. The detection limits for Fe(2+) and Fe(3+) were 0.1 and 0.5 mg L(-1), respectively. The percent recoveries of Fe(2+) and Fe(3+) were 93.5 - 104.3 with an RSD < 8%. The microdevice demonstrated capabilities for simultaneous analysis, low waste generation (7.2 mL h(-1)), and high sample throughput (180 h(-1)), making it ideal for greener analytical chemistry applications.

  4. ATMOSPHERIC CHEMISTRY FOR ASTROPHYSICISTS: A SELF-CONSISTENT FORMALISM AND ANALYTICAL SOLUTIONS FOR ARBITRARY C/O

    SciTech Connect

    Heng, Kevin; Tsai, Shang-Min; Lyons, James R.

    2016-01-10

    We present a self-consistent formalism for computing and understanding the atmospheric chemistry of exoplanets from the viewpoint of an astrophysicist. Starting from the first law of thermodynamics, we demonstrate that the van’t Hoff equation (which describes the equilibrium constant), Arrhenius equation (which describes the rate coefficients), and procedures associated with the Gibbs free energy (minimization, rescaling) have a common physical and mathematical origin. We address an ambiguity associated with the equilibrium constant, which is used to relate the forward and reverse rate coefficients, and restate its two definitions. By necessity, one of the equilibrium constants must be dimensionless and equate to an exponential function involving the Gibbs free energy, while the other is a ratio of rate coefficients and must therefore possess physical units. We demonstrate that the Arrhenius equation takes on a functional form that is more general than previously stated without recourse to tagging on ad hoc functional forms. Finally, we derive analytical models of chemical systems, in equilibrium, with carbon, hydrogen, and oxygen. We include acetylene and are able to reproduce several key trends, versus temperature and carbon-to-oxygen ratio, published in the literature. The rich variety of behavior that mixing ratios exhibit as a function of the carbon-to-oxygen ratio is merely the outcome of stoichiometric book-keeping and not the direct consequence of temperature or pressure variations.

  5. Support for chemistry symposia at the 2011 American Association for the Advancement of Science meeting, February 17-21 2011

    SciTech Connect

    Charles Casey

    2011-08-20

    This proposal supported Chemistry Symposia at the 2011 American Association for the Advancement of Science (AAAS) Meeting in Washington, DC February 17-21, 2011. The Chemistry Section of AAAS presented an unusually strong set of symposia for the 2011 AAAS meeting to help celebrate the 2011 International Year of Chemistry. The AAAS meeting provided an unusual opportunity to convey the excitement and importance of chemistry to a very broad audience and allowed access to a large contingent of the scientific press. Excellent suggestions for symposia were received from AAAS Chemistry Fellows and from the chairs of the American Chemical Society Technical Divisions. The AAAS Chemistry executive committee selected topics that would have wide appeal to scientists, the public, and the press for formal proposals of symposia. The symposia proposals were peer reviewed by AAAS. The Chemistry Section made a strong case to the program selection committee for approval of the chemistry symposia and 6 were approved for the 2011 annual meeting. The titles of the approved symposia were: (1) Powering the Planet: Generation of Clean Fuels from Sunlight and Water, (2) Biological Role and Consequences of Intrinsic Protein Disorder, (3) Chemically Speaking: How Organisms Talk to Each Other, (4) Molecular Self-Assembly and Artificial Molecular Machines, (5) Frontiers in Organic Materials for Information Processing, Energy and Sensors, and (6) Celebrating Marie Curie's 100th Anniversary of Her Nobel Prize in Chemistry. The Chemistry Section of AAAS is provided with funds to support only 1-2 symposia a year. Because of the much greater number of symposia approved in conjunction with observance of the 2011 International Year of Chemistry, additional support was sought from DOE to help support the 30 invited speakers and 8 symposia moderators/organizers. Support for the symposia provided the opportunity to highlight the excitement of current chemical research, to educate the public about the

  6. Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

    SciTech Connect

    Ryan, R.R.

    1982-05-01

    This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research.

  7. Leveraging advanced data analytics, machine learning, and metrology models to enable critical dimension metrology solutions for advanced integrated circuit nodes

    NASA Astrophysics Data System (ADS)

    Rana, Narender; Zhang, Yunlin; Kagalwala, Taher; Bailey, Todd

    2014-10-01

    Integrated circuit (IC) technology is changing in multiple ways: 193i to extreme ultraviolet exposure, planar to nonplanar device architecture, from single exposure lithography to multiple exposure and directed self-assembly (DSA) patterning, and so on. Critical dimension (CD) control requirement is becoming stringent and more exhaustive: CD and process windows are shrinking, three-sigma CD control of <2 nm is required in complex geometries, and a metrology uncertainty of <0.2 nm is required to achieve the target CD control for advanced IC nodes (e.g., 14, 10, and 7 nm nodes). There are fundamental capability and accuracy limits in all the metrology techniques that are detrimental to the success of advanced IC nodes. Reference or physical CD metrology is provided by atomic force microscopy (CD-AFM) and TEM while workhorse metrology is provided by CD-SEM, scatterometry, and model-based infrared reflectrometry (MBIR). Precision alone is not sufficient for moving forward. No single technique is sufficient to ensure the required accuracy of patterning. The accuracy of CD-AFM is ˜1 nm and the precision in TEM is poor due to limited statistics. CD scanning electron microscopy (CD-SEM), scatterometry, and MBIR need to be calibrated by reference measurements for ensuring the accuracy of patterned CDs and patterning models. There is a dire need for a measurement with <0.5 nm accuracy and the industry currently does not have that capability with inline measurements. Being aware of the capability gaps for various metrology techniques, we have employed data processing techniques and predictive data analytics, along with patterning simulation and metrology models and data integration techniques to selected applications demonstrating the potential solution and practicality of such an approach to enhance CD metrology accuracy. Data from multiple metrology techniques have been analyzed in multiple ways to extract information with associated uncertainties and integrated to extract

  8. Microfluidics in inorganic chemistry.

    PubMed

    Abou-Hassan, Ali; Sandre, Olivier; Cabuil, Valérie

    2010-08-23

    The application of microfluidics in chemistry has gained significant importance in the recent years. Miniaturized chemistry platforms provide controlled fluid transport, rapid chemical reactions, and cost-saving advantages over conventional reactors. The advantages of microfluidics have been clearly established in the field of analytical and bioanalytical sciences and in the field of organic synthesis. It is less true in the field of inorganic chemistry and materials science; however in inorganic chemistry it has mostly been used for the separation and selective extraction of metal ions. Microfluidics has been used in materials science mainly for the improvement of nanoparticle synthesis, namely metal, metal oxide, and semiconductor nanoparticles. Microfluidic devices can also be used for the formulation of more advanced and sophisticated inorganic materials or hybrids.

  9. Millimeter-Wave Spectroscopy for Analytical Chemistry: Thermal Evolution of Low Volatility Impurities and Detection with a Fourier Transform Molecular Rotational Resonance Spectrometer (tev Ft-Mrr

    NASA Astrophysics Data System (ADS)

    Harris, Brent; Fields, Shelby S.; Neill, Justin L.; Pulliam, Robin; Muckle, Matt; Pate, Brooks

    2016-06-01

    Recent advances in Fourier transform millimeter-wave spectroscopy techniques have renewed the application reach of molecular rotational spectroscopy for analytical chemistry. We present a sampling method for sub ppm analysis of low volatility impurities by thermal evolution from solid powders using a millimeter-wave Fourier transform molecular rotational resonance (FT-MRR) spectrometer for detection. This application of FT-MRR is relevant to the manufacturing of safe oral pharmaceuticals. Low volatility impurities can be challenging to detect at 1 ppm levels with chromatographic techniques. One such example of a potentially mutagenic impurity is acetamide (v.p. 1 Torr at 40 C, m.p. 80 C). We measured the pure reference spectrum of acetamide by flowing the sublimated vapor pressure of acetamide crystals through the FT-MRR spectrometer. The spectrometer lower detection level (LDL) for a broadband (> 20 GHz, 10 min.) spectrum is 300 nTorr, 30 pmol, or 2 ng. For a 50 mg powder, perfect sample transfer efficiency can yield a w/w % detection limit of 35 ppb. We extended the sampling method for the acetamide reference measurement to an acetaminophen sample spiked with 5000 ppm acetamide in order to test the sample transfer efficiency when liberated from an pharmaceutical powder. A spectral reference matching algorithm detected the presence of several impurities including acetaldehyde, acetic acid, and acetonitrile that evolved at the melting point of acetaminophen, demonstrating the capability of FT-MRR for identification without a routine chemical standard. The method detection limit (MDL) without further development is less than 10 ppm w/w %. Resolved FT-MRR mixture spectra will be presented with a description of sampling methods.

  10. Knowledge Style Profiling: An Exploration of Cognitive, Temperament, Demographic and Organizational Characteristics among Decision Makers Using Advanced Analytical Technologies

    ERIC Educational Resources Information Center

    Polito, Vincent A., Jr.

    2010-01-01

    The objective of this research was to explore the possibilities of identifying knowledge style factors that could be used as central elements of a professional business analyst's (PBA) performance attributes at work for those decision makers that use advanced analytical technologies on decision making tasks. Indicators of knowledge style were…

  11. Authentic Learning Enviroment in Analytical Chemistry Using Cooperative Methods and Open-Ended Laboratories in Large Lecture Courses

    NASA Astrophysics Data System (ADS)

    Wright, John C.

    1996-09-01

    this course by cooperative take-home examinations. Students can discuss problems but their answers must be their own. This format allows more realistic and complex questions, although there are limits to the sophistication level that is achievable. Typical questions might include simulating the spectra that result for different pH and reagent concentrations when Cd2+, a chelating agent, and a complexation indicator are mixed. The question uses concepts that appeared in the first research paper exercise, but it requires reformulating it in a different context. Students report that the examinations are a reliable indicator of their comprehension and problem-solving skills. Correlation plots of cooperative vs. traditional examination results show no significant differences. Spreadsheets Spreadsheet programs have become recognized as very powerful devices for teaching in analytical chemistry because they provide the power required to tackle complex equilibria. At the same time, they are accessible to the unsophisticated student and they are important tools for a student to master. The spreadsheet programs are used in both lecture and laboratory contexts. Exercises are assigned that increase student proficiency gradually. Starting from a simple successive approximation exercise, students advance to creating species distribution functions (alpha-plots) for weak acids and then to modeling a titration curve including nonideality corrections. They also use computers for data acquisition in conjunction with a scanning spectrophotometer and data analysis of the overlapping spectra in a two-component mixture. Open-Ended Laboratory Projects The open-ended projects are the heart of the course. They have well-defined goals, but students are free to use their own creativity in reaching the goals. A listing of projects that have been used in the course is given in Table 1. The measurement of the pKa of an indicator and the development of a spectroscopic pH meter were projects used in

  12. Integrated assessment of runoff from livestock farming operations: analytical chemistry, in vitro bioassays, and in vivo fish exposures

    USGS Publications Warehouse

    Cavallin, Jenna E.; Durhan, Elizabeth J.; Evans, Nicola; Jensen, Kathleen M.; Kahl, Michael D.; Kolpin, Dana W.; Kolodziej, Edward P.; Foreman, William T.; LaLone, Carlie A.; Makynen, Elizabeth A.; Seidl, Sara M.; Thomas, Linnea M.; Villeneuve, Daniel L.; Weberg, Matthew A.; Wilson, Vickie S.; Ankley, Gerald T.

    2014-01-01

    Animal waste from livestock farming operations can contain varying levels of natural and synthetic androgens and/or estrogens, which can contaminate surrounding waterways. In the present study, surface stream water was collected from 6 basins containing livestock farming operations. Aqueous concentrations of 12 hormones were determined via chemical analyses. Relative androgenic and estrogenic activity was measured using in vitro cell assays (MDA-kb2 and T47D-Kbluc assays, respectively). In parallel, 48-h static-renewal in vivo exposures were conducted to examine potential endocrine-disrupting effects in fathead minnows. Mature fish were exposed to surface water dilutions (0%, 25%, 50%, and 100%) and 10-ng/L of 17α-ethynylestradiol or 50-ng/L of 17β-trenbolone as positive controls. Hepatic expression of vitellogenin and estrogen receptor α mRNA, gonadal ex vivo testosterone and 17β-estradiol production, and plasma vitellogenin concentrations were examined. Potentially estrogenic and androgenic steroids were detected at low nanogram per liter concentrations. In vitro estrogenic activity was detected in all samples, whereas androgenic activity was detected in only 1 sample. In vivo exposures to the surface water had no significant dose-dependent effect on any of the biological endpoints, with the exception of increased male testosterone production in 1 exposure. The present study, which combines analytical chemistry measurements, in vitro bioassays, and in vivo fish exposures, highlights the integrated value and future use of a combination of techniques to obtain a comprehensive characterization of an environmental chemical mixture. 

  13. Integrated assessment of runoff from livestock farming operations: Analytical chemistry, in vitro bioassays, and in vivo fish exposures.

    PubMed

    Cavallin, Jenna E; Durhan, Elizabeth J; Evans, Nicola; Jensen, Kathleen M; Kahl, Michael D; Kolpin, Dana W; Kolodziej, Edward P; Foreman, William T; LaLone, Carlie A; Makynen, Elizabeth A; Seidl, Sara M; Thomas, Linnea M; Villeneuve, Daniel L; Weberg, Matthew A; Wilson, Vickie S; Ankley, Gerald T

    2014-08-01

    Animal waste from livestock farming operations can contain varying levels of natural and synthetic androgens and/or estrogens, which can contaminate surrounding waterways. In the present study, surface stream water was collected from 6 basins containing livestock farming operations. Aqueous concentrations of 12 hormones were determined via chemical analyses. Relative androgenic and estrogenic activity was measured using in vitro cell assays (MDA-kb2 and T47D-Kbluc assays, respectively). In parallel, 48-h static-renewal in vivo exposures were conducted to examine potential endocrine-disrupting effects in fathead minnows. Mature fish were exposed to surface water dilutions (0%, 25%, 50%, and 100%) and 10-ng/L of 17α-ethynylestradiol or 50-ng/L of 17β-trenbolone as positive controls. Hepatic expression of vitellogenin and estrogen receptor α mRNA, gonadal ex vivo testosterone and 17β-estradiol production, and plasma vitellogenin concentrations were examined. Potentially estrogenic and androgenic steroids were detected at low nanogram per liter concentrations. In vitro estrogenic activity was detected in all samples, whereas androgenic activity was detected in only 1 sample. In vivo exposures to the surface water had no significant dose-dependent effect on any of the biological endpoints, with the exception of increased male testosterone production in 1 exposure. The present study, which combines analytical chemistry measurements, in vitro bioassays, and in vivo fish exposures, highlights the integrated value and future use of a combination of techniques to obtain a comprehensive characterization of an environmental chemical mixture.

  14. Development of new methods and polyphosphazene chemistries for advanced materials applications

    NASA Astrophysics Data System (ADS)

    Hindenlang, Mark D.

    The work described within this thesis focuses on the design, synthesis, and characterization of new phosphazenes with potential in advanced materials applications. Additionally, these unique polymers required the development of novel reaction methods or the investigation of new phosphazene chemistry to achieve their synthesis. Chapter 1 lays out some of the basic principles and fundamentals of polymer chemistry. Chapter 2 investigates the use of iodinated polyphosphazenes as x-ray opaque materials. Single-substituent polymers with 4-iodophenoxy or 4-iodophenylanaline ethyl ester units as the only side groups were prepared. Although a single-substitutent polymer with 3,5-diiodotyrosine ethyl ester groups was difficult to synthesize, probably because of steric hindrance, mixed-substituent polymers that contained the non-iodinated ethyl esters of glycyine, alanine, or phenylalanine plus a corresponding iodinated substituent, could be synthesized. Multinuclear NMR spectroscopy was used to follow the substitution of side groups onto the phosphazene back bone and judge the ratio of substituents. Chapter 3 details the initial investigation into 3,4-dihydroxy-L-phenylalanine ethyl ester and dopamine substituted polyphosphazenes that could be applied to a number of applications. L-DOPAEE was acetonide protected to prevent crosslinking reactions by the catechole functionality. Cyclic small molecule studies and macromolecular substitution reactions on the linear high polymer were conducted with the protected L-DOPA. Continuing studies into protection of the dopamine catechol have elucidated a viable method for the synthesis of amino-linked dopamine polymers. Chapter 4 describes a method for the synthesis of phosphazenes with quaternary amine complexes as potential antibacterial agents. Replacement reactions of pyridine alkoxides and chlorophosphazenes were first attempted at the small molecule level to study the reactivities of pyridine alkoxides. The formation of an

  15. Integrating Project-Based Service-Learning into an Advanced Environmental Chemistry Course

    NASA Astrophysics Data System (ADS)

    Draper, Alison J.

    2004-02-01

    In an advanced environmental chemistry course, the inclusion of semester-long scientific service projects successfully integrated the research process with course content. Each project involved a unique community-based environmental analysis in which students assessed an aspect of environmental health. The projects were due in small pieces at even intervals, and students worked independently or in pairs. Initially, students wrote a project proposal in which they chose and justified a project. Following a literature review of their topic, they drafted sampling and analysis plans using methods in the literature. Samples were collected and analyzed, and all students assembled scientific posters describing the results of their study. In the last week of the semester, the class traveled to a regional professional meeting to present the posters. In all, students found the experience valuable. They learned to be professional environmental chemists and learned the value of the discipline to community health. Students not only learned about their own project in depth, but they were inspired to learn textbook material, not for an exam, but because it helped them understand their own project. Finally, having a community to answer to at the end of the project motivated students to do careful work.

  16. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    NASA Astrophysics Data System (ADS)

    Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Wormit, Michael; Kussmann, Joerg; Lange, Adrian W.; Behn, Andrew; Deng, Jia; Feng, Xintian; Ghosh, Debashree; Goldey, Matthew; Horn, Paul R.; Jacobson, Leif D.; Kaliman, Ilya; Khaliullin, Rustam Z.; Kuś, Tomasz; Landau, Arie; Liu, Jie; Proynov, Emil I.; Rhee, Young Min; Richard, Ryan M.; Rohrdanz, Mary A.; Steele, Ryan P.; Sundstrom, Eric J.; Woodcock, H. Lee, III; Zimmerman, Paul M.; Zuev, Dmitry; Albrecht, Ben; Alguire, Ethan; Austin, Brian; Beran, Gregory J. O.; Bernard, Yves A.; Berquist, Eric; Brandhorst, Kai; Bravaya, Ksenia B.; Brown, Shawn T.; Casanova, David; Chang, Chun-Min; Chen, Yunqing; Chien, Siu Hung; Closser, Kristina D.; Crittenden, Deborah L.; Diedenhofen, Michael; DiStasio, Robert A., Jr.; Do, Hainam; Dutoi, Anthony D.; Edgar, Richard G.; Fatehi, Shervin; Fusti-Molnar, Laszlo; Ghysels, An; Golubeva-Zadorozhnaya, Anna; Gomes, Joseph; Hanson-Heine, Magnus W. D.; Harbach, Philipp H. P.; Hauser, Andreas W.; Hohenstein, Edward G.; Holden, Zachary C.; Jagau, Thomas-C.; Ji, Hyunjun; Kaduk, Benjamin; Khistyaev, Kirill; Kim, Jaehoon; Kim, Jihan; King, Rollin A.; Klunzinger, Phil; Kosenkov, Dmytro; Kowalczyk, Tim; Krauter, Caroline M.; Lao, Ka Un; Laurent, Adèle D.; Lawler, Keith V.; Levchenko, Sergey V.; Lin, Ching Yeh; Liu, Fenglai; Livshits, Ester; Lochan, Rohini C.; Luenser, Arne; Manohar, Prashant; Manzer, Samuel F.; Mao, Shan-Ping; Mardirossian, Narbe; Marenich, Aleksandr V.; Maurer, Simon A.; Mayhall, Nicholas J.; Neuscamman, Eric; Oana, C. Melania; Olivares-Amaya, Roberto; O'Neill, Darragh P.; Parkhill, John A.; Perrine, Trilisa M.; Peverati, Roberto; Prociuk, Alexander; Rehn, Dirk R.; Rosta, Edina; Russ, Nicholas J.; Sharada, Shaama M.; Sharma, Sandeep; Small, David W.; Sodt, Alexander; Stein, Tamar; Stück, David; Su, Yu-Chuan; Thom, Alex J. W.; Tsuchimochi, Takashi; Vanovschi, Vitalii; Vogt, Leslie; Vydrov, Oleg; Wang, Tao; Watson, Mark A.; Wenzel, Jan; White, Alec; Williams, Christopher F.; Yang, Jun; Yeganeh, Sina; Yost, Shane R.; You, Zhi-Qiang; Zhang, Igor Ying; Zhang, Xing; Zhao, Yan; Brooks, Bernard R.; Chan, Garnet K. L.; Chipman, Daniel M.; Cramer, Christopher J.; Goddard, William A., III; Gordon, Mark S.; Hehre, Warren J.; Klamt, Andreas; Schaefer, Henry F., III; Schmidt, Michael W.; Sherrill, C. David; Truhlar, Donald G.; Warshel, Arieh; Xu, Xin; Aspuru-Guzik, Alán; Baer, Roi; Bell, Alexis T.; Besley, Nicholas A.; Chai, Jeng-Da; Dreuw, Andreas; Dunietz, Barry D.; Furlani, Thomas R.; Gwaltney, Steven R.; Hsu, Chao-Ping; Jung, Yousung; Kong, Jing; Lambrecht, Daniel S.; Liang, WanZhen; Ochsenfeld, Christian; Rassolov, Vitaly A.; Slipchenko, Lyudmila V.; Subotnik, Joseph E.; Van Voorhis, Troy; Herbert, John M.; Krylov, Anna I.; Gill, Peter M. W.; Head-Gordon, Martin

    2015-01-01

    A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

  17. Advances in Analytical and Numerical Dispersion Modeling of Pollutants Releasing from an Area-source

    NASA Astrophysics Data System (ADS)

    Nimmatoori, Praneeth

    The air quality near agricultural activities such as tilling, plowing, harvesting, and manure application is of main concern because they release fine particulate matter into the atmosphere. These releases are modeled as area-sources in the air quality modeling research. None of the currently available dispersion models relate and incorporate physical characteristics and meteorological conditions for modeling the dispersion and deposition of particulates emitting from such area-sources. This knowledge gap was addressed by developing the advanced analytical and numerical methods for modeling the dispersion of particulate matter. The development, application, and evaluation of new dispersion modeling methods are discussed in detail in this dissertation. In the analytical modeling, a ground-level area source analytical dispersion model known as particulate matter deposition -- PMD was developed for predicting the concentrations of different particle sizes. Both the particle dynamics (particle physical characteristics) and meteorological conditions which have significant effect on the dispersion of particulates were related and incorporated in the PMD model using the formulations of particle gravitational settling and dry deposition velocities. The modeled particle size concentrations of the PMD model were evaluated statistically after applying it to particulates released from a biosolid applied agricultural field. The evaluation of the PMD model using the statistical criteria concluded effective and successful inclusion of dry deposition theory for modeling particulate matter concentrations. A comprehensive review of analytical area-source dispersion models, which do not account for dry deposition and treat pollutants as gases, was conducted and determined three models -- the Shear, the Parker, and the Smith. A statistical evaluation of these dispersion models was conducted after applying them to two different field data sets and the statistical results concluded that

  18. An advanced scheme for wet scavenging and liquid-phase chemistry in a regional online-coupled chemistry transport model

    NASA Astrophysics Data System (ADS)

    Knote, C.; Brunner, D.

    2012-10-01

    Clouds are reaction chambers for atmospheric trace gases and aerosols, and the associated precipitation is a major sink for atmospheric constituents. The regional chemistry-climate model COSMO-ART has been lacking a description of wet scavenging of gases and aqueous-phase chemistry. In this work we present a coupling of COSMO-ART with a wet scavenging and aqueous-phase chemistry scheme. The coupling is made consistent with the cloud microphysics scheme of the underlying meteorological model COSMO. While the choice of the aqueous-chemistry mechanism is flexible, the effects of a simple sulfur oxidation scheme are shown in the application of the coupled system in this work. We give details explaining the coupling and extensions made, then present results from idealized flow-over-hill experiments in a 2-D model setup and finally results from a full 3-D simulation. Comparison against measurement data shows that the scheme efficiently reduces SO2 trace gas concentrations by 0.3 ppbv (-30%) on average, while leaving O3 and NOx unchanged. PM10 aerosol mass, which has been overestimated previously, is now in much better agreement with measured values due to a stronger scavenging of coarse particles. While total PM2.5 changes only little, chemical composition is improved notably. Overestimations of nitrate aerosols are reduced by typically 0.5-1 μg m-3 (up to -2 μg m-3 in the Po Valley) while sulfate mass is increased by 1-1.5 μg m-3 on average (up to 2.5 μg m-3 in Eastern Europe). The effect of cloud processing of aerosols on its size distribution, i. e. a shift towards larger diameters, is observed. Compared against wet deposition measurements the system underestimates the total wet deposited mass for the simulated case study. We find that while evaporation of cloud droplets dominates in higher altitudes, evaporation of precipitation can contribute up to 50% of total evaporated mass near the surface.

  19. Chemistry to conservation: using otoliths to advance recreational and commercial fisheries management.

    PubMed

    Carlson, A K; Phelps, Q E; Graeb, B D S

    2017-02-01

    Otolith chemistry is an effective technique for evaluating fish environmental history, but its utility in fisheries management has not been comprehensively examined. Thus, a review of otolith chemistry with emphasis on management applicability is presented. More than 1500 otolith chemistry manuscripts published from 1967 to 2015 are reviewed and descriptive case studies are used to illustrate the utility of otolith chemistry as a fisheries management tool. Otolith chemistry publications span a wide variety of topics (e.g. natal origins, habitat use, movement, stock discrimination and statistical theory) and species in freshwater and marine systems. Despite the broad distribution of manuscripts in a variety of fisheries, environmental and ecological journals, the majority of publications (83%, n = 1264) do not describe implications or applications of otolith chemistry for fisheries management. This information gap is addressed through case studies that illustrate management applications of otolith chemistry. Case studies cover numerous topics (e.g. natal origins, population connectivity, stock enhancement, transgenerational marking, pollution exposure history and invasive species management) in freshwater and marine systems using sport fishes, invasive fishes, endangered fishes and species of commercial and aquaculture importance. Otolith chemistry has diverse implications and applications for fisheries management worldwide. Collaboration among fisheries professionals from academia, government agencies and non-governmental organizations will help bridge the research-management divide and establish otolith chemistry as a fisheries management tool.

  20. Recent advances in the application of electron tomography to materials chemistry.

    PubMed

    Leary, Rowan; Midgley, Paul A; Thomas, John Meurig

    2012-10-16

    Nowadays, tomography plays a central role in pureand applied science, in medicine, and in many branches of engineering and technology. It entails reconstructing the three-dimensional (3D) structure of an object from a tilt series of two-dimensional (2D) images. Its origin goes back to 1917, when Radon showed mathematically how a series of 2D projection images could be converted to the 3D structural one. Tomographic X-ray and positron scanning for 3D medical imaging, with a resolution of ∼1 mm, is now ubiquitous in major hospitals. Electron tomography, a relatively new chemical tool, with a resolution of ∼1 nm, has been recently adopted by materials chemists as an invaluable aid for the 3D study of the morphologies, spatially-discriminating chemical compositions, and defect properties of nanostructured materials. In this Account, we review the advances that have been made in facilitating the recording of the required series of 2D electron microscopic images and the subsequent process of 3D reconstruction of specimens that are vulnerable, to a greater or lesser degree, to electron beam damage. We describe how high-fidelity 3D tomograms may be obtained from relatively few 2D images by incorporating prior structural knowledge into the reconstruction process. In particular, we highlight the vital role of compressed sensing, a recently developed procedure well-known to information theorists that exploits ideas of image compression and "sparsity" (that the important image information can be captured in a reduced data set). We also touch upon another promising approach, "discrete" tomography, which builds into the reconstruction process a prior assumption that the object can be described in discrete terms, such as the number of constituent materials and their expected densities. Other advances made recently that we outline, such as the availability of aberration-corrected electron microscopes, electron wavelength monochromators, and sophisticated specimen goniometers

  1. Bridging the Cognitive-Affective Gaps: Teaching Chemistry while Advancing Affective Objectives. The Singapore Curricular Experience

    ERIC Educational Resources Information Center

    Tan, Kok Siang; Goh, Ngoh Khang; Chia, Lian Sai

    2006-01-01

    Chemistry teachers face constraints when trying to integrate cognitive and affective objectives, and hence thoughtful lesson planning is required to achieve the goal. Chemistry teachers can educate students to be knowledgeable about chemical concepts, processes and the benefits of responsible practice by the chemical industry, while being aware,…

  2. Filling a Plastic Bag with Carbon Dioxide: A Student-Designed Guided-Inquiry Lab for Advanced Placement and College Chemistry Courses

    ERIC Educational Resources Information Center

    Lanni, Laura M.

    2014-01-01

    A guided-inquiry lab, suitable for first-year general chemistry or high school advanced placement chemistry, is presented that uses only inexpensive, store-bought materials. The reaction of sodium bicarbonate (baking soda) with aqueous acetic acid (vinegar), under the constraint of the challenge to completely fill a sealable plastic bag with the…

  3. Using an innovative combination of quality-by-design and green analytical chemistry approaches for the development of a stability indicating UHPLC method in pharmaceutical products.

    PubMed

    Boussès, Christine; Ferey, Ludivine; Vedrines, Elodie; Gaudin, Karen

    2015-11-10

    An innovative combination of green chemistry and quality by design (QbD) approach is presented through the development of an UHPLC method for the analysis of the main degradation products of dextromethorphan hydrobromide. QbD strategy was integrated to the field of green analytical chemistry to improve method understanding while assuring quality and minimizing environmental impacts, and analyst exposure. This analytical method was thoroughly evaluated by applying risk assessment and multivariate analysis tools. After a scouting phase aimed at selecting a suitable stationary phase and an organic solvent in accordance with green chemistry principles, quality risk assessment tools were applied to determine the critical process parameters (CPPs). The effects of the CPPs on critical quality attributes (CQAs), i.e., resolutions, efficiencies, and solvent consumption were further evaluated by means of a screening design. A response surface methodology was then carried out to model CQAs as function of the selected CPPs and the optimal separation conditions were determined through a desirability analysis. Resulting contour plots enabled to establish the design space (DS) (method operable design region) where all CQAs fulfilled the requirements. An experimental validation of the DS proved that quality within the DS was guaranteed; therefore no more robustness study was required before the validation. Finally, this UHPLC method was validated using the concept of total error and was used to analyze a pharmaceutical drug product.

  4. Forensic chemistry.

    PubMed

    Bell, Suzanne

    2009-01-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  5. JPRS Report, Science & Technology, USSR: Chemistry

    DTIC Science & Technology

    2007-11-02

    This report contains foreign media information from the USSR concerning analytical chemistry, electrochemistry, environmental chemistry, inorganic compounds, organophosphorous compounds, polymers (rubber) and radiation chemistry.

  6. Integrated homeland security system with passive thermal imaging and advanced video analytics

    NASA Astrophysics Data System (ADS)

    Francisco, Glen; Tillman, Jennifer; Hanna, Keith; Heubusch, Jeff; Ayers, Robert

    2007-04-01

    for creating initial alerts - we refer to this as software level detection, the next level building block Immersive 3D visual assessment for situational awareness and to manage the reaction process - we refer to this as automated intelligent situational awareness, a third building block Wide area command and control capabilities to allow control from a remote location - we refer to this as the management and process control building block integrating together the lower level building elements. In addition, this paper describes three live installations of complete, total systems that incorporate visible and thermal cameras as well as advanced video analytics. Discussion of both system elements and design is extensive.

  7. Prevalence of Pre-Analytical Errors in Clinical Chemistry Diagnostic Labs in Sulaimani City of Iraqi Kurdistan

    PubMed Central

    2017-01-01

    Background Laboratory testing is roughly divided into three phases: a pre-analytical phase, an analytical phase and a post-analytical phase. Most analytical errors have been attributed to the analytical phase. However, recent studies have shown that up to 70% of analytical errors reflect the pre-analytical phase. The pre-analytical phase comprises all processes from the time a laboratory request is made by a physician until the specimen is analyzed at the lab. Generally, the pre-analytical phase includes patient preparation, specimen transportation, specimen collection and storage. In the present study, we report the first comprehensive assessment of the frequency and types of pre-analytical errors at the Sulaimani diagnostic labs in Iraqi Kurdistan. Materials and Methods Over 2 months, 5500 venous blood samples were observed in 10 public diagnostic labs of Sulaimani City. The percentages of rejected samples and types of sample inappropriateness were evaluated. The percentage of each of the following pre-analytical errors were recorded: delay in sample transportation, clotted samples, expired reagents, hemolyzed samples, samples not on ice, incorrect sample identification, insufficient sample, tube broken in centrifuge, request procedure errors, sample mix-ups, communication conflicts, misinterpreted orders, lipemic samples, contaminated samples and missed physician’s request orders. The difference between the relative frequencies of errors observed in the hospitals considered was tested using a proportional Z test. In particular, the survey aimed to discover whether analytical errors were recorded and examine the types of platforms used in the selected diagnostic labs. Results The analysis showed a high prevalence of improper sample handling during the pre-analytical phase. In appropriate samples, the percentage error was as high as 39%. The major reasons for rejection were hemolyzed samples (9%), incorrect sample identification (8%) and clotted samples (6

  8. Application of Advances in Learning Theory and Philosophy of Science to the Improvement of Chemistry Teaching.

    ERIC Educational Resources Information Center

    Novak, Joseph D.

    1984-01-01

    Discusses seven key concepts in Ausubel's learning theory which function to guide research and teaching. Also discusses concept mapping and Gowins Vee, providing examples of how they are used in chemistry instruction. (JN)

  9. Biological Matrix Effects in Quantitative Tandem Mass Spectrometry-Based Analytical Methods: Advancing Biomonitoring

    PubMed Central

    Panuwet, Parinya; Hunter, Ronald E.; D’Souza, Priya E.; Chen, Xianyu; Radford, Samantha A.; Cohen, Jordan R.; Marder, M. Elizabeth; Kartavenka, Kostya; Ryan, P. Barry; Barr, Dana Boyd

    2015-01-01

    The ability to quantify levels of target analytes in biological samples accurately and precisely, in biomonitoring, involves the use of highly sensitive and selective instrumentation such as tandem mass spectrometers and a thorough understanding of highly variable matrix effects. Typically, matrix effects are caused by co-eluting matrix components that alter the ionization of target analytes as well as the chromatographic response of target analytes, leading to reduced or increased sensitivity of the analysis. Thus, before the desired accuracy and precision standards of laboratory data are achieved, these effects must be characterized and controlled. Here we present our review and observations of matrix effects encountered during the validation and implementation of tandem mass spectrometry-based analytical methods. We also provide systematic, comprehensive laboratory strategies needed to control challenges posed by matrix effects in order to ensure delivery of the most accurate data for biomonitoring studies assessing exposure to environmental toxicants. PMID:25562585

  10. Proposed neutron activation analysis facilities in the Advanced Neutron Source

    SciTech Connect

    Robinson, L.; Dyer, F.F.; Emery, J.F.

    1990-01-01

    A number of analytical chemistry experimental facilities are being proposed for the Advanced Neutron Source. Experimental capabilities will include gamma-ray analysis and neutron depth profiling. This paper describes the various systems proposed and some of their important characteristics.

  11. Advanced modelling of the multiphase DMS chemistry with the CAPRAM DMS module 1.0

    NASA Astrophysics Data System (ADS)

    Hoffmann, Erik Hans; Tilgner, Andreas; Schrödner, Roland; Wolke, Ralf; Herrmann, Hartmut

    2016-04-01

    Oceans are the general emitter of dimethyl sulphide (DMS), the major natural sulphur source (Andreae, 1990), and cover approximately 70 % of earth's surface. The main DMS oxidation products are SO2, H2SO4 and methyl sulfonic acid (MSA). Hence, DMS is very important for formation of non-sea salt sulphate (nss SO42-) aerosols and secondary particulate matter and thus global climate. Despite many previous model studies, there are still important knowledge gaps, especially in aqueous phase DMS chemistry, of its atmospheric fate (Barnes et al., 2006). Therefore, a comprehensive multiphase DMS chemistry mechanism, the CAPRAM DMS module 1.0 (DM1.0), has been developed. The DM1.0 includes 103 gas phase reactions, 5 phase transfers and 54 aqueous phase reactions. It was coupled with the multiphase chemistry mechanism MCMv3.2/CAPRAM4.0α (Rickard et al., 2015; Bräuer et al., 2016) and the extended CAPRAM halogen module 2.1 (HM2.1, Bräuer et al., 2013) for investigation of multiphase DMS oxidation in the marine boundary layer. Then, a pristine ocean scenario was simulated using the air parcel model SPACCIM (Wolke et al., 2005) including 8 non-permanent cloud passages - 4 at noon and 4 at midnight. This allows the investigation of the influence of deliquesced particles and clouds on multiphase DMS chemistry during both daytime and nighttime conditions as well as under cloud formation and evaporation. To test the influence of various subsystems on multiphase DMS chemistry different sensitivity runs were performed. Investigations of multiphase chemistry of DMS and its important oxidation products were done using concentration-time profiles and detailed time-resolved reaction flux analyses. The model studies revealed the importance of aqueous phase chemistry for DMS and its oxidation products. Overall about 7.0% of DMS is effectively oxidised by O3 in the aqueous phase of clouds. The simulations revealed the importance of halogen and aqueous phase chemistry for DMS and its

  12. Using advanced surface complexation models for modelling soil chemistry under forests: Solling forest, Germany.

    PubMed

    Bonten, Luc T C; Groenenberg, Jan E; Meesenburg, Henning; de Vries, Wim

    2011-10-01

    Various dynamic soil chemistry models have been developed to gain insight into impacts of atmospheric deposition of sulphur, nitrogen and other elements on soil and soil solution chemistry. Sorption parameters for anions and cations are generally calibrated for each site, which hampers extrapolation in space and time. On the other hand, recently developed surface complexation models (SCMs) have been successful in predicting ion sorption for static systems using generic parameter sets. This study reports the inclusion of an assemblage of these SCMs in the dynamic soil chemistry model SMARTml and applies this model to a spruce forest site in Solling Germany. Parameters for SCMs were taken from generic datasets and not calibrated. Nevertheless, modelling results for major elements matched observations well. Further, trace metals were included in the model, also using the existing framework of SCMs. The model predicted sorption for most trace elements well.

  13. The development and application of advanced analytical methods to commercial ICF reactor chambers. Final report

    SciTech Connect

    Cousseau, P.; Engelstad, R.; Henderson, D.L.

    1997-10-01

    Progress is summarized in this report for each of the following tasks: (1) multi-dimensional radiation hydrodynamics computer code development; (2) 2D radiation-hydrodynamic code development; (3) ALARA: analytic and Laplacian adaptive radioactivity analysis -- a complete package for analysis of induced activation; (4) structural dynamics modeling of ICF reactor chambers; and (5) analysis of self-consistent target chamber clearing.

  14. "In situ" extraction of essential oils by use of Dean-Stark glassware and a Vigreux column inside a microwave oven: a procedure for teaching green analytical chemistry.

    PubMed

    Chemat, Farid; Perino-Issartier, Sandrine; Petitcolas, Emmanuel; Fernandez, Xavier

    2012-08-01

    One of the principal objectives of sustainable and green processing development remains the dissemination and teaching of green chemistry in colleges, high schools, and academic laboratories. This paper describes simple glassware that illustrates the phenomenon of extraction in a conventional microwave oven as energy source and a process for green analytical chemistry. Simple glassware comprising a Dean-Stark apparatus (for extraction of aromatic plant material and recovery of essential oils and distilled water) and a Vigreux column (as an air-cooled condenser inside the microwave oven) was designed as an in-situ extraction vessel inside a microwave oven. The efficiency of this experiment was validated for extraction of essential oils from 30 g fresh orange peel, a by-product in the production of orange juice. Every laboratory throughout the world can use this equipment. The microwave power is 100 W and the irradiation time 15 min. The method is performed at atmospheric pressure without added solvent or water and furnishes essential oils similar to those obtained by conventional hydro or steam distillation. By use of GC-MS, 22 compounds in orange peel were separated and identified; the main compounds were limonene (72.1%), β-pinene (8.4%), and γ-terpinene (6.9%). This procedure is appropriate for the teaching laboratory, does not require any special microwave equipment, and enables the students to learn the skills of extraction, and chromatographic and spectroscopic analysis. They are also exposed to a dramatic visual example of rapid, sustainable, and green extraction of an essential oil, and are introduced to successful sustainable and green analytical chemistry.

  15. Green Oxidation of Menthol Enantiomers and Analysis by Circular Dichroism Spectroscopy: An Advanced Organic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Geiger, H. Cristina; Donohoe, James S.

    2012-01-01

    Green chemistry addresses environmental concerns associated with chemical processes and increases awareness of possible harmful effects of chemical reagents. Efficient reactions that eliminate or reduce the use of organic solvents or toxic reagents are increasingly available. A two-week experiment is reported that entails the calcium hypochlorite…

  16. Exploring Interactive and Dynamic Simulations Using a Computer Algebra System in an Advanced Placement Chemistry Course

    ERIC Educational Resources Information Center

    Matsumoto, Paul S.

    2014-01-01

    The article describes the use of Mathematica, a computer algebra system (CAS), in a high school chemistry course. Mathematica was used to generate a graph, where a slider controls the value of parameter(s) in the equation; thus, students can visualize the effect of the parameter(s) on the behavior of the system. Also, Mathematica can show the…

  17. Advanced Chemistry for Operators. Training Module 1.321.3.77.

    ERIC Educational Resources Information Center

    Kirkwood Community Coll., Cedar Rapids, IA.

    This document is an instructional module package prepared in objective form for use by an instructor familiar with inorganic and general organic chemistry as applied to water and wastewater treatment. Included are objectives, instructor guides, and student handouts. The module contains material related to chemical reactions in water solutions,…

  18. Green, Enzymatic Syntheses of Divanillin and Diapocynin for the Organic, Biochemistry, or Advanced General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Nishimura, Rachel T.; Giammanco, Chiara H.; Vosburg, David A.

    2010-01-01

    Environmentally benign chemistry is an increasingly important topic both in the classroom and the laboratory. In this experiment, students synthesize divanillin from vanillin or diapocynin from apocynin, using horseradish peroxidase and hydrogen peroxide in water. The dimerized products form rapidly at ambient temperature and are isolated by…

  19. Advanced Chemistry Collection: Abstract of Special Issue 28, a CD ROM (for Students)

    NASA Astrophysics Data System (ADS)

    2000-11-01

    Literature Cited

    1. Grushow, A. J. Chem. Educ., 2000, 77, 1527.
    2. Haigh, J.; Lord, J. R. J. Chem. Educ., 2000, 77, 1528.
    3. General Chemistry Collection, 4th Ed.; J. Chem. Educ. Software, 2000, SP16.

  20. Extraction, Analytical and Advanced Methods for Detection of Allura Red AC (E129) in Food and Beverages Products

    PubMed Central

    Rovina, Kobun; Siddiquee, Shafiquzzaman; Shaarani, Sharifudin M.

    2016-01-01

    Allura Red AC (E129) is an azo dye that widely used in drinks, juices, bakery, meat, and sweets products. High consumption of Allura Red has claimed an adverse effects of human health including allergies, food intolerance, cancer, multiple sclerosis, attention deficit hyperactivity disorder, brain damage, nausea, cardiac disease and asthma due to the reaction of aromatic azo compounds (R = R′ = aromatic). Several countries have banned and strictly controlled the uses of Allura Red in food and beverage products. This review paper is critically summarized on the available analytical and advanced methods for determination of Allura Red and also concisely discussed on the acceptable daily intake, toxicology and extraction methods. PMID:27303385

  1. An advanced modeling study on the impacts and atmospheric implications of multiphase dimethyl sulfide chemistry.

    PubMed

    Hoffmann, Erik Hans; Tilgner, Andreas; Schrödner, Roland; Bräuer, Peter; Wolke, Ralf; Herrmann, Hartmut

    2016-10-18

    Oceans dominate emissions of dimethyl sulfide (DMS), the major natural sulfur source. DMS is important for the formation of non-sea salt sulfate (nss-SO4(2-)) aerosols and secondary particulate matter over oceans and thus, significantly influence global climate. The mechanism of DMS oxidation has accordingly been investigated in several different model studies in the past. However, these studies had restricted oxidation mechanisms that mostly underrepresented important aqueous-phase chemical processes. These neglected but highly effective processes strongly impact direct product yields of DMS oxidation, thereby affecting the climatic influence of aerosols. To address these shortfalls, an extensive multiphase DMS chemistry mechanism, the Chemical Aqueous Phase Radical Mechanism DMS Module 1.0, was developed and used in detailed model investigations of multiphase DMS chemistry in the marine boundary layer. The performed model studies confirmed the importance of aqueous-phase chemistry for the fate of DMS and its oxidation products. Aqueous-phase processes significantly reduce the yield of sulfur dioxide and increase that of methyl sulfonic acid (MSA), which is needed to close the gap between modeled and measured MSA concentrations. Finally, the simulations imply that multiphase DMS oxidation produces equal amounts of MSA and sulfate, a result that has significant implications for nss-SO4(2-) aerosol formation, cloud condensation nuclei concentration, and cloud albedo over oceans. Our findings show the deficiencies of parameterizations currently used in higher-scale models, which only treat gas-phase chemistry. Overall, this study shows that treatment of DMS chemistry in both gas and aqueous phases is essential to improve the accuracy of model predictions.

  2. An advanced modeling study on the impacts and atmospheric implications of multiphase dimethyl sulfide chemistry

    NASA Astrophysics Data System (ADS)

    Hoffmann, Erik Hans; Tilgner, Andreas; Schrödner, Roland; Bräuer, Peter; Wolke, Ralf; Herrmann, Hartmut

    2016-10-01

    Oceans dominate emissions of dimethyl sulfide (DMS), the major natural sulfur source. DMS is important for the formation of non-sea salt sulfate (nss-SO42-) aerosols and secondary particulate matter over oceans and thus, significantly influence global climate. The mechanism of DMS oxidation has accordingly been investigated in several different model studies in the past. However, these studies had restricted oxidation mechanisms that mostly underrepresented important aqueous-phase chemical processes. These neglected but highly effective processes strongly impact direct product yields of DMS oxidation, thereby affecting the climatic influence of aerosols. To address these shortfalls, an extensive multiphase DMS chemistry mechanism, the Chemical Aqueous Phase Radical Mechanism DMS Module 1.0, was developed and used in detailed model investigations of multiphase DMS chemistry in the marine boundary layer. The performed model studies confirmed the importance of aqueous-phase chemistry for the fate of DMS and its oxidation products. Aqueous-phase processes significantly reduce the yield of sulfur dioxide and increase that of methyl sulfonic acid (MSA), which is needed to close the gap between modeled and measured MSA concentrations. Finally, the simulations imply that multiphase DMS oxidation produces equal amounts of MSA and sulfate, a result that has significant implications for nss-SO42- aerosol formation, cloud condensation nuclei concentration, and cloud albedo over oceans. Our findings show the deficiencies of parameterizations currently used in higher-scale models, which only treat gas-phase chemistry. Overall, this study shows that treatment of DMS chemistry in both gas and aqueous phases is essential to improve the accuracy of model predictions.

  3. Hydrolysis Studies and Quantitative Determination of Aluminum Ions Using [superscript 27]Al NMR: An Undergraduate Analytical Chemistry Experiment

    ERIC Educational Resources Information Center

    Curtin, Maria A.; Ingalls, Laura R.; Campbell, Andrew; James-Pederson, Magdalena

    2008-01-01

    This article describes a novel experiment focused on metal ion hydrolysis and the equilibria related to metal ions in aqueous systems. Using [superscript 27]Al NMR, the students become familiar with NMR spectroscopy as a quantitative analytical tool for the determination of aluminum by preparing a standard calibration curve using standard aluminum…

  4. Recent advances in crosslinking chemistry of biomimetic poly(ethylene glycol) hydrogels

    PubMed Central

    Lin, Chien-Chi

    2015-01-01

    The design and application of biomimetic hydrogels have become an important and integral part of modern tissue engineering and regenerative medicine. Many of these hydrogels are prepared from synthetic macromers (e.g., poly(ethylene glycol) or PEG) as they provide high degrees of tunability for matrix crosslinking, degradation, and modification. For a hydrogel to be considered biomimetic, it has to recapitulate key features that are found in the native extracellular matrix, such as the appropriate matrix mechanics and permeability, the ability to sequester and deliver drugs, proteins, and or nucleic acids, as well as the ability to provide receptor-mediated cell-matrix interactions and protease-mediated matrix cleavage. A variety of chemistries have been employed to impart these biomimetic features into hydrogel crosslinking. These chemistries, such as radical-mediated polymerizations, enzyme-mediated crosslinking, bio-orthogonal click reactions, and supramolecular assembly, may be different in their crosslinking mechanisms but are required to be efficient for gel crosslinking and ligand bioconjugation under aqueous reaction conditions. The prepared biomimetic hydrogels should display a diverse array of functionalities and should also be cytocompatible for in vitro cell culture and/or in situ cell encapsulation. The focus of this article is to review recent progress in the crosslinking chemistries of biomimetic hydrogels with a special emphasis on hydrogels crosslinked from poly(ethylene glycol)-based macromers. PMID:26029357

  5. Some recent advances in gold-based catalysis facilitated by aberration corrected analytical electron microscopy

    NASA Astrophysics Data System (ADS)

    Tiruvalam, R.; He, Q.; Herzing, A. A.; Pritchard, J.; Dimitratos, N.; Lopez-Sanchez, J. A.; Edwards, J. K.; Carley, A. F.; Hutchings, G. J.; Kiely, C. J.

    2012-07-01

    The recent availability of aberration corrected analytical electron microscopes (ACAEM) is revolutionizing our ability to characterize nanostructured catalyst materials. Some recent case studies are presented whereby the application of the high angle annular dark field (HAADF) imaging technique, coupled with STEM-XEDS analysis, has given us a more detailed and realistic view of the catalyst morphology. The examples chosen include supported Au catalysts for low temperature CO oxidation and supported AuPd bimetallic alloy catalysts for the direct production of H2O2.

  6. Analytical procedures for estimating structural response to acoustic fields generated by advanced launch systems, phase 2

    NASA Technical Reports Server (NTRS)

    Elishakoff, Isaac; Lin, Y. K.; Zhu, Li-Ping; Fang, Jian-Jie; Cai, G. Q.

    1994-01-01

    This report supplements a previous report of the same title submitted in June, 1992. It summarizes additional analytical techniques which have been developed for predicting the response of linear and nonlinear structures to noise excitations generated by large propulsion power plants. The report is divided into nine chapters. The first two deal with incomplete knowledge of boundary conditions of engineering structures. The incomplete knowledge is characterized by a convex set, and its diagnosis is formulated as a multi-hypothesis discrete decision-making algorithm with attendant criteria of adaptive termination.

  7. Analytical investigation of thermal barrier coatings for advanced power generation combustion turbines

    NASA Technical Reports Server (NTRS)

    Amos, D. J.

    1977-01-01

    An analytical evaluation was conducted to determine quantitatively the improvement potential in cycle efficiency and cost of electricity made possible by the introduction of thermal barrier coatings to power generation combustion turbine systems. The thermal barrier system, a metallic bond coat and yttria stabilized zirconia outer layer applied by plasma spray techniques, acts as a heat insulator to provide substantial metal temperature reductions below that of the exposed thermal barrier surface. The study results show the thermal barrier to be a potentially attractive means for improving performance and reducing cost of electricity for the simple, recuperated, and combined cycles evaluated.

  8. Analytical Challenges in Biotechnology.

    ERIC Educational Resources Information Center

    Glajch, Joseph L.

    1986-01-01

    Highlights five major analytical areas (electrophoresis, immunoassay, chromatographic separations, protein and DNA sequencing, and molecular structures determination) and discusses how analytical chemistry could further improve these techniques and thereby have a major impact on biotechnology. (JN)

  9. USSR Report, Chemistry.

    DTIC Science & Technology

    2007-11-02

    This chemistry Report from the USSR contains articles mainly on Adsorption, Analytical Chemistry, Biochemistry, Catalysis, Chemical Industry, Coal ... Gasification , Electrochemistry, Fertilizers, Food Technology, Inorganic Compounds, Nitrogen Compounds and Organometallic Compounds.

  10. Addressing fundamental architectural challenges of an activity-based intelligence and advanced analytics (ABIAA) system

    NASA Astrophysics Data System (ADS)

    Yager, Kevin; Albert, Thomas; Brower, Bernard V.; Pellechia, Matthew F.

    2015-06-01

    The domain of Geospatial Intelligence Analysis is rapidly shifting toward a new paradigm of Activity Based Intelligence (ABI) and information-based Tipping and Cueing. General requirements for an advanced ABIAA system present significant challenges in architectural design, computing resources, data volumes, workflow efficiency, data mining and analysis algorithms, and database structures. These sophisticated ABI software systems must include advanced algorithms that automatically flag activities of interest in less time and within larger data volumes than can be processed by human analysts. In doing this, they must also maintain the geospatial accuracy necessary for cross-correlation of multi-intelligence data sources. Historically, serial architectural workflows have been employed in ABIAA system design for tasking, collection, processing, exploitation, and dissemination. These simpler architectures may produce implementations that solve short term requirements; however, they have serious limitations that preclude them from being used effectively in an automated ABIAA system with multiple data sources. This paper discusses modern ABIAA architectural considerations providing an overview of an advanced ABIAA system and comparisons to legacy systems. It concludes with a recommended strategy and incremental approach to the research, development, and construction of a fully automated ABIAA system.

  11. Harmonising Adult and Paediatric Reference Intervals in Australia and New Zealand: An Evidence-Based Approach for Establishing a First Panel of Chemistry Analytes

    PubMed Central

    Tate, Jillian R; Sikaris, Ken A; Jones, Graham RD; Yen, Tina; Koerbin, Gus; Ryan, Julie; Reed, Maxine; Gill, Janice; Koumantakis, George; Hickman, Peter; Graham, Peter

    2014-01-01

    Scientific evidence supports the use of common reference intervals (RIs) for many general chemistry analytes, in particular those with sound calibration and traceability in place. Already the Nordic countries and United Kingdom have largely achieved harmonised RIs. Following a series of workshops organised by the Australasian Association of Clinical Biochemists (AACB) between 2012 and 2014 at which an evidence-based approach for determination of common intervals was developed, pathology organisations in Australia and New Zealand have reached a scientific consensus on what adult and paediatric intervals we should use across Australasia. The aim of this report is to describe the processes that the AACB and the Royal College of Pathologists of Australasia have taken towards recommending the implementation of a first panel of common RIs for use in Australasia. PMID:25678727

  12. Recent advances in medicinal chemistry and pharmaceutical technology--strategies for drug delivery to the brain.

    PubMed

    Denora, Nunzio; Trapani, Adriana; Laquintana, Valentino; Lopedota, Angela; Trapani, Giuseppe

    2009-01-01

    This paper provides a mini-review of some recent approaches for the treatment of brain pathologies examining both medicinal chemistry and pharmaceutical technology contributions. Medicinal chemistry-based strategies are essentially aimed at the chemical modification of low molecular weight drugs in order to increase their lipophilicity or the design of appropriate prodrugs, although this review will focus primarily on the use of prodrugs and not analog development. Recently, interest has been focused on the design and evaluation of prodrugs that are capable of exploiting one or more of the various endogenous transport systems at the level of the blood brain barrier (BBB). The technological strategies are essentially non-invasive methods of drug delivery to malignancies of the central nervous system (CNS) and are based on the use of nanosystems (colloidal carriers) such as liposomes, polymeric nanoparticles, solid lipid nanoparticles, polymeric micelles and dendrimers. The biodistribution of these nanocarriers can be manipulated by modifying their surface physico-chemical properties or by coating them with surfactants and polyethylene-glycols (PEGs). Liposomes, surfactant coated polymeric nanoparticles, and solid lipid nanoparticles are promising systems for delivery of drugs to tumors of the CNS. This mini-review discusses issues concerning the scope and limitations of both the medicinal chemistry and technological approaches. Based on the current findings, it can be concluded that crossing of the BBB and drug delivery to CNS is extremely complex and requires a multidisciplinary approach such as a close collaboration and common efforts among researchers of several scientific areas, particularly medicinal chemists, biologists and pharmaceutical technologists.

  13. An overview on the advances of Gymnema sylvestre: chemistry, pharmacology and patents.

    PubMed

    Porchezhian, E; Dobriyal, R M

    2003-01-01

    Chemistry and pharmacology of Gymnema sylvestre is reviewed relying on research papers and patent literature. Extracts of this plant are widely used in Australian, Japananese, Vietnamese and Indian folk medicine. Gymnema preparations have a profound action on the modulation of taste, particularly suppressing sweet taste sensations. It is used in the treatment of diabetes mellitus and in food additives against obesity and caries. Anti-allergic, antiviral, lipid lowering and other effects are also reported. From a technological point of view, muchefforts have been made to mask the biter taste of Gymnema preparations.

  14. Recent Advances in Boron-Substituted 1,3-Dienes Chemistry: Synthesis and Application.

    PubMed

    Pyziak, Jadwiga; Walkowiak, Jędrzej; Marciniec, Bogdan

    2017-03-13

    In the syntheses developed to access naturally occurring compounds, especially bioactive substances, boron-functionalized dienes (also "linchpin" reagents) are used as key reagents. Structurally unique dienes are found in nature, and play important biological and chemical roles. Recently, linchpin moieties have been proved as useful substrates for a variety of highly functionalized chemical transformations. The products of these processes are potentially of some use for the syntheses of an important class of natural products showing a wide range of biological activities. This review describes progress in the synthesis of borylsubstituted buta-1,3-dienes as well as their application in organic chemistry.

  15. Recent advances in the chemistry of Rh carbenoids: multicomponent reactions of diazocarbonyl compounds

    NASA Astrophysics Data System (ADS)

    Medvedev, J. J.; Nikolaev, V. A.

    2015-07-01

    Multicomponent reactions of diazo compounds catalyzed by RhII complexes become a powerful tool for organic synthesis. They enable three- or four-step processes to be carried out as one-pot procedures (actually as one step) with high stereoselectivity to give complex organic molecules, including biologically active compounds. This review addresses recent results in the chemistry of Rh-catalyzed multicomponent reactions of diazocarbonyl compounds with the intermediate formation of N-, O- and C=O-ylides. The diastereo- and enantioselectivity of these reactions and the possibility of using various co-catalysts to increase the efficiency of the processes under consideration are discussed. The bibliography includes 120 references.

  16. Advanced brine chemistry program. DOE Quarterly report, January 1, 1998--March 31, 1998

    SciTech Connect

    Moller, N.; Weare, J.

    1998-05-01

    Due to space limitations, the Chemistry Department Computer Center put some of our software routines on an old disk. This disk subsequently crashed. Since the Center had failed to back-up this space, the routines were lost. The Center acknowledges their error and has agreed to reimburse the grant for the lost time. We are now negotiating the amount of time the lost routines represent. Fortunately, data files, input and output files, models and reports were not affected by this lost. The present assessment is that several fitting codes for creating TEQUEL models and GEOFLUIDS models were lost.Fluid studies, equations of state, enthalpy models, and software improvements are discussed.

  17. Analytical performance evaluation of ADVIA Chemistry Carbamazepine_2 assay: minimal cross-reactivity with carbamazepine 10, 11-epoxide and none with hydroxyzine or cetirizine.

    PubMed

    Dasgupta, Amitava; Reyes, Meredith A; Davis, Barbara G; Marlow, Anne M; Johnson, Myrtle

    2010-01-01

    Carbamazepine is an anticonvulsant requiring routine therapeutic drug monitoring. Recently, Siemens Healthcare Diagnostic Division released a new carbamazepine assay: ADVIA Chemistry Carbamazepine_2 (Carbamazepine_2) for application on ADVIA analyzers. We evaluated the analytical performance of this assay as well as its potential cross-reactivities with carbamazepine 10, 11-epoxide, hydroxyzine, and cetirizine. The within-run and between-run precisions of the Carbamzepine-2 assay were <6% and limit of detection was 0.5 microg/ml using ADVIA 1800 analyzer. The assay was linear up to a carbamazepine concentration of 20.0 microg/ml. The new method compared well with a widely used carbamazepine EMIT 2000 assay on the Hitachi 917 analyzer. Using 75 patients' specimens (where carbamazepine concentrations varied from 0.5 to 21.7 microg/ml) and carbamazepine EMIT 2000 as the reference method (x-axis), we observed the following regression equation: y=1.04 x+0.32 (r=0.99). The new carbazepine_2 method was not affected by a hemoglobin concentration of 1,000 mg/dl, conjugated or unconjugated bilirubin concentration of 60 mg/dl, and triglyceride concentration of 1,000 mg/dl. In addition, this assay showed no cross-reactivity with hydroxyzine or cetirizine and demonstrated minimal cross-reactivity with carbamazepine 10, 11-epoxide. We conclude that the ADVIA Chemistry carbamazepine_2 assay has adequate precision and accuracy for routine therapeutic drug monitoring of carbamazepine in clinical laboratories.

  18. Evaluation Methodology for Advance Heat Exchanger Concepts Using Analytical Hierarchy Process

    SciTech Connect

    Piyush Sabharwall; Eung Soo Kim

    2012-07-01

    The primary purpose of this study is to aid in the development and selection of the secondary/process heat exchanger (SHX) for power production and process heat application for a Next Generation Nuclear Reactors (NGNR). The potential options for use as an SHX are explored such as shell and tube, printed circuit heat exchanger. A shell and tube (helical coiled) heat exchanger is a recommended for a demonstration reactor because of its reliability while the reactor design is being further developed. The basic setup for the selection of the SHX has been established with evaluation goals, alternatives, and criteria. This study describes how these criteria and the alternatives are evaluated using the analytical hierarchy process (AHP).

  19. [Advance of studies on metabolic fingerprinting analytical techniques and data processing methods].

    PubMed

    Gao, Jian; Yang, Geng-liang; Yang, Hong-jun; Xu, Hai-yu; Li, Shao-jing

    2012-09-01

    Metabolomics is an emerging discipline subsequent to genomics, transcriptomics and proteomics, aiming for systematically studying the regularity of changes in metabolite to revealing organism's nature of movement and metabolism. It is especially important in modern pharmacological studies. Metabolic fingerprinting analysis is a method for metabolic analysis on high throughput of all metabolites, studying changes in drugs, organisms and endogenic metabolites caused by drugs and finding out related biomarkers to reflect dynamic changes inside organisms more directly and explain the mechanism of drugs and their effects on diseases. This essay summarizes some new metabolic fingerprint analytical methods and data processing methods used for metabolic fingerprint, elaborates their advantages and disadvantages and looks ahead to their combination with studies on traditional Chinese medicines, providing room for the development of new methods and new approaches for studies on complexity theory system of traditional Chinese medicines.

  20. Isotope and Nuclear Chemistry Division annual report, FY 1983

    SciTech Connect

    Heiken, J.H.; Lindberg, H.A.

    1984-05-01

    This report describes progress in the major research and development programs carried out in FY 1983 by the Isotope and Nuclear Chemistry Division. It covers radiochemical diagnostics of weapons tests; weapons radiochemical diagnostics research and development; other unclassified weapons research; stable and radioactive isotope production, separation, and applications (including biomedical applications); element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced analytical techniques; development and applications; atmospheric chemistry and transport; and earth and planetary processes.

  1. Recent advances in the medicinal chemistry of the metabotropic glutamate receptor 1 (mGlu₁).

    PubMed

    Owen, Dafydd R

    2011-08-17

    This Review summarizes the medicinal chemistry found in publications on both orthosteric and allosteric modulators of the metabotropic glutamate receptor 1 (mGlu(1)) from 2005 to the present. The time period covered by the scope of this current review has been particularly rich in mGlu(1)-related publications with numbers quadrupling when compared to the preceding five year period of 2000-2005. Publications in the field peaked in 2007 with over 35 articles appearing in the peer reviewed literature in the course of that year. Given that glutamate is one of the primary excitatory neurotransmitters in the mammalian central nervous system (CNS), it is unsurprising that it acts upon several receptors that are considered to be of potential therapeutic interest for many indications. Orthosteric and allosteric modulation of the receptor is possible, with a logical extrapolation to the chemotypes used for each strategy. The last five years of publications have yielded many mGlu(1) selective antagonist chemotypyes, most of which have shown efficacy in pain in vivo models. However, the primary impact of these compounds has been to highlight the mechanistic safety risks of mGlu(1) antagonism, independent of chemotype. As a review in medicinal chemistry, the primary focus of this paper will be on the design and, to a lesser degree, synthetic strategies for the delivery of subtype selective, CNS penetrant, druglike compounds through a "medchem" program, targeting modulators of the mGlu(1) receptor.

  2. Leveraging Smart Meter Data through Advanced Analytics: Applications to Building Energy Efficiency

    NASA Astrophysics Data System (ADS)

    Jalori, Saurabh

    The poor energy efficiency of buildings is a major barrier to alleviating the energy dilemma. Historically, monthly utility billing data was widely available and analytical methods for identifying building energy efficiency improvements, performing building Monitoring and Verification (M&V) and continuous commissioning (CCx) were based on them. Although robust, these methods were not sensitive enough to detect a number of common causes for increased energy use. In recent years, prevalence of short-term building energy consumption data, also known as Energy Interval Data (EID), made available through the Smart Meters, along with data mining techniques presents the potential of knowledge discovery inherent in this data. This allows more sophisticated analytical tools to be developed resulting in greater sensitivities due to higher prediction accuracies; leading to deep energy savings and highly efficient building system operations. The research explores enhancements to Inverse Statistical Modeling techniques due to the availability of EID. Inverse statistical modeling is the process of identification of prediction model structure and estimates of model parameters. The methodology is based on several common statistical and data mining techniques: cluster analysis for day typing, outlier detection and removal, and generation of building scheduling. Inverse methods are simpler to develop and require fewer inputs for model identification. They can model changes in energy consumption based on changes in climatic variables and up to a certain extent, occupancy. This makes them easy-to-use and appealing to building managers for evaluating any general retrofits, building condition monitoring, continuous commissioning and short-term load forecasting (STLF). After evaluating several model structures, an elegant model form was derived which can be used to model daily energy consumption; which can be extended to model energy consumption for any specific hour by adding corrective

  3. Recent advances in chemical functionalization of nanoparticles with biomolecules for analytical applications.

    PubMed

    Oh, Ju-Hwan; Park, Do Hyun; Joo, Jang Ho; Lee, Jae-Seung

    2015-11-01

    The recent synthetic development of a variety of nanoparticles has led to their widespread application in diagnostics and therapeutics. In particular, the controlled size and shape of nanoparticles precisely determine their unique chemical and physical properties, which is highly attractive for accurate analysis of given systems. In addition to efforts toward controlling the synthesis and properties of nanoparticles, the surface functionalization of nanoparticles with biomolecules has been intensively investigated since the mid-1990s. The complicated yet programmable properties of biomolecules have proved to substantially enhance and enrich the novel functions of nanoparticles to achieve "smart" nanoparticle materials. In this review, the advances in chemical functionalization of four types of representative nanoparticle with DNA and protein molecules in the past five years are critically reviewed, and their future trends are predicted.

  4. Fatty Acids in Membranes as Homeostatic, Metabolic and Nutritional Biomarkers: Recent Advancements in Analytics and Diagnostics

    PubMed Central

    Ferreri, Carla; Masi, Annalisa; Sansone, Anna; Giacometti, Giorgia; Larocca, Anna Vita; Menounou, Georgia; Scanferlato, Roberta; Tortorella, Silvia; Rota, Domenico; Conti, Marco; Deplano, Simone; Louka, Maria; Maranini, Anna Rosaria; Salati, Arianna; Sunda, Valentina; Chatgilialoglu, Chryssostomos

    2016-01-01

    Fatty acids, as structural components of membranes and inflammation/anti-inflammatory mediators, have well-known protective and regulatory effects. They are studied as biomarkers of pathological conditions, as well as saturated and unsaturated hydrophobic moieties in membrane phospholipids that contribute to homeostasis and physiological functions. Lifestyle, nutrition, metabolism and stress—with an excess of radical and oxidative processes—cause fatty acid changes that are examined in the human body using blood lipids. Fatty acid-based membrane lipidomics represents a powerful diagnostic tool for assessing the quantity and quality of fatty acid constituents and also for the follow-up of the membrane fatty acid remodeling that is associated with different physiological and pathological conditions. This review focuses on fatty acid biomarkers with two examples of recent lipidomic research and health applications: (i) monounsaturated fatty acids and the analytical challenge offered by hexadecenoic fatty acids (C16:1); and (ii) the cohort of 10 fatty acids in phospholipids of red blood cell membranes and its connections to metabolic and nutritional status in healthy and diseased subjects. PMID:28025506

  5. Advanced qualification of pharmaceutical excipient suppliers by multiple analytics and multivariate analysis combined.

    PubMed

    Hertrampf, A; Müller, H; Menezes, J C; Herdling, T

    2015-11-10

    Pharmaceutical excipients have different functions within a drug formulation, consequently they can influence the manufacturability and/or performance of medicinal products. Therefore, critical to quality attributes should be kept constant. Sometimes it may be necessary to qualify a second supplier, but its product will not be completely equal to the first supplier product. To minimize risks of not detecting small non-similarities between suppliers and to detect lot-to-lot variability for each supplier, multivariate data analysis (MVA) can be used as a more powerful alternative to classical quality control that uses one-parameter-at-a-time monitoring. Such approach is capable of supporting the requirements of a new guideline by the European Parliament and Council (2015/C-95/02) demanding appropriate quality control strategies for excipients based on their criticality and supplier risks in ensuring quality, safety and function. This study compares calcium hydrogen phosphate from two suppliers. It can be assumed that both suppliers use different manufacturing processes. Therefore, possible chemical and physical differences were investigated by using Raman spectroscopy, laser diffraction and X-ray powder diffraction. Afterwards MVA was used to extract relevant information from each analytical technique. Both CaHPO4 could be discriminated by their supplier. The gained knowledge allowed to specify an enhanced strategy for second supplier qualification.

  6. Advanced organic analysis and analytical methods development: FY 1995 progress report. Waste Tank Organic Safety Program

    SciTech Connect

    Wahl, K.L.; Campbell, J.A.; Clauss, S.A.

    1995-09-01

    This report describes the work performed during FY 1995 by Pacific Northwest Laboratory in developing and optimizing analysis techniques for identifying organics present in Hanford waste tanks. The main focus was to provide a means for rapidly obtaining the most useful information concerning the organics present in tank waste, with minimal sample handling and with minimal waste generation. One major focus has been to optimize analytical methods for organic speciation. Select methods, such as atmospheric pressure chemical ionization mass spectrometry and matrix-assisted laser desorption/ionization mass spectrometry, were developed to increase the speciation capabilities, while minimizing sample handling. A capillary electrophoresis method was developed to improve separation capabilities while minimizing additional waste generation. In addition, considerable emphasis has been placed on developing a rapid screening tool, based on Raman and infrared spectroscopy, for determining organic functional group content when complete organic speciation is not required. This capability would allow for a cost-effective means to screen the waste tanks to identify tanks that require more specialized and complete organic speciation to determine tank safety.

  7. Application of nanotechnology in miniaturized systems and its use for advanced analytics and diagnostics - an updated review.

    PubMed

    Sandetskaya, Natalia; Allelein, Susann; Kuhlmeier, Dirk

    2013-12-01

    A combination of Micro-Electro-Mechanical Systems and nanoscale structures allows for the creation of novel miniaturized devices, which broaden the boundaries of the diagnostic approaches. Some materials possess unique properties at the nanolevel, which are different from those in bulk materials. In the last few years these properties became a focus of interest for many researchers, as well as methods of production, design and operation of the nanoobjects. Intensive research and development work resulted in numerous inventions exploiting nanotechnology in miniaturized systems. Modern technical and laboratory equipment allows for the precise control of such devices, making them suitable for sensitive and accurate detection of the analytes. The current review highlights recent patents in the field of nanotechnology in microdevices, applicable for medical, environmental or food analysis. The paper covers the structural and functional basis of such systems and describes specific embodiments in three principal branches: application of nanoparticles, nanofluidics, and nanosensors in the miniaturized systems for advanced analytics and diagnostics. This overview is an update of an earlier review article.

  8. Effects of Tailored Surface Chemistry on Desorption Electrospray Ionization Mass Spectrometry: a Surface-Analytical Study by XPS and AFM

    NASA Astrophysics Data System (ADS)

    Penna, Andrea; Careri, Maria; Spencer, Nicholas D.; Rossi, Antonella

    2015-08-01

    Since it was proposed for the first time, desorption electrospray ionization-mass spectrometry (DESI-MS) has been evaluated for applicability in numerous areas. Elucidations of the ionization mechanisms and the subsequent formation of isolated gas-phase ions have been proposed so far. In this context, the role of both surface and pneumatic effects on ion-formation yield has recently been investigated. Nevertheless, the effect of the surface chemistry has not yet been completely understood. Functionalized glass surfaces have been prepared, in order to tailor surface performance for ion formation. Three substrates were functionalized by depositing three different silanes [3-mercaptopropyltriethoxysilane (MTES), octyltriethoxysilane (OTES), and 1H,1H,2H,2H-perfluorooctyltriethoxy-silane (FOTES)] from toluene solution onto standard glass slides. Surface characterization was carried out by contact-angle measurements, tapping-mode atomic force microscopy, and X-ray photoelectron spectroscopy. Morphologically homogeneous and thickness-controlled films in the nm range were obtained, with surface free energies lying between 15 and 70 mJ/m2. These results are discussed, together with those of DESI-MS on low-molecular-weight compounds such as melamine, tetracycline, and lincomycin, also taking into account the effects of the sprayer potential and its correlation with surface wettability. The results demonstrate that ion-formation efficiency is affected by surface wettability, and this was demonstrated operating above and below the onset of the electrospray.

  9. ;Click; analytics for ;click; chemistry - A simple method for calibration-free evaluation of online NMR spectra

    NASA Astrophysics Data System (ADS)

    Michalik-Onichimowska, Aleksandra; Kern, Simon; Riedel, Jens; Panne, Ulrich; King, Rudibert; Maiwald, Michael

    2017-04-01

    Driven mostly by the search for chemical syntheses under biocompatible conditions, so called ;click; chemistry rapidly became a growing field of research. The resulting simple one-pot reactions are so far only scarcely accompanied by an adequate optimization via comparably straightforward and robust analysis techniques possessing short set-up times. Here, we report on a fast and reliable calibration-free online NMR monitoring approach for technical mixtures. It combines a versatile fluidic system, continuous-flow measurement of 1H spectra with a time interval of 20 s per spectrum, and a robust, fully automated algorithm to interpret the obtained data. As a proof-of-concept, the thiol-ene coupling between N-boc cysteine methyl ester and allyl alcohol was conducted in a variety of non-deuterated solvents while its time-resolved behaviour was characterized with step tracer experiments. Overlapping signals in online spectra during thiol-ene coupling could be deconvoluted with a spectral model using indirect hard modeling and were subsequently converted to either molar ratios (using a calibration-free approach) or absolute concentrations (using 1-point calibration). For various solvents the kinetic constant k for pseudo-first order reaction was estimated to be 3.9 h-1 at 25 °C. The obtained results were compared with direct integration of non-overlapping signals and showed good agreement with the implemented mass balance.

  10. "Click" analytics for "click" chemistry - A simple method for calibration-free evaluation of online NMR spectra.

    PubMed

    Michalik-Onichimowska, Aleksandra; Kern, Simon; Riedel, Jens; Panne, Ulrich; King, Rudibert; Maiwald, Michael

    2017-03-01

    Driven mostly by the search for chemical syntheses under biocompatible conditions, so called "click" chemistry rapidly became a growing field of research. The resulting simple one-pot reactions are so far only scarcely accompanied by an adequate optimization via comparably straightforward and robust analysis techniques possessing short set-up times. Here, we report on a fast and reliable calibration-free online NMR monitoring approach for technical mixtures. It combines a versatile fluidic system, continuous-flow measurement of (1)H spectra with a time interval of 20s per spectrum, and a robust, fully automated algorithm to interpret the obtained data. As a proof-of-concept, the thiol-ene coupling between N-boc cysteine methyl ester and allyl alcohol was conducted in a variety of non-deuterated solvents while its time-resolved behaviour was characterized with step tracer experiments. Overlapping signals in online spectra during thiol-ene coupling could be deconvoluted with a spectral model using indirect hard modeling and were subsequently converted to either molar ratios (using a calibration-free approach) or absolute concentrations (using 1-point calibration). For various solvents the kinetic constant k for pseudo-first order reaction was estimated to be 3.9h(-1) at 25°C. The obtained results were compared with direct integration of non-overlapping signals and showed good agreement with the implemented mass balance.

  11. Free Radical Addition Polymerization Kinetics without Steady-State Approximations: A Numerical Analysis for the Polymer, Physical, or Advanced Organic Chemistry Course

    ERIC Educational Resources Information Center

    Iler, H. Darrell; Brown, Amber; Landis, Amanda; Schimke, Greg; Peters, George

    2014-01-01

    A numerical analysis of the free radical addition polymerization system is described that provides those teaching polymer, physical, or advanced organic chemistry courses the opportunity to introduce students to numerical methods in the context of a simple but mathematically stiff chemical kinetic system. Numerical analysis can lead students to an…

  12. Recent advances in the medicinal chemistry of novel erythromycin-derivatized antibiotics.

    PubMed

    Ying, Lu; Tang, Datong

    2010-01-01

    Development of novel erythromycin-based antibiotics has been one of the most studied topics in the past three decades. Such tremendous efforts have generated a number of beneficiary drugs such as clarithromycin, azithromycin and telithromycin. However, widespread application of antibiotics in clinical practice has triggered an increasing emergence of bacterial resistance. Therefore, discovery of novel macrolide antibiotics to suppress the resistance is urgent for human healthcare. This review focuses on advances in the area since 2004.

  13. Advanced Image Acquisition and Analytical Techniques for Studies of Living Cells and Tissue Sections.

    PubMed

    Franek, Michal; Suchánková, Jana; Sehnalová, Petra; Krejčí, Jana; Legartová, Soňa; Kozubek, Stanislav; Večeřa, Josef; Sorokin, Dmitry V; Bártová, Eva

    2016-04-01

    Studies on fixed samples or genome-wide analyses of nuclear processes are useful for generating snapshots of a cell population at a particular time point. However, these experimental approaches do not provide information at the single-cell level. Genome-wide studies cannot assess variability between individual cells that are cultured in vitro or originate from different pathological stages. Immunohistochemistry and immunofluorescence are fundamental experimental approaches in clinical laboratories and are also widely used in basic research. However, the fixation procedure may generate artifacts and prevents monitoring of the dynamics of nuclear processes. Therefore, live-cell imaging is critical for studying the kinetics of basic nuclear events, such as DNA replication, transcription, splicing, and DNA repair. This review is focused on the advanced microscopy analyses of the cells, with a particular focus on live cells. We note some methodological innovations and new options for microscope systems that can also be used to study tissue sections. Cornerstone methods for the biophysical research of living cells, such as fluorescence recovery after photobleaching and fluorescence resonance energy transfer, are also discussed, as are studies on the effects of radiation at the individual cellular level.

  14. Advanced Research and Data Methods in Women's Health: Big Data Analytics, Adaptive Studies, and the Road Ahead.

    PubMed

    Macedonia, Christian R; Johnson, Clark T; Rajapakse, Indika

    2017-02-01

    Technical advances in science have had broad implications in reproductive and women's health care. Recent innovations in population-level data collection and storage have made available an unprecedented amount of data for analysis while computational technology has evolved to permit processing of data previously thought too dense to study. "Big data" is a term used to describe data that are a combination of dramatically greater volume, complexity, and scale. The number of variables in typical big data research can readily be in the thousands, challenging the limits of traditional research methodologies. Regardless of what it is called, advanced data methods, predictive analytics, or big data, this unprecedented revolution in scientific exploration has the potential to dramatically assist research in obstetrics and gynecology broadly across subject matter. Before implementation of big data research methodologies, however, potential researchers and reviewers should be aware of strengths, strategies, study design methods, and potential pitfalls. Examination of big data research examples contained in this article provides insight into the potential and the limitations of this data science revolution and practical pathways for its useful implementation.

  15. Analytical and experimental evaluation of joining silicon nitride to metal and silicon carbide to metal for advanced heat engine applications

    SciTech Connect

    Kang, S.; Selverian, J.H.; Kim, H.; O'Niel, D.; Kim, K. )

    1990-04-01

    This report summarizes the results of Phase I of Analytical and Experimental Evaluation of Joining Silicon Nitride to Metal and Silicon Carbide to Metal and Silicon Carbide to Metal for Advanced Heat Engine Applications. A general methodology was developed to optimize the joint geometry and material systems for 650 and 950{degree}C applications. Failure criteria were derived to predict the fracture of the braze and ceramic. Extensive finite element analyses (FEA), using ABAQUS code, were performed to examine various joint geometries and to evaluate the affect of different interlayers on the residual stress state. Also, material systems composed of coating materials, interlayers, and braze alloys were developed for the program based on the chemical stability and strength of the joints during processing and service. Finally, the FEA results were compared with experiments using an idealized strength relationship. The results showed that the measured strength of the joint reached 30--90% of the strength by predicted by FEA. Overall results demonstrated that FEA is an effective tool for designing the geometries of ceramic-metal joints and that joining by brazing is a relevant method for advanced heat engine applications. 33 refs., 54 figs., 36 tabs.

  16. An overview of silica in biology: its chemistry and recent technological advances.

    PubMed

    Perry, Carole C

    2009-01-01

    Biomineralisation is widespread in the biological world and occurs in bacteria, single-celled protists, plants, invertebrates and vertebrates. Minerals formed in the biological environment often show unusual physical properties (e.g. strength, degree of hydration) and often have structures that exhibit order on many length scales. Biosilica, found in single cell organisms through to higher plants and primitive animals (sponges), is formed from an environment that is undersaturated with respect to silicon and under conditions of around neutral pH and low temperature, ca. 4-40 degrees C. Formation of the mineral may occur intra- or extra-cellularly, and specific biochemical locations for mineral deposition that include lipids, proteins and carbohydrates are known. In most cases, the formation of the mineral phase is linked to cellular processes, understanding of which could lead to the design of new materials for biomedical, optical and other applications. This Chapter briefly describes the occurrence of silica in biology including known roles for the mineral phase, the chemistry of the material, the associated biomolecules and some recent applications of this knowledge in materials chemistry.The terminology which is used in this and other contributions within this volume is as follows: Si: the chemical symbol for the element and the generic term used when the nature of the specific silicon compound is not known. Si(OH) ( 4 ): orthosilicic acid, the fundamental building block used in the formation of silicas. SiO ( 2 ) x nH ( 2 ) O or SiO ( 2-x ) (OH) ( 2x ) x 2H ( 2 ) O: amorphous, hydrated, polymerised material. Oligomerisation: the formation of dimers and small oligomers from orthosilicic acid by removal of water. For example, 2Si(OH)(4) <--> (HO)(3)Si-O-Si(OH)(3) + H(2)O Polymerisation: the mutual condensation of silicic acid to give molecularly coherent units of increasing size. Organosilicon compound: must contain silicon covalently bonded to carbon within a

  17. Evaluation of innovative stationary phase ligand chemistries and analytical conditions for the analysis of basic drugs by supercritical fluid chromatography.

    PubMed

    Desfontaine, Vincent; Veuthey, Jean-Luc; Guillarme, Davy

    2016-03-18

    Similar to reversed phase liquid chromatography, basic compounds can be highly challenging to analyze by supercritical fluid chromatography (SFC), as they tend to exhibit poor peak shape, especially those with high pKa values. In this study, three new stationary phase ligand chemistries available in sub -2 μm particle sizes, namely 2-picolylamine (2-PIC), 1-aminoanthracene (1-AA) and diethylamine (DEA), were tested in SFC conditions for the analysis of basic drugs. Due to the basic properties of these ligands, it is expected that the repulsive forces may improve peak shape of basic substances, similarly to the widely used 2-ethypyridine (2-EP) phase. However, among the 38 tested basic drugs, less of 10% displayed Gaussian peaks (asymmetry between 0.8 and 1.4) using pure CO2/methanol on these phases. The addition of 10mM ammonium formate as mobile phase additive, drastically improved peak shapes and increased this proportion to 67% on 2-PIC. Introducing the additive in the injection solvent rather than in the organic modifier, gave acceptable results for 2-PIC only, with 31% of Gaussian peaks with an average asymmetry of 1.89 for the 38 selected basic drugs. These columns were also compared to hybrid silica (BEH), DIOL and 2-EP stationary phases, commonly employed in SFC. These phases commonly exhibit alternative retention and selectivity. In the end, the two most interesting ligands used as complementary columns were 2-PIC and BEH, as they provided suitable peak shapes for the basic drugs and almost orthogonal selectivities.

  18. Spectroscopic Studies on Physicochemical Natures of Ion Exchangers and Highly Functional Polymers and Their Application to Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Yoshimura, Kazuhisa

    The absorption spectra or NMR spectra of chemical species adsorbed on ion exchangers and highly functional polymers such as crosslinked dextran could be directly measured by the corresponding solution methods. Spectrophotometric measurements of a target species in the solid phase have been extended to solid phase spectrometry (SPS), based on the direct measurement of light-absorption by the solid phase, which has adsorbed the target analyte. SPS has employed two different procedures; i.e., batch and flow methods. The Lambert-Beer law could be applicable to the solid particle layer system. The sensitivity was proportional to the volume ratio of the solid and sample solution, giving more than 100 times the sensitivity obtainable with the combination of a 0.1 cm3 solid and a 10-100 cm3 sample for the batch method. An online measurement of the light attenuation by the adsorbed species in the flow-through cell made it possible to both significantly reduce the sample solution volume and to simplify the respective procedures for the derivatization of the analyte and packing the solid particles into the cell. Because the cross-linked dextran and similar glucopyranoside-based gels have polyol moieties in their gel matrix, they could be used as oxo acid-selective adsorbents without introducing any special functional groups. Especially, in the case of boric acid, 11B NMR spectroscopy was one of the best tools for elucidating the nature of the interaction between boric acid/borate and polyols. Its combination with other methods enabled basic understanding of the chemical reactions. Reaction paths for 1:1 complexation are in general divided into two groups, i.e., neutral polyols that directly react with tetrahedral borate, and acidic polyols that react with trigonal boric acid in a 1:1 complexation. Both of the reactions produce tetrahedral anionic complexes, followed by a condensation reaction between the 1:1 monochelate complex and the undissociated diols to yield the 1

  19. Probing the bioinorganic chemistry of toxic metals in the mammalian bloodstream to advance human health.

    PubMed

    Gailer, Jürgen

    2012-03-01

    The etiology of numerous grievous human diseases, including Alzheimer's and Parkinson's Disease is not well understood. Conversely, the concentration toxic metals and metalloids, such as As, Cd, Hg and Pb in human blood of the average population is well established, yet we know strikingly little about the role that they might play in the etiology of disease processes. Establishing functional connections between the chronic exposure of humans to these and other inorganic pollutants and the etiology of certain human diseases is therefore viewed by many as one of the greatest challenges in the post-genomic era. Conceptually, this task requires us to uncover hitherto unknown biomolecular mechanisms which must explain how small doses of a toxic metal/metalloid compound (low μg per day) - or mixtures thereof - may eventually result in a particular human disease. The biological complexity that is inherently associated with mammals, however, makes the discovery of these mechanisms a truly monumental task. Recent findings suggest that a better understanding of the bioinorganic chemistry of inorganic pollutants in the mammalian bloodstream represents a fruitful strategy to unravel relevant biomolecular mechanisms. The adverse effect(s) that toxic metals/metalloid compounds exert on the transport of essential ultratrace elements to internal organs appear particularly pertinent. A brief overview of the effect that arsenite and Hg(2+) exert on the mammalian metabolism of selenium is presented.

  20. Optoacoustic spectroscopy for real-time monitoring of strongly light-absorbing solutions in applications to analytical chemistry.

    PubMed

    Filimonova, Tatyana A; Volkov, Dmitry S; Proskurnin, Mikhail A; Pelivanov, Ivan M

    2013-12-01

    An optoacoustic technique for solutions of strongly light-absorbing analytes at 0.1-0.01 mol l(-1) is proposed. The technique is based on the wide-band forward mode detection of temporal profiles of laser-generated ultrasonic pulses (optoacoustic signals). The leading edge of the signal repeats the distribution of the laser fluence in the medium, which makes it possible to determine its optical absorption and investigate its dynamics during a reaction. The range of light-absorption coefficients starts from 1 to 5 and reaches 10(4) to 10(5) cm(-1). The determination of iron(II) as ferroin shows the possibility of probing 0.1 mol l(-1) of iron(II), which was not previously achieved for this reaction by optical spectroscopy. To further prove the concept, kinetic measurements for ferroin decomposition at the level of 0.1 mol l(-1) and at high pHs are performed. The results are compared with spectrophotometry at lower concentrations and show good reproducibility and accuracy of kinetic constants.

  1. Temperature-controlled micro-TLC: a versatile green chemistry and fast analytical tool for separation and preliminary screening of steroids fraction from biological and environmental samples.

    PubMed

    Zarzycki, Paweł K; Slączka, Magdalena M; Zarzycka, Magdalena B; Bartoszuk, Małgorzata A; Włodarczyk, Elżbieta; Baran, Michał J

    2011-11-01

    whole range of target substances as well as chemo-taxonomic studies and fingerprinting of complex mixtures, which are present in biological or environmental samples. Due to low consumption of eluent (usually 0.3-1mL/run) mainly composed of water-alcohol binary mixtures, this method can be considered as environmentally friendly and green chemistry focused analytical tool, supplementary to analytical protocols involving column chromatography or planar micro-fluidic devices.

  2. Decadal Simulation and Comprehensive Evaluation of CESM/CAM5 with Advanced Chemistry, Aerosol Microphysics, and Aerosol-Cloud Interactions

    NASA Astrophysics Data System (ADS)

    He, J.; Glotfelty, T.; Zhang, Y.

    2013-12-01

    Community Earth System Model (CESM) is a global Earth system model that was developed by National Center for Atmospheric Research (NCAR) to simulate the entire Earth system by coupling physical climate system with chemistry, biogeochemistry, biology and human systems. It can also quantify the certainties and uncertainties in Earth system feedbacks on time scales up to centuries and longer. The Community Atmosphere Model version 5.1 (CAM5.1) is the atmosphere component of CESM version 1.0.5. CESM/CAM5.1 has been applied by NCAR to simulate climate change as part of the Intergovernmental Panel on Climate Change (IPCC) Fifth Assessment Report (AR5). The IPCC-AR5 indicates that the uncertainties associated with cloud, aerosol, and their feedbacks, as well as uncertainties in near- and long-term projections are emerging issues to be addressed by the scientific community. CESM/CAM5.1 has been recently further developed and improved with advanced treatments for gas-phase chemistry, aerosol chemistry and dynamics, and aerosol-cloud interactions by North Carolina State University (NCSU) to reduce the uncertainties associated with those treatments in the model predictions. Our ultimate goal is to enhance CESM/CAM5's capability in representing current atmosphere and projecting future climate change. In this work, as the first step toward this goal, the NCSU's version of CESM/CAM5 with those advanced treatments is applied for 2001-2010, which will provide valuable information about the model's capability in capturing the decadal variation trend in climate and its potential in projecting future climate changes. The model simulation is conducted at a horizontal resolution of 0.9o × 1.25o and a vertical resolution of 30 layers. The simulation results based on 10-year average are evaluated comprehensively with a variety of datasets, including global surface observations of meteorological and radiative variables; satellite observations of the column mass of chemical species and

  3. Assembly of a Modular Fluorimeter and Associated Software: Using LabVIEW in an Advanced Undergraduate Analytical Chemistry Laboratory

    ERIC Educational Resources Information Center

    Algar, W. Russ; Massey, Melissa; Krull, Ulrich J.

    2009-01-01

    A laboratory activity for an upper-level undergraduate course in instrumental analysis has been created around LabVIEW. Students learn rudimentary programming and interfacing skills during the construction of a fluorimeter assembled from common modular components. The fluorimeter consists of an inexpensive data acquisition module, LED light…

  4. A role for analytical chemistry in advancing our understanding of the occurrence, fate, and effects of Corexit Oil Dispersants

    USGS Publications Warehouse

    Place, Ben; Anderson, Brian; Mekebri, Abdou; Furlong, Edward T.; Gray, James L.; Tjeerdema, Ron; Field, Jennifer

    2010-01-01

    On April 24, 2010, the sinking of the Deepwater Horizon oil rig resulted in the release of oil into the Gulf of Mexico. As of July 19, 2010, the federal government's Deepwater Horizon Incident Joint Information Center estimates the cumulative range of oil released is 3,067,000 to 5,258,000 barrels, with a relief well to be completed in early August. By comparison, the Exxon Valdez oil spill released a total of 260,000 barrels of crude oil into the environment. As of June 9, BP has used over 1 million gallons of Corexit oil dispersants to solubilize oil and help prevent the development of a surface oil slick. Oil dispersants are mixtures containing solvents and surfactants that can exhibit toxicity toward aquatic life and may enhance the toxicity of components of weathered crude oil. Detailed knowledge of the composition of both Corexit formulations and other dispersants applied in the Gulf will facilitate comprehensive monitoring programs for determining the occurrence, fate, and biological effects of the dispersant chemicals. The lack of information on the potential impacts of oil dispersants has caught industry, federal, and state officials off guard. Until compositions of Corexit 9500 and 9527 were released by the U.S. Environmental Protection Agency online, the only information available consisted of Material Safety Data Sheets (MSDS), patent documentation, and a National Research Council report on oil dispersants. Several trade and common names are used for the components of the Corexits. For example, Tween 80 and Tween 85 are oligomeric mixtures.

  5. Advancing the Chemistry of CuWO4 for Photoelectrochemical Water Oxidation.

    PubMed

    Lhermitte, Charles R; Bartlett, Bart M

    2016-06-21

    Photoelectrochemical (PEC) cells are an ongoing area of exploration that provide a means of converting solar energy into a storable chemical form (molecular bonds). In particular, using PEC cells to drive the water splitting reaction to obtain H2 could provide a clean and sustainable route to convert solar energy into chemical fuels. Since the discovery of catalytic water splitting on TiO2 photoelectrodes by Fujishima and Honda, significant efforts have been directed toward developing high efficiency metal oxides to use as photocatalysts for this reaction. Improving the efficiency of PEC cells requires developing chemically stable, and highly catalytic anodes for the oxygen-evolution reaction (OER). This water oxidation half reaction requires four protons and four electrons coupling in two bond making steps to form O2, which limits the rate. Our group has accelerated efforts in CuWO4 as a candidate for PEC OER chemistry. Its small band gap of 2.3 eV allows for using visible light to drive OER, and the reaction proceeds with a high degree of chemoselectivity, even in the presence of more kinetically accessible anions such as chloride, which is common to seawater. Furthermore, CuWO4 is a chemically robust material when subjected to the highly oxidizing conditions of PEC OER. The next steps for accelerating research using this (and other), ternary phase oxides, is to move beyond reporting the basic PEC measurements to understanding fundamental chemical reaction mechanisms operative during OER on semiconductor surfaces. In this Account, we outline the process for PEC OER on CuWO4 thin films with emphasis on the chemistry of this reaction, the reaction rate and selectivity (determined by controlled-potential coulometry and oxygen-detection experiments). We discuss key challenges with CuWO4 such as slow kinetics and the presence of an OER-mediating mid-gap state, probed by electrochemical impedance spectroscopy. We propose that this mid-gap state imparts the observed

  6. High resolution analytical electron microscopy reveals cell culture media induced changes to the chemistry of silver nanowires

    PubMed Central

    Chen, Shu; Theodorou, Ioannis G.; Goode, Angela E.; Gow, Andrew; Schwander, Stephan; Zhang, Junfeng (Jim); Chung, Kian Fan; Tetley, Teresa D.; Shaffer, Milo S.; Ryan, Mary P.; Porter, Alexandra E.

    2014-01-01

    There is a growing concern about the potential adverse effects on human health upon exposure to engineered silver nanomaterials (particles, wires and plates). However, the majority of studies testing the toxicity of silver nanomaterials have examined nominally ‘as-synthesized’ materials without considering the fate of the materials in biologically relevant fluids. Here, in-house silver nanowires (AgNWs) were prepared by a modified polyol process and were incubated in three cell culture media (DMEM, RPMI-1640 and DCCM-1) to examine the impact of AgNW-medium interactions on the physicochemical properties of the AgNWs. High-resolution analytical transmission electron microscopy revealed that Ag2S crystals form on the surface of AgNWs within 1 hour of incubation in DCCM-1. In contrast, the incubation of AgNWs in RPMI-1640 or DMEM did not lead to sulfidation. When the DCCM-1 cell culture medium was separated into its small molecule solutes and salts and protein components, the AgNWs were found to sulfidize in the fraction containing small molecule solutes and salts, but not in the fraction containing the protein component of the media. Further investigation showed the AgNWs did not readily sulfidize in the presence of isolated sulfur containing amino acids or proteins, such as cysteine or bovine serum albumin (BSA). The results demonstrate that the AgNWs can be transformed by the media before and during the incubation with cells and therefore the effects of cell culture media must be considered in the analysis of toxicity assays. Appropriate media and material controls must be in place to allow accurate predictions about the toxicity, and ultimately, the health risk of this commercially relevant class of nanomaterial. PMID:24160871

  7. Stratospheric chemistry

    SciTech Connect

    Brune, W.H. )

    1991-01-01

    Advances in stratospheric chemistry made by investigators in the United States from 1987 to 1990 are reviewed. Subject areas under consideration include photochemistry of the polar stratosphere, photochemistry of the global stratosphere, and assessments of inadvertent modification of the stratosphere by anthropogenic activity. Particular attention is given to early observations and theories, gas phase chemistry, Antarctic observations, Arctic observations, odd-oxygen, odd-hydrogen, odd-nitrogen, halogens, aerosols, modeling of stratospheric ozone, and reactive nitrogen effects.

  8. Recent advances in the development of dopamine D3 receptor antagonists: a medicinal chemistry perspective.

    PubMed

    Micheli, Fabrizio

    2011-07-04

    Dopamine (DA) D(3) receptor antagonism might play a significant role in different therapeutic areas. A high number of preclinical studies on DA D(3) receptor antagonists have shown efficacy in animal models of Parkinson's disease, schizophrenia and drug dependence. This Review covers the activities of medicinal chemists in this field over the last ten years towards the identification of truly selective compounds. Both primary and patent literature is reviewed here. Since the original discoveries, a clear trend towards the optimization of the developability properties of the new scaffold has clearly emerged with time, from both academic and industrial researchers. Examples of advanced leads from academia and industry are described. The latest potential therapeutic applications are reported too.

  9. Developments in the analytical chemistry of arsenic to support teaching and learning through research in environmental topics

    NASA Astrophysics Data System (ADS)

    Ampiah-Bonney, Richmond Jerry

    Two manifolds were designed to determine phosphate concentrations. The linear range for the 2-channel manifold was 0 to 30 mg L-1, and that for the 3-channel manifold was 0 to 400 mg L-1. Optimized conditions for the determination of arsenic with molybdenum-blue method were 0.5% w/v ascorbic acid, 0.4 M sulfuric acid in the molybdate solution and 80°C reaction temperature. A method for determination of arsenic using pervaporation flow injection hydride generation with visible spectrophotometry was developed. The method was sensitive for low arsenic concentrations (≤ 10 mug L-1), with sensitivity decreasing as arsenic concentration increased. There was no heating required, and the pervaporation membrane transferred only arsine. The analytical performance of two arsenic test kits was assessed. The Alpha Environmental kit cannot be recommended for arsenic measurement in water. The Hach kit was reliable for measuring arsenic concentrations greater than 70 mug L-1. A modified reaction tube was constructed that allowed NaBH4 solution to be delivered into the reaction mixture to replace zinc powder in the Hach kit, with no loss of gases. A more quantitative way of measuring arsenic using the Hach kit was developed by measuring the B-value of the color of jpeg images of test strips taken by a desktop scanner. Leersia oryzoides grown in soil amended with 110 mg kg-1arsenic extracted up to 305 mug g-1 and 272 mug g-1 arsenic into its shoots and roots respectively, giving a shoot:root quotient (SRQ) of 1.12 and phytoextraction coefficients (PEC) up to 1.3 in greenhouse experiments. Five supervised arsenic-related projects were reported. All except one of these reports fell short of the standards acceptable for a publishable manuscript. Factors such as high expectations, competitive entrance requirements and good motivation were responsible for the publishable report. For the remaining reports, problems with working in a team, relatively low expectations and lack of

  10. JPRS Report, Science & Technology, USSR: Chemistry

    DTIC Science & Technology

    2007-11-02

    This report contains foreign media information from the USSR concerning analytical chemistry, electrochemistry, environmental chemistry, inorganic compounds, organophosphorous compounds, petroleum coal processing and polymers.

  11. JPRS Report, Science & Technology, USSR: Chemistry

    DTIC Science & Technology

    2007-11-02

    This report contains foreign media information from the USSR concerning analytical chemistry, catalysis, electrochemistry, inorganic compounds, organometallic compounds, organophosphorous compounds, polymers and radiation chemistry.

  12. Understanding Business Analytics

    DTIC Science & Technology

    2015-01-05

    Business Analytics, Decision Analytics, Business Intelligence, Advanced Analytics, Data Science. . . to a certain degree, to label is to limit - if only... Business Analytics. 2004 2006 2008 2010 2012 2014 Figure 1: Google trending of daily searches for various analytic disciplines “The limits of my

  13. Development of Advanced In-Situ Techniques for Chemistry Monitoring and Corrosion Mitigation in SCWO Environments

    SciTech Connect

    Macdonald, D. D.; Lvov, S. N.

    2000-03-31

    This project is developing sensing technologies and corrosion monitoring techniques for use in super critical water oxidation (SCWO) systems to reduce the volume of mixed low-level nuclear waste by oxidizing organic components in a closed cycle system where CO2 and other gaseous oxides are produced, leaving the radioactive elements concentrated in ash. The technique uses water at supercritical temperatures under highly oxidized conditions by maintaining a high fugacity of molecular oxygen in the system, which causes high corrosion rates of even the most corrosive resistant reactor materials. This project significantly addresses the high corrosion shortcoming through development of (a) advanced electrodes and sensors for in situ potentiometric monitoring of pH in high subcritical and supercritical aqueous solutions, (b) an approach for evaluating the association constants for 1-1 aqueous electrolytes using a flow-through electrochemical thermocell; (c) an electrochemical noise sensor for the in situ measurement of corrosion rate in subcritical and supercritical aqueous systems; (d) a model for estimating the effect of pressure on reaction rates, including corrosion reactions, in high subcritical and supercritical aqueous systems. The project achieved all objectives, except for installing some of the sensors into a fully operating SCWO system.

  14. A Low-order Coupled Chemistry Meteorology Model for Testing Online and Offline Advanced Data Assimilation Schemes

    NASA Astrophysics Data System (ADS)

    Bocquet, M.; Haussaire, J. M.

    2015-12-01

    Bocquet and Sakov have recently introduced a low-order model based on the coupling of thechaotic Lorenz-95 model which simulates winds along a mid-latitude circle, with thetransport of a tracer species advected by this wind field. It has been used to testadvanced data assimilation methods with an online model that couples meteorology andtracer transport. In the present study, the tracer subsystem of the model is replacedwith a reduced photochemistry module meant to emulate reactive air pollution. Thiscoupled chemistry meteorology model, the L95-GRS model, mimics continental andtranscontinental transport and photochemistry of ozone, volatile organic compounds andnitrogen dioxides.The L95-GRS is specially useful in testing advanced data assimilation schemes, such as theiterative ensemble Kalman smoother (IEnKS) that combines the best of ensemble andvariational methods. The model provides useful insights prior to any implementation ofthe data assimilation method on larger models. For instance, online and offline dataassimilation strategies based on the ensemble Kalman filter or the IEnKS can easily beevaluated with it. It allows to document the impact of species concentration observationson the wind estimation. The model also illustrates a long standing issue in atmosphericchemistry forecasting: the impact of the wind chaotic dynamics and of the chemical speciesnon-chaotic but highly nonlinear dynamics on the selected data assimilation approach.

  15. Current Advances in L-DOPA and DOPA-Peptidomimetics: Chemistry, Applications and Biological Activity.

    PubMed

    Bizzarri, Bruno Mattia; Tortolini, Silvia; Rotelli, Luca; Botta, Giorgia; Saladino, Raffaele

    2015-01-01

    L-3,4-Dihydroxyphenylalanine [2-amino-3-(3,4-dihydroxyphenyl) propanoic acid (L-DOPA) is a natural constituent of animal and plant tissue derived from post-translational modification of the amino acid tyrosine. L-DOPA is modified during metabolism to catecholamine neurotransmitters, noradrenaline and adrenaline, which are characterized by different biological activities. L-DOPA has been the first drug of choice in the therapy of Parkinson's disease that is a progressive neurodegenerative disorder involving the loss of dopaminergic neurons of substantia nigra pars compacta. The social and economic impact of these diseases is very high due to the progressive aging of the population. This review focuses on the biological effect of LDOPA, as well as on the synthesis of L-DOPA derivatives and their application in central nervous system diseases. Among them, L-DOPA-containing peptides (L-DOPA-Pep) show important biological and pharmacological activities. For example, L-DOPA analogues of the alpha-factor interact with models of the G protein-coupled receptor, inhibit the oxidation of low-density lipoproteins, and are used for improving L-DOPA absorption in long-term treatment of Parkinson's disease and as skin moisturizer in cosmetic compositions. Moreover, L-DOPA residues in proteins provide reactive tools for the preparation of adhesives and coatings materials. Usually, L-DOPA-Pep is prepared by traditional liquid or solid state procedures starting from simple amino acids. Recently, selective side-chain modifications of pre-formed peptides have also been reported both for linear and branched peptides. Here, we describe the recent advances in the synthesis of L-DOPA and dopa-peptidomimetics and their biological and pharmacological activities, focusing the attention on new synthetic procedures and biological mechanism of actions.

  16. Advanced solids NMR studies of coal structure and chemistry. Progress report, March 1 - September 1, 1996

    SciTech Connect

    Zilm, K.W.

    1996-12-31

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utili- zation of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. Our goals are twofold. First, we are interested in developing new methods that will enable us to measure important structural parameters in whole coals not directly accessible by other techniques. In parallel with these efforts we will apply these NNM methods in a study of the chemical differences between gas-sourcing and oil-sourcing coals. The NMR methods work will specifically focus on determination of the number and types of methylene groups, determination of the number and types of methine groups, identification of carbons adjacent to nitrogen and sites with exchangeable protons, and methods to more finely characterize the distribution of hydrogen in coals. We will also develop NMR methods for probing coal macropore structure using hyperpolarized {sup 29}Xe as a probe, and study the molecular dynamics of what appear to be mobile, CH{sub 2} rich, long chain hydrocarbons. The motivation for investigating these specific structural features of coals arises from their relevance to the chemical reactivity of coals, and their suitability for possible correlations with the oil sourcing potential of some types of coals. The coals to be studied and contrasted include oil-prone coals from Australia and Indonesia, those comprising the Argonne Premium Coal Sample bank, and other relevant samples.

  17. Techniques for analysis and purification in high-throughput chemistry.

    PubMed

    Hughes, I; Hunter, D

    2001-06-01

    The success of combinatorial chemistry, and the increased emphasis on single well-characterised compounds of high purity, has had a significant impact on analytical and purification technologies. The requirement for ever-increasing throughput has led to the automation and parallelisation of these techniques. Advances have also been made in developing faster methods to augment throughput further.

  18. African American Advanced Placement chemistry students and their developing study habits: A phenomenologically-based interpretive study

    NASA Astrophysics Data System (ADS)

    Rasmussen, Natalie D.

    The academic achievement gap between African American and White students has gained much attention in recent years. Much has been written about the causes of and reasons for this problem ranging from the vestigial effects of slavery to poor parenting. Much less has been written or understood about its solution. While it is impossible for educators to change the pasts of their African American students, it is possible to effect change for the few minutes in which they are in direct contact with them each day. If African American science students are taught effective study skills and habits, then perhaps they might have the tools to close the achievement gap themselves. The participants in this phenomenologically based interpretive study were five African American Advanced Placement Chemistry students from an inner-city high school. Three in-depth interviews were conducted with each of the participants during the beginning, middle and end of a semester. The purpose of the interviews was to locate the students in terms of their thought processes, experiences and perceived barriers concerning the nature and practice of effective study and retention of chemistry content. The interviews were recorded and transcribed. The texts were then analyzed for common themes. Five common themes emerged from the interviews. These were: (1) Homework vs. Study: a distinction between homework---which students knew how to approach; and study---which they did not. (2) Student Effort: their changing perception of adequate and effective study practices while in a rigorous course. (3) Teacher Rigor: they perceived high expectations and challenging work as a sign of respect from their teachers. (4) Parental Involvement: students' admission that they desired more input from parents regarding their academic performance. (5) Racial Considerations: their need to disprove negative stereotypes and their personal observations regarding racial differences in studying. A discussion of the themes and

  19. Critical Appraisal of Acuros XB and Anisotropic Analytic Algorithm Dose Calculation in Advanced Non-Small-Cell Lung Cancer Treatments

    SciTech Connect

    Fogliata, Antonella; Nicolini, Giorgia; Clivio, Alessandro; Vanetti, Eugenio; Cozzi, Luca

    2012-08-01

    Purpose: To assess the clinical impact of the Acuros XB algorithm (implemented in the Varian Eclipse treatment-planning system) in non-small-cell lung cancer (NSCLC) cases. Methods and Materials: A CT dataset of 10 patients presenting with advanced NSCLC was selected and contoured for planning target volume, lungs, heart, and spinal cord. Plans were created for 6-MV and 15-MV beams using three-dimensional conformal therapy, intensity-modulated therapy, and volumetric modulated arc therapy with RapidArc. Calculations were performed with Acuros XB and the Anisotropic Analytical Algorithm. To distinguish between differences coming from the different heterogeneity management and those coming from the algorithm and its implementation, all the plans were recalculated assigning Hounsfield Unit (HU) = 0 (Water) to the CT dataset. Results: Differences in dose distributions between the two algorithms calculated in Water were <0.5%. This suggests that the differences in the real CT dataset can be ascribed mainly to the different heterogeneity management, which is proven to be more accurate in the Acuros XB calculations. The planning target dose difference was stratified between the target in soft tissue, where the mean dose was found to be lower for Acuros XB, with a range of 0.4% {+-} 0.6% (intensity-modulated therapy, 6 MV) to 1.7% {+-} 0.2% (three-dimensional conformal therapy, 6 MV), and the target in lung tissue, where the mean dose was higher for 6 MV (from 0.2% {+-} 0.2% to 1.2% {+-} 0.5%) and lower for 15 MV (from 0.5% {+-} 0.5% to 2.0% {+-} 0.9%). Mean doses to organs at risk presented differences up to 3% of the mean structure dose in the worst case. No particular or systematic differences were found related to the various modalities. Calculation time ratios between calculation time for Acuros XB and the Anisotropic Analytical Algorithm were 7 for three-dimensional conformal therapy, 5 for intensity-modulated therapy, and 0.2 for volumetric modulated arc therapy

  20. Introducing process analytical technology (PAT) in filamentous cultivation process development: comparison of advanced online sensors for biomass measurement.

    PubMed

    Rønnest, Nanna Petersen; Stocks, Stuart M; Eliasson Lantz, Anna; Gernaey, Krist V

    2011-10-01

    The recent process analytical technology (PAT) initiative has put an increased focus on online sensors to generate process-relevant information in real time. Specifically for fermentation, however, introduction of online sensors is often far from straightforward, and online measurement of biomass is one of the best examples. The purpose of this study was therefore to compare the performance of various online biomass sensors, and secondly to demonstrate their use in early development of a filamentous cultivation process. Eight Streptomyces coelicolor fed-batch cultivations were run as part of process development in which the pH, the feeding strategy, and the medium composition were varied. The cultivations were monitored in situ using multi-wavelength fluorescence (MWF) spectroscopy, scanning dielectric (DE) spectroscopy, and turbidity measurements. In addition, we logged all of the classical cultivation data, such as the carbon dioxide evolution rate (CER) and the concentration of dissolved oxygen. Prediction models for the biomass concentrations were estimated on the basis of the individual sensors and on combinations of the sensors. The results showed that the more advanced sensors based on MWF and scanning DE spectroscopy did not offer any advantages over the simpler sensors based on dual frequency DE spectroscopy, turbidity, and CER measurements for prediction of biomass concentration. By combining CER, DE spectroscopy, and turbidity measurements, the prediction error was reduced to 1.5 g/l, corresponding to 6% of the covered biomass range. Moreover, by using multiple sensors it was possible to check the quality of the individual predictions and switch between the sensors in real time.

  1. Efficient Biostimulation of Native and Introduced Quorum-Quenching Rhodococcus erythropolis Populations Is Revealed by a Combination of Analytical Chemistry, Microbiology, and Pyrosequencing

    PubMed Central

    Cirou, Amélie; Mondy, Samuel; An, Shu; Charrier, Amélie; Sarrazin, Amélie; Thoison, Odile; DuBow, Michael

    2012-01-01

    Degradation of the quorum-sensing (QS) signals known as N-acylhomoserine lactones (AHL) by soil bacteria may be useful as a beneficial trait for protecting crops, such as potato plants, against the worldwide pathogen Pectobacterium. In this work, analytical chemistry and microbial and molecular approaches were combined to explore and compare biostimulation of native and introduced AHL-degrading Rhodococcus erythropolis populations in the rhizosphere of potato plants cultivated in farm greenhouses under hydroponic conditions. We first identified gamma-heptalactone (GHL) as a novel biostimulating agent that efficiently promotes plant root colonization by AHL-degrading R. erythropolis population. We also characterized an AHL-degrading biocontrol R. erythropolis isolate, R138, which was introduced in the potato rhizosphere. Moreover, root colonization by AHL-degrading bacteria receiving different combinations of GHL and R138 treatments was compared by using a cultivation-based approach (percentage of AHL-degrading bacteria), pyrosequencing of PCR-amplified rrs loci (total bacterial community), and quantitative PCR (qPCR) of the qsdA gene, which encodes an AHL lactonase in R. erythropolis. Higher densities of the AHL-degrading R. erythropolis population in the rhizosphere were observed when GHL treatment was associated with biocontrol strain R138. Under this condition, the introduced R. erythropolis population displaced the native R. erythropolis population. Finally, chemical analyses revealed that GHL, gamma-caprolactone (GCL), and their by-products, gamma-hydroxyheptanoic acid and gamma-hydroxycaproic acid, rapidly disappeared from the rhizosphere and did not accumulate in plant tissues. This integrative study highlights biostimulation as a potential innovative approach for improving root colonization by beneficial bacteria. PMID:22081576

  2. Genetic algorithms and genetic programming for multiscale modeling: Applications in materials science and chemistry and advances in scalability

    NASA Astrophysics Data System (ADS)

    Sastry, Kumara Narasimha

    2007-03-01

    Effective and efficient rnultiscale modeling is essential to advance both the science and synthesis in a, wide array of fields such as physics, chemistry, materials science; biology, biotechnology and pharmacology. This study investigates the efficacy and potential of rising genetic algorithms for rnultiscale materials modeling and addresses some of the challenges involved in designing competent algorithms that solve hard problems quickly, reliably and accurately. In particular, this thesis demonstrates the use of genetic algorithms (GAs) and genetic programming (GP) in multiscale modeling with the help of two non-trivial case studies in materials science and chemistry. The first case study explores the utility of genetic programming (GP) in multi-timescaling alloy kinetics simulations. In essence, GP is used to bridge molecular dynamics and kinetic Monte Carlo methods to span orders-of-magnitude in simulation time. Specifically, GP is used to regress symbolically an inline barrier function from a limited set of molecular dynamics simulations to enable kinetic Monte Carlo that simulate seconds of real time. Results on a non-trivial example of vacancy-assisted migration on a surface of a face-centered cubic (fcc) Copper-Cobalt (CuxCo 1-x) alloy show that GP predicts all barriers with 0.1% error from calculations for less than 3% of active configurations, independent of type of potentials used to obtain the learning set of barriers via molecular dynamics. The resulting method enables 2--9 orders-of-magnitude increase in real-time dynamics simulations taking 4--7 orders-of-magnitude less CPU time. The second case study presents the application of multiobjective genetic algorithms (MOGAs) in multiscaling quantum chemistry simulations. Specifically, MOGAs are used to bridge high-level quantum chemistry and semiempirical methods to provide accurate representation of complex molecular excited-state and ground-state behavior. Results on ethylene and benzene---two common

  3. Development and Implementation of a Series of Laboratory Field Trips for Advanced High School Students to Connect Chemistry to Sustainability

    ERIC Educational Resources Information Center

    Aubrecht, Katherine B.; Padwa, Linda; Shen, Xiaoqi; Bazargan, Gloria

    2015-01-01

    We describe the content and organization of a series of day-long field trips to a university for high school students that connect chemistry content to issues of sustainability. The seven laboratory activities are in the areas of environmental degradation, energy production, and green chemistry. The laboratory procedures have been modified from…

  4. When Is a Molecule Three Dimensional? A Task-Specific Role for Imagistic Reasoning in Advanced Chemistry

    ERIC Educational Resources Information Center

    Stieff, Mike

    2011-01-01

    Imagistic reasoning appears to be a critical strategy for learning and problem solving in the sciences, particularly chemistry; however, little is known about how students use imagistic reasoning on genuine assessment tasks in chemistry. The present study employed a think-aloud protocol to explore when and how students use imagistic reasoning for…

  5. Leveraging data analytics, patterning simulations and metrology models to enhance CD metrology accuracy for advanced IC nodes

    NASA Astrophysics Data System (ADS)

    Rana, Narender; Zhang, Yunlin; Kagalwala, Taher; Hu, Lin; Bailey, Todd

    2014-04-01

    Integrated Circuit (IC) technology is changing in multiple ways: 193i to EUV exposure, planar to non-planar device architecture, from single exposure lithography to multiple exposure and DSA patterning etc. Critical dimension (CD) control requirement is becoming stringent and more exhaustive: CD and process window are shrinking., three sigma CD control of < 2 nm is required in complex geometries, and metrology uncertainty of < 0.2 nm is required to achieve the target CD control for advanced IC nodes (e.g. 14 nm, 10 nm and 7 nm nodes). There are fundamental capability and accuracy limits in all the metrology techniques that are detrimental to the success of advanced IC nodes. Reference or physical CD metrology is provided by CD-AFM, and TEM while workhorse metrology is provided by CD-SEM, Scatterometry, Model Based Infrared Reflectrometry (MBIR). Precision alone is not sufficient moving forward. No single technique is sufficient to ensure the required accuracy of patterning. The accuracy of CD-AFM is ~1 nm and precision in TEM is poor due to limited statistics. CD-SEM, scatterometry and MBIR need to be calibrated by reference measurements for ensuring the accuracy of patterned CDs and patterning models. There is a dire need of measurement with < 0.5 nm accuracy and the industry currently does not have that capability with inline measurments. Being aware of the capability gaps for various metrology techniques, we have employed data processing techniques and predictive data analytics, along with patterning simulation and metrology models, and data integration techniques to selected applications demonstrating the potential solution and practicality of such an approach to enhance CD metrology accuracy. Data from multiple metrology techniques has been analyzed in multiple ways to extract information with associated uncertainties and integrated to extract the useful and more accurate CD and profile information of the structures. This paper presents the optimization of

  6. EPA Green Chemistry Advances

    EPA Science Inventory

    As an invited speaker, Dr. Leazer will deliver a plenary lecture and participate in a panel discussion at the 2013 AIChE National Meeting in San Francisco, CA. AIChE has embraced sustainability and is looking for guidance and leadership in building their sustainability program. ...

  7. The Role of Dafachronic Acid Signaling in Development and Longevity in Caenorhabditis elegans: Digging Deeper Using Cutting-Edge Analytical Chemistry

    PubMed Central

    Aguilaniu, Hugo; Fabrizio, Paola; Witting, Michael

    2016-01-01

    Steroid hormones regulate physiological processes in species ranging from plants to humans. A wide range of steroid hormones exist, and their contributions to processes, such as growth, reproduction, development, and aging, is almost always complex. Understanding the biosynthetic pathways that generate steroid hormones and the signaling pathways that mediate their effects is thus of fundamental importance. In this work, we review recent advances in (i) the biological role of steroid hormones in the roundworm Caenorhabditis elegans and (ii) the development of novel methods to facilitate the detection and identification of these molecules. Our current understanding of steroid signaling in this simple organism serves to illustrate the challenges we face moving forward. First, it seems clear that we have not yet identified all of the enzymes responsible for steroid biosynthesis and/or degradation. Second, perturbation of steroid signaling affects a wide range of phenotypes, and subtly different steroid molecules can have distinct effects. Finally, steroid hormone levels are critically important, and minute variations in quantity can profoundly impact a phenotype. Thus, it is imperative that we develop innovative analytical tools and combine them with cutting-edge approaches including comprehensive and highly selective liquid chromatography coupled to mass spectrometry based on new methods such as supercritical fluid chromatography coupled to mass spectrometry (SFC-MS) if we are to obtain a better understanding of the biological functions of steroid signaling. PMID:26903948

  8. The Role of Dafachronic Acid Signaling in Development and Longevity in Caenorhabditis elegans: Digging Deeper Using Cutting-Edge Analytical Chemistry.

    PubMed

    Aguilaniu, Hugo; Fabrizio, Paola; Witting, Michael

    2016-01-01

    Steroid hormones regulate physiological processes in species ranging from plants to humans. A wide range of steroid hormones exist, and their contributions to processes, such as growth, reproduction, development, and aging, is almost always complex. Understanding the biosynthetic pathways that generate steroid hormones and the signaling pathways that mediate their effects is thus of fundamental importance. In this work, we review recent advances in (i) the biological role of steroid hormones in the roundworm Caenorhabditis elegans and (ii) the development of novel methods to facilitate the detection and identification of these molecules. Our current understanding of steroid signaling in this simple organism serves to illustrate the challenges we face moving forward. First, it seems clear that we have not yet identified all of the enzymes responsible for steroid biosynthesis and/or degradation. Second, perturbation of steroid signaling affects a wide range of phenotypes, and subtly different steroid molecules can have distinct effects. Finally, steroid hormone levels are critically important, and minute variations in quantity can profoundly impact a phenotype. Thus, it is imperative that we develop innovative analytical tools and combine them with cutting-edge approaches including comprehensive and highly selective liquid chromatography coupled to mass spectrometry based on new methods such as supercritical fluid chromatography coupled to mass spectrometry (SFC-MS) if we are to obtain a better understanding of the biological functions of steroid signaling.

  9. Synthesis of a Partially Protected Azidodeoxy Sugar. A Project Suitable for the Advanced Undergraduate Organic Chemistry Laboratory

    NASA Astrophysics Data System (ADS)

    Norris, Peter; Freeze, Scott; Gabriel, Christopher J.

    2001-01-01

    The synthetic chemistry of carbohydrates provides a wealth of possible experiments for the undergraduate organic chemistry laboratory. However, few appropriate examples have been developed to date. With this simple two-step synthesis of a partially protected azidodeoxy sugar, we demonstrate several important concepts introduced in undergraduate chemistry (alcohol activation, steric hindrance, nucleophilic substitution) while offering products that are readily amenable to analysis by high field NMR. Students are exposed to techniques such as monitoring reactions by TLC, workup of reaction mixtures, and isolation by flash chromatography. Suitable methods for analysis of products include NMR, IR, MS, and polarimetry.

  10. Importance of Genetic Diversity Assessment in Crop Plants and Its Recent Advances: An Overview of Its Analytical Perspectives

    PubMed Central

    Govindaraj, M.; Vetriventhan, M.; Srinivasan, M.

    2015-01-01

    The importance of plant genetic diversity (PGD) is now being recognized as a specific area since exploding population with urbanization and decreasing cultivable lands are the critical factors contributing to food insecurity in developing world. Agricultural scientists realized that PGD can be captured and stored in the form of plant genetic resources (PGR) such as gene bank, DNA library, and so forth, in the biorepository which preserve genetic material for long period. However, conserved PGR must be utilized for crop improvement in order to meet future global challenges in relation to food and nutritional security. This paper comprehensively reviews four important areas; (i) the significance of plant genetic diversity (PGD) and PGR especially on agriculturally important crops (mostly field crops); (ii) risk associated with narrowing the genetic base of current commercial cultivars and climate change; (iii) analysis of existing PGD analytical methods in pregenomic and genomic era; and (iv) modern tools available for PGD analysis in postgenomic era. This discussion benefits the plant scientist community in order to use the new methods and technology for better and rapid assessment, for utilization of germplasm from gene banks to their applied breeding programs. With the advent of new biotechnological techniques, this process of genetic manipulation is now being accelerated and carried out with more precision (neglecting environmental effects) and fast-track manner than the classical breeding techniques. It is also to note that gene banks look into several issues in order to improve levels of germplasm distribution and its utilization, duplication of plant identity, and access to database, for prebreeding activities. Since plant breeding research and cultivar development are integral components of improving food production, therefore, availability of and access to diverse genetic sources will ensure that the global food production network becomes more sustainable

  11. Importance of genetic diversity assessment in crop plants and its recent advances: an overview of its analytical perspectives.

    PubMed

    Govindaraj, M; Vetriventhan, M; Srinivasan, M

    2015-01-01

    The importance of plant genetic diversity (PGD) is now being recognized as a specific area since exploding population with urbanization and decreasing cultivable lands are the critical factors contributing to food insecurity in developing world. Agricultural scientists realized that PGD can be captured and stored in the form of plant genetic resources (PGR) such as gene bank, DNA library, and so forth, in the biorepository which preserve genetic material for long period. However, conserved PGR must be utilized for crop improvement in order to meet future global challenges in relation to food and nutritional security. This paper comprehensively reviews four important areas; (i) the significance of plant genetic diversity (PGD) and PGR especially on agriculturally important crops (mostly field crops); (ii) risk associated with narrowing the genetic base of current commercial cultivars and climate change; (iii) analysis of existing PGD analytical methods in pregenomic and genomic era; and (iv) modern tools available for PGD analysis in postgenomic era. This discussion benefits the plant scientist community in order to use the new methods and technology for better and rapid assessment, for utilization of germplasm from gene banks to their applied breeding programs. With the advent of new biotechnological techniques, this process of genetic manipulation is now being accelerated and carried out with more precision (neglecting environmental effects) and fast-track manner than the classical breeding techniques. It is also to note that gene banks look into several issues in order to improve levels of germplasm distribution and its utilization, duplication of plant identity, and access to database, for prebreeding activities. Since plant breeding research and cultivar development are integral components of improving food production, therefore, availability of and access to diverse genetic sources will ensure that the global food production network becomes more sustainable

  12. Visual/verbal-analytic reasoning bias as a function of self-reported autistic-like traits: a study of typically developing individuals solving Raven's Advanced Progressive Matrices.

    PubMed

    Fugard, Andrew J B; Stewart, Mary E; Stenning, Keith

    2011-05-01

    People with autism spectrum condition (ASC) perform well on Raven's matrices, a test which loads highly on the general factor in intelligence. However, the mechanisms supporting enhanced performance on the test are poorly understood. Evidence is accumulating that milder variants of the ASC phenotype are present in typically developing individuals, and that those who are further along the autistic-like trait spectrum show similar patterns of abilities and impairments as people with clinically diagnosed ASC. We investigated whether self-reported autistic-like traits in a university student sample, assessed using the Autism-Spectrum Quotient (AQ; Baron-Cohen, Wheelwright, Skinner, et al., 2001), predict performance on Raven's Advanced Progressive Matrices. We found that reporting poorer social skills but better attention switching predicted a higher Advanced matrices score overall. DeShon, Chan, and Weissbein (1995) classified Advanced matrices items as requiring a visuospatial, or a verbal-analytic strategy. We hypothesised that higher AQ scores would predict better performance on visuospatial items than on verbal-analytic items. This prediction was confirmed. These results are consistent with the continuum view and can be explained by the enhanced perceptual functioning theory of performance peaks in ASC. The results also confirm a new prediction about Raven's Advanced Progressive Matrices performance in people with ASC.

  13. Analytical mass spectrometry

    SciTech Connect

    Not Available

    1990-01-01

    This 43rd Annual Summer Symposium on Analytical Chemistry was held July 24--27, 1990 at Oak Ridge, TN and contained sessions on the following topics: Fundamentals of Analytical Mass Spectrometry (MS), MS in the National Laboratories, Lasers and Fourier Transform Methods, Future of MS, New Ionization and LC/MS Methods, and an extra session. (WET)

  14. Analytical mass spectrometry. Abstracts

    SciTech Connect

    Not Available

    1990-12-31

    This 43rd Annual Summer Symposium on Analytical Chemistry was held July 24--27, 1990 at Oak Ridge, TN and contained sessions on the following topics: Fundamentals of Analytical Mass Spectrometry (MS), MS in the National Laboratories, Lasers and Fourier Transform Methods, Future of MS, New Ionization and LC/MS Methods, and an extra session. (WET)

  15. Combined experimental and analytical study using cruciform specimen for testing advanced aeropropulsion materials under in-plane biaxial loading

    NASA Astrophysics Data System (ADS)

    Abdul-Aziz, Ali; Krause, David

    2006-03-01

    A new in-house test capability has been developed at the NASA Glenn Research Center to conduct highly critical tests in support of major and significant components of the Stirling Radioisotope Generator (SRG). It is to aid the development of analytical life prediction methodology and to experimentally assist in verifying the flight-design component's life. Components within the SRG such as the heater head pressure vessel endure a very high temperature environment for a long period of time. Such conditions impose life-limiting failure by means of material creep, a slow gradual increase in strain which leads to an eventual failure of the pressure vessel. To properly evaluate the performance and assist in the design of this component, testing under multiaxial loading setting is essential, since the heater head is subjected to a biaxial state of stress. Thus, the current work undertakes conducting analytical studies under equibiaxial and non-equi-biaxial loadings situations at various temperatures emulating creep environment. These analytical activities will utilize the finite element method to analyze cruciform type specimens both, under linear elastic and creep conditions. And further to calibrate the in-plane biaxial-test system. The specimen finite element model is generated with MSC/Patran [1] and analytical calculations are conducted with MARC and ANSYS finite element codes [2-3]. Complementing these calculations will undertake conducting experimental tests. However, only results pertaining to the analytical studies are reported and their impact on estimating the life of the component is evaluated.

  16. Forster Resonance Energy Transfer and Conformational Stability of Proteins: An Advanced Biophysical Module for Physical Chemistry Students

    ERIC Educational Resources Information Center

    Sanchez, Katheryn M.; Schlamadinger, Diana E.; Gable, Jonathan E.; Kim, Judy E.

    2008-01-01

    Protein folding is an exploding area of research in biophysics and physical chemistry. Here, we describe the integration of several techniques, including absorption spectroscopy, fluorescence spectroscopy, and Forster resonance energy transfer (FRET) measurements, to probe important topics in protein folding. Cytochrome c is used as a model…

  17. Teaching Thermodynamics and Kinetics to Advanced General Chemistry Students and to Upper-Level Undergraduate Students Using PV Diagrams

    ERIC Educational Resources Information Center

    Iyengar, Srinivasan S.; deSouza, Romualdo T.

    2014-01-01

    We describe how complex concepts in macroscopic chemistry, namely, thermodynamics and kinetics, can be taught at considerable depth both at the first-year undergraduate as well as upper levels. We begin with a careful treatment of PV diagrams, and by pictorially integrating the appropriate area in a PV diagram, we introduce work. This starting…

  18. The Use of Textbooks for Advanced-Level GCE Courses in Physics, Chemistry and Biology by Sixth-Form Students.

    ERIC Educational Resources Information Center

    Newton, D. P.

    1984-01-01

    A survey of sixth-form students to determine the level of A-level textbook use in physics, chemistry, and biology in English schools found that texts are used primarily after the lesson, at the student's discretion, and with great variations between students. Biology texts were used most, and physics texts used least. (MBR)

  19. Synthesis and Characterization of Europium(III) and Terbium(III) Complexes: An Advanced Undergraduate Inorganic Chemistry Experiment

    ERIC Educational Resources Information Center

    Swavey, Shawn

    2010-01-01

    Undergraduate laboratories rarely involve lanthanide coordination chemistry. This is unfortunate in light of the ease with which many of these complexes are made and the interesting and instructive photophysical properties they entail. The forbidden nature of the 4f transitions associated with the lanthanides is overcome by incorporation of…

  20. Quantitative Analysis of Heavy Metals in Children's Toys and Jewelry: A Multi-Instrument, Multitechnique Exercise in Analytical Chemistry and Public Health

    ERIC Educational Resources Information Center

    Finch, Lauren E.; Hillyer, Margot M.; Leopold, Michael C.

    2015-01-01

    For most chemistry curricula, laboratory-based activities in quantitative and instrumental analysis continue to be an important aspect of student development/training, one that can be more effective if conceptual understanding is delivered through an inquiry-based process relating the material to relevant issues of public interest and student…

  1. Estimating the Analytical and Surface Enhancement Factors in Surface-Enhanced Raman Scattering (SERS): A Novel Physical Chemistry and Nanotechnology Laboratory Experiment

    ERIC Educational Resources Information Center

    Pavel, Ioana E.; Alnajjar, Khadijeh S.; Monahan, Jennifer L.; Stahler, Adam; Hunter, Nora E.; Weaver, Kent M.; Baker, Joshua D.; Meyerhoefer, Allie J.; Dolson, David A.

    2012-01-01

    A novel laboratory experiment was successfully implemented for undergraduate and graduate students in physical chemistry and nanotechnology. The main goal of the experiment was to rigorously determine the surface-enhanced Raman scattering (SERS)-based sensing capabilities of colloidal silver nanoparticles (AgNPs). These were quantified by…

  2. Toward a New U.S. Chemicals Policy: Rebuilding the Foundation to Advance New Science, Green Chemistry, and Environmental Health

    PubMed Central

    Wilson, Michael P.; Schwarzman, Megan R.

    2009-01-01

    Objective We describe fundamental weaknesses in U.S. chemicals policy, present principles of chemicals policy reform, and articulate interdisciplinary research questions that should be addressed. With global chemical production projected to double over the next 24 years, federal policies that shape the priorities of the U.S. chemical enterprise will be a cornerstone of sustainability. To date, these policies have largely failed to adequately protect public health or the environment or motivate investment in or scientific exploration of cleaner chemical technologies, known collectively as green chemistry. On this trajectory, the United States will face growing health, environmental, and economic problems related to chemical exposures and pollution. Conclusions Existing policies have produced a U.S. chemicals market in which the safety of chemicals for human health and the environment is undervalued relative to chemical function, price, and performance. This market barrier to green chemistry is primarily a consequence of weaknesses in the Toxic Substances Control Act. These weaknesses have produced a chemical data gap, because producers are not required to investigate and disclose sufficient information on chemicals’ hazard traits to government, businesses that use chemicals, or the public; a safety gap, because government lacks the legal tools it needs to efficiently identify, prioritize, and take action to mitigate the potential health and environmental effects of hazardous chemicals; and a technology gap, because industry and government have invested only marginally in green chemistry research, development, and education. Policy reforms that close the three gaps—creating transparency and accountability in the market—are crucial for improving public and environmental health and reducing the barriers to green chemistry. The European Union’s REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) regulation has opened an opportunity for

  3. UCSD Geothermal Chemical Modeling Project: DOE Advanced Brine Chemistry Program. [University of California at San Diego (UCSD)

    SciTech Connect

    Moeller, N.; Weare, J.H.

    1992-04-01

    DOE funding to the UCSD Chemical Modeling Group supports research to provide computer models which will reliably characterize the equilibrium chemistry of geothermal brines (solution, solid and gas phases) under variable thermodynamic conditions. With this technology, it will be possible to rapidly and inexpensively predict the chemical behavior of geothermal brines during various resource recovery stages; exploration, production, plant energy extraction and rejection as well as in ancillary programs such as mineral recovery. Our modeling technology is based on recent progress in the physical chemistry of concentrated aqueous solutions. The behavior of these fluids has not been predicted from first principle theories. However, because of the importance of concentrated brines to many industrial and natural processes, there have been numerous efforts to develop accurate phenomenological expressions for predicting the chemical behavior of these brines. One of the most successful of these efforts is that of Pitzer and coworkers. Incorporating the semiempirical equations of Pitzer, we have shown at UCSD that we can create highly accurate models of brine-solid-gas chemistry.

  4. Dissolved Silver in Marine Waters: Reviewing Three Decades of Advances in Analytical Techniques and Understanding its Biogeochemical Cycling

    NASA Astrophysics Data System (ADS)

    Ndungu, K.; Flegal, A. R., Jr.

    2015-12-01

    Although billions of dollars have been spent over the past half-century to reduce contamination of U.S. waters, quantifying parts-per-billion reductions in surface water concentration since has been relatively unsuccessful. The reasons for the failure in identifying the benefits of these remediative efforts include: (i) historic (pre-1980) problems in accurately sampling and analyzing trace element concentrations at parts-per-billion level, so that temporal reductions in trace metal contamination reflected improved sampling and analytical accuracy rather than real decreases in those concentrations; (ii) limited seasonal and long term research. Silver in its ionic form is more toxic to aquatic organisms than any other metal except Hg. Because Ag is not common naturally in the environment, its elevated presence in water, sediment or biological tissues is usually indicative of anthropogenic influences. However, there is very little published data on Ag levels in both water and sediment. The published studies include Ag levels in a few U.S. estuarine waters, including detailed and time series studies for the San Francisco Estuary system by the WIGS lab at UC Santa Cruz. In the open Ocean, Ag measurements are limited to a few studies in the North and South Pacific, The North and South Atlantic. However, as Gallon and Flegal recently noted, there is no available data on Ag concentrations from the Indian Ocean! Most of the dissolved Ag data from the Atlantic was made in WIGS lab at UC Santa Cruz Analytical determination of Ag in seawater has come a long way since Murozumi reported the first dissolved Ag measurements from the N. Pacific in 1981 using isotope dilution MS after solvent extraction. In this presentation I will review analytical developments for Ag determination in the last three decades. I will also highlight the missing data gaps and present new tentative data on dissolved Ag concentration and cycling in polar regions including the Antarctic (Amundsen Sea

  5. Bioorganic and bioinorganic chemistry.

    PubMed

    Constable, Edwin C; Housecroft, Catherine E; Creus, Marc; Gademann, Karl; Giese, Bernd; Ward, Thomas R; Woggon, Wolf D; Chougnet, Antoinette

    2010-01-01

    The interdisciplinary projects in bioinorganic and bioorganic chemistry of the Department of Chemistry, University of Basel led to the preparation of new systems that mimic biologically important processes and to the discovery of compounds from natural sources which are very promising with respect to medical applications. The advances in these areas are reported here.

  6. Chemistry in Microfluidic Channels

    ERIC Educational Resources Information Center

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.

    2011-01-01

    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  7. Polybrominated Diphenyl Ethers in Dryer Lint: An Advanced Analysis Laboratory

    ERIC Educational Resources Information Center

    Thompson, Robert Q.

    2008-01-01

    An advanced analytical chemistry laboratory experiment is described that involves environmental analysis and gas chromatography-mass spectrometry. Students analyze lint from clothes dryers for traces of flame retardant chemicals, polybrominated diphenylethers (PBDEs), compounds receiving much attention recently. In a typical experiment, ng/g…

  8. INEEL Advanced Radiotherapy Research Program Annual Report for 2002

    SciTech Connect

    J. R. Venhuizen

    2003-05-01

    This report summarizes the activities and major accomplishments for the Idaho National Engineering and Environmental Laboratory (INEEL) Advanced Radiotherapy Research Program for calendar year 2002. Topics covered include computational dosimetry and treatment planning software development, medical neutron source development and characterization, and boron analytical chemistry.

  9. INEEL Advanced Radiotherapy Research Program Annual Report 2002

    SciTech Connect

    Venhuizen, J.R.

    2003-05-23

    This report summarizes the activities and major accomplishments for the Idaho National Engineering and Environmental Laboratory (INEEL) Advanced Radiotherapy Research Program for calendar year 2002. Topics covered include computational dosimetry and treatment planning software development, medical neutron source development and characterization, and boron analytical chemistry.

  10. Frontiers in Chemistry.

    ERIC Educational Resources Information Center

    Joyce, Robert M., Ed.

    1980-01-01

    This article describes recent progress in chemical synthesis which depends on comparable advances in other areas of chemistry. Analysis and theories of chemical structure and reactions are determinants in progress in chemical synthesis and are described also. (Author/SA)

  11. Förster Resonance Energy Transfer and Conformational Stability of Proteins: An Advanced Biophysical Module for Physical Chemistry Students.

    PubMed

    Sanchez, Katheryn M; Schlamadinger, Diana E; Gable, Jonathan E; Kim, Judy E

    2008-09-01

    Protein folding is an exploding area of research in biophysics and physical chemistry. Here, we describe the integration of several techniques, including absorption spectroscopy, fluorescence spectroscopy, and Förster resonance energy transfer (FRET) measurements, to probe important topics in protein folding. Cytochrome c is used as a model protein; comparison of conformational stabilities ( ΔGH2O∘) measured via two chemical denaturants, urea and guanidinium hydrochloride, illustrate important concepts in protein folding and intermolecular interactions. In addition, the determination of intraprotein distances based upon the FRET pair Trp-59 and the heme group for unfolded states of cytochrome c highlights the evolution of the protein structure under unfolding conditions. Analysis and discussion of these results provide opportunities to gain in-depth understanding of models for protein folding while enhancing students' skills with optical techniques. Collectively, the combination of optical spectroscopy, rigorous quantitative analysis, and a focus on biophysics illustrates the significance of fundamental research at the growing intersection of chemistry, biology, and physics.

  12. Förster Resonance Energy Transfer and Conformational Stability of Proteins: An Advanced Biophysical Module for Physical Chemistry Students

    PubMed Central

    Sanchez, Katheryn M.; Schlamadinger, Diana E.; Gable, Jonathan E.; Kim, Judy E.

    2009-01-01

    Protein folding is an exploding area of research in biophysics and physical chemistry. Here, we describe the integration of several techniques, including absorption spectroscopy, fluorescence spectroscopy, and Förster resonance energy transfer (FRET) measurements, to probe important topics in protein folding. Cytochrome c is used as a model protein; comparison of conformational stabilities ( ΔGH2O∘) measured via two chemical denaturants, urea and guanidinium hydrochloride, illustrate important concepts in protein folding and intermolecular interactions. In addition, the determination of intraprotein distances based upon the FRET pair Trp-59 and the heme group for unfolded states of cytochrome c highlights the evolution of the protein structure under unfolding conditions. Analysis and discussion of these results provide opportunities to gain in-depth understanding of models for protein folding while enhancing students’ skills with optical techniques. Collectively, the combination of optical spectroscopy, rigorous quantitative analysis, and a focus on biophysics illustrates the significance of fundamental research at the growing intersection of chemistry, biology, and physics. PMID:19756254

  13. Seven decades of "advances".

    PubMed

    Horton, Derek

    2013-01-01

    The field of carbohydrate science, as documented in the 70 volumes of Advances in Carbohydrate Chemistry (and Biochemistry) during the years 1944 through 2014, is surveyed. Subject areas detailed in individual volumes cover a broad range to include fundamental structural studies, synthesis, reactivity, mechanisms, analytical methodology, enzymology, biological and medicinal applications, food technology, and industrial and commercial aspects. The contributions of many prominent research leaders in the carbohydrate field are recorded in biographical memoirs. Stages in the development of internationally accepted systems for naming carbohydrate structures and for their graphical depiction are noted, and indexing questions for retrieval of data are addressed.

  14. Low-Cost Method for Quantifying Sodium in Coconut Water and Seawater for the Undergraduate Analytical Chemistry Laboratory: Flame Test, a Mobile Phone Camera, and Image Processing

    ERIC Educational Resources Information Center

    Moraes, Edgar P.; da Silva, Nilbert S. A.; de Morais, Camilo de L. M.; das Neves, Luiz S.; de Lima, Kassio M. G.

    2014-01-01

    The flame test is a classical analytical method that is often used to teach students how to identify specific metals. However, some universities in developing countries have difficulties acquiring the sophisticated instrumentation needed to demonstrate how to identify and quantify metals. In this context, a method was developed based on the flame…

  15. Developing and Implementing Inquiry-Based, Water Quality Laboratory Experiments for High School Students to Explore Real Environmental Issues Using Analytical Chemistry

    ERIC Educational Resources Information Center

    Mandler, Daphna; Blonder, Ron; Yayon, Malka; Mamlok-Naaman, Rachel; Hofstein, Avi

    2014-01-01

    This paper describes the rationale and the implementation of five laboratory experiments; four of them, intended for high-school students, are inquiry-based activities that explore the quality of water. The context of water provides students with an opportunity to study the importance of analytical methods and how they influence our everyday…

  16. Complementary Spectroscopic Assays for Investigating Protein-Ligand Binding Activity: A Project for the Advanced Chemistry Laboratory

    ERIC Educational Resources Information Center

    Mascotti, David P.; Waner, Mark J.

    2010-01-01

    A protein-ligand binding, guided-inquiry laboratory project with potential application across the advanced undergraduate curriculum is described. At the heart of the project are fluorescence and spectrophotometric assays utilizing biotin-4-fluorescein and streptavidin. The use of the same stock solutions for an assay that may be examined by two…

  17. Process chemistry {ampersand} statistics quality assurance plan

    SciTech Connect

    Meznarich, H.K.

    1996-08-01

    This document provides quality assurance guidelines and quality control requirements for Process Chemistry and Statistics. This document is designed on the basis of Hanford Analytical Services Quality Assurance Plan (HASQAP) technical guidelines and is used for governing process chemistry activities.

  18. Direct analysis of six antibiotics in wastewater samples using rapid high-performance liquid chromatography coupled with diode array detector: a chemometric study towards green analytical chemistry.

    PubMed

    Vosough, Maryam; Rashvand, Masoumeh; Esfahani, Hadi M; Kargosha, Kazem; Salemi, Amir

    2015-04-01

    In this work, a rapid HPLC-DAD method has been developed for the analysis of six antibiotics (amoxicillin, metronidazole, sulfamethoxazole, ofloxacine, sulfadiazine and sulfamerazine) in the sewage treatment plant influent and effluent samples. Decreasing the chromatographic run time to less than 4 min as well as lowering the cost per analysis, were achieved through direct injection of the samples into the HPLC system followed by chemometric analysis. The problem of the complete separation of the analytes from each other and/or from the matrix ingredients was resolved as a posteriori. The performance of MCR/ALS and U-PLS/RBL, as second-order algorithms, was studied and comparable results were obtained from implication of these modeling methods. It was demonstrated that the proposed methods could be used promisingly as green analytical strategies for detection and quantification of the targeted pollutants in wastewater samples while avoiding the more complicated high cost instrumentations.

  19. Eleventh international symposium on radiopharmaceutical chemistry

    SciTech Connect

    1995-12-31

    This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry.

  20. Chemistry and biochemistry of dietary polyphenols.

    PubMed

    Tsao, Rong

    2010-12-01

    Polyphenols are the biggest group of phytochemicals, and many of them have been found in plant-based foods. Polyphenol-rich diets have been linked to many health benefits. This paper is intended to review the chemistry and biochemistry of polyphenols as related to classification, extraction, separation and analytical methods, their occurrence and biosynthesis in plants, and the biological activities and implications in human health. The discussions are focused on important and most recent advances in the above aspects, and challenges are identified for future research.

  1. Chemistry and Biochemistry of Dietary Polyphenols

    PubMed Central

    Tsao, Rong

    2010-01-01

    Polyphenols are the biggest group of phytochemicals, and many of them have been found in plant-based foods. Polyphenol-rich diets have been linked to many health benefits. This paper is intended to review the chemistry and biochemistry of polyphenols as related to classification, extraction, separation and analytical methods, their occurrence and biosynthesis in plants, and the biological activities and implications in human health. The discussions are focused on important and most recent advances in the above aspects, and challenges are identified for future research. PMID:22254006

  2. Biosynthetic inorganic chemistry.

    PubMed

    Lu, Yi

    2006-08-25

    Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry. One such example is the use of small, stable, easy-to-make, and well-characterized proteins as ligands to synthesize novel inorganic compounds. This biosynthetic inorganic chemistry is possible thanks to a number of developments in biology. This review summarizes the progress in the synthesis of close models of complex metalloproteins, followed by a description of recent advances in using the approach for making novel compounds that are unprecedented in either inorganic chemistry or biology. The focus is mainly on synthetic "tricks" learned from biology, as well as novel structures and insights obtained. The advantages and disadvantages of this biosynthetic approach are discussed.

  3. Computational chemistry

    NASA Technical Reports Server (NTRS)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  4. Analytical and experimental evaluation of joining silicon carbide to silicon carbide and silicon nitride to silicon nitride for advanced heat engine applications, phase 2

    NASA Astrophysics Data System (ADS)

    Sundberg, G. J.; Vartabedian, A. M.; Wade, J. A.; White, C. S.

    1994-10-01

    The purpose of joining, Phase 2 was to develop joining technologies for HIP'ed Si3N4 with 4wt% Y2O3 (NCX-5101) and for a siliconized SiC (NT230) for various geometries including: butt joins, curved joins and shaft to disk joins. In addition, more extensive mechanical characterization of silicon nitride joins to enhance the predictive capabilities of the analytical/numerical models for structural components in advanced heat engines was provided. Mechanical evaluation were performed by: flexure strength at 22 C and 1,370 C, stress rupture at 1,370 C, high temperature creep, 22 C tensile testing and spin tests. While the silicon nitride joins were produced with sufficient integrity for many applications, the lower join strength would limit its use in the more severe structural applications. Thus, the silicon carbide join quality was deemed unsatisfactory to advance to more complex, curved geometries. The silicon carbide joining methods covered within this contract, although not entirely successful, have emphasized the need to focus future efforts upon ways to obtain a homogeneous, well sintered parent/join interface prior to siliconization. In conclusion, the improved definition of the silicon carbide joining problem obtained by efforts during this contract have provided avenues for future work that could successfully obtain heat engine quality joins.

  5. Analytical and experimental evaluation of joining silicon carbide to silicon carbide and silicon nitride to silicon nitride for advanced heat engine applications Phase 2. Final report

    SciTech Connect

    Sundberg, G.J.; Vartabedian, A.M.; Wade, J.A.; White, C.S.

    1994-10-01

    The purpose of joining, Phase 2 was to develop joining technologies for HIP`ed Si{sub 3}N{sub 4} with 4wt% Y{sub 2}O{sub 3} (NCX-5101) and for a siliconized SiC (NT230) for various geometries including: butt joins, curved joins and shaft to disk joins. In addition, more extensive mechanical characterization of silicon nitride joins to enhance the predictive capabilities of the analytical/numerical models for structural components in advanced heat engines was provided. Mechanical evaluation were performed by: flexure strength at 22 C and 1,370 C, stress rupture at 1,370 C, high temperature creep, 22 C tensile testing and spin tests. While the silicon nitride joins were produced with sufficient integrity for many applications, the lower join strength would limit its use in the more severe structural applications. Thus, the silicon carbide join quality was deemed unsatisfactory to advance to more complex, curved geometries. The silicon carbide joining methods covered within this contract, although not entirely successful, have emphasized the need to focus future efforts upon ways to obtain a homogeneous, well sintered parent/join interface prior to siliconization. In conclusion, the improved definition of the silicon carbide joining problem obtained by efforts during this contract have provided avenues for future work that could successfully obtain heat engine quality joins.

  6. Advances in analytical methods and occurrence of organic UV-filters in the environment--A review.

    PubMed

    Ramos, Sara; Homem, Vera; Alves, Arminda; Santos, Lúcia

    2015-09-01

    UV-filters are a group of compounds designed mainly to protect skin against UVA and UVB radiation, but they are also included in plastics, furniture, etc., to protect products from light damage. Their massive use in sunscreens for skin protection has been increasing due to the awareness of the chronic and acute effects of UV radiation. Some organic UV-filters have raised significant concerns in the past few years for their continuous usage, persistent input and potential threat to ecological environment and human health. UV-filters end up in wastewater and because wastewater treatment plants are not efficient in removing them, lipophilic compounds tend to sorb onto sludge and hydrophilics end up in river water, contaminating the existing biota. To better understand the risk associated with UV-filters in the environment a thorough review regarding their physicochemical properties, toxicity and environmental degradation, analytical methods and their occurrence was conducted. Higher UV-filter concentrations were found in rivers, reaching 0.3mg/L for the most studied family, the benzophenone derivatives. Concentrations in the ng to μg/L range were also detected for the p-aminobenzoic acid, cinnamate, crylene and benzoyl methane derivatives in lake and sea water. Although at lower levels (few ng/L), UV-filters were also found in tap and groundwater. Swimming pool water is also a sink for UV-filters and its chlorine by-products, at the μg/L range, highlighting the benzophenone and benzimidazole derivatives. Soils and sediments are not frequently studied, but concentrations in the μg/L range have already been found especially for the benzophenone and crylene derivatives. Aquatic biota is frequently studied and UV-filters are found in the ng/g-dw range with higher values for fish and mussels. It has been concluded that more information regarding UV-filter degradation studies both in water and sediments is necessary and environmental occurrences should be monitored more

  7. Miniaturizing and automation of free acidity measurements for uranium (VI)-HNO3 solutions: Development of a new sequential injection analysis for a sustainable radio-analytical chemistry.

    PubMed

    Néri-Quiroz, José; Canto, Fabrice; Guillerme, Laurent; Couston, Laurent; Magnaldo, Alastair; Dugas, Vincent

    2016-10-01

    A miniaturized and automated approach for the determination of free acidity in solutions containing uranium (VI) is presented. The measurement technique is based on the concept of sequential injection analysis with on-line spectroscopic detection. The proposed methodology relies on the complexation and alkalimetric titration of nitric acid using a pH 5.6 sodium oxalate solution. The titration process is followed by UV/VIS detection at 650nm thanks to addition of Congo red as universal pH indicator. Mixing sequence as well as method validity was investigated by numerical simulation. This new analytical design allows fast (2.3min), reliable and accurate free acidity determination of low volume samples (10µL) containing uranium/[H(+)] moles ratio of 1:3 with relative standard deviation of <7.0% (n=11). The linearity range of the free nitric acid measurement is excellent up to 2.77molL(-1) with a correlation coefficient (R(2)) of 0.995. The method is specific, presence of actinide ions up to 0.54molL(-1) does not interfere on the determination of free nitric acid. In addition to automation, the developed sequential injection analysis method greatly improves the standard off-line oxalate complexation and alkalimetric titration method by reducing thousand fold the required sample volume, forty times the nuclear waste per analysis as well as the analysis time by eight fold. These analytical parameters are important especially in nuclear-related applications to improve laboratory safety, personnel exposure to radioactive samples and to drastically reduce environmental impacts or analytical radioactive waste.

  8. Residues in food and feed topic area at the 13th IUPAC International Congress of pesticide chemistry

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The organizers of two symposia in the “Residues in Food and Feed” topic area held at the 13th IUPAC International Congress of Pesticide Chemistry introduce the papers that were contributed to this special section in the Journal. The symposia were titled “Taking Advantage of Advanced Analytical Tool...

  9. Label-free porous silicon immunosensor for broad detection of opiates in a blind clinical study and results comparison to commercial analytical chemistry techniques.

    PubMed

    Bonanno, Lisa M; Kwong, Tai C; DeLouise, Lisa A

    2010-12-01

    In this work, we evaluate for the first time the performance of a label-free porous silicon (PSi) immunosensor assay in a blind clinical study designed to screen authentic patient urine specimens for a broad range of opiates. The PSi opiate immunosensor achieved 96% concordance with liquid chromatography-mass spectrometry/tandem mass spectrometry (LC-MS/MS) results on samples that underwent standard opiate testing (n = 50). In addition, successful detection of a commonly abused opiate, oxycodone, resulted in 100% qualitative agreement between the PSi opiate sensor and LC-MS/MS. In contrast, a commercial broad opiate immunoassay technique (CEDIA) achieved 65% qualitative concordance with LC-MS/MS. Evaluation of important performance attributes including precision, accuracy, and recovery was completed on blank urine specimens spiked with test analytes. Variability of morphine detection as a model opiate target was <9% both within-run and between-day at and above the cutoff limit of 300 ng mL(-1). This study validates the analytical screening capability of label-free PSi opiate immunosensors in authentic patient samples and is the first semiquantitative demonstration of the technology's successful clinical use. These results motivate future development of label-free PSi technology to reduce complexity and cost of diagnostic testing particularly in a point-of-care setting.

  10. A Label-Free Porous Silicon Immunosensor for Broad Detection of Opiates in a Blind Clinical Study and Result Comparison to Commercial Analytical Chemistry Techniques

    PubMed Central

    Bonanno, Lisa M.; Kwong, Tai C.; DeLouise, Lisa A.

    2010-01-01

    In this work we evaluate for the first time the performance of a label-free porous silicon (PSi) immunosensor assay in a blind clinical study designed to screen authentic patient urine specimens for a broad range of opiates. The PSi opiate immunosensor achieved 96% concordance with liquid chromatography-mass spectrometry/tandem mass spectrometry (LC-MS/MS) results on samples that underwent standard opiate testing (n=50). In addition, successful detection of a commonly abused opiate, oxycodone, resulted in 100% qualitative agreement between the PSi opiate sensor and LC-MS/MS. In contrast, a commercial broad opiate immunoassay technique (CEDIA®) achieved 65% qualitative concordance with LC-MS/MS. Evaluation of important performance attributes including precision, accuracy, and recovery was completed on blank urine specimens spiked with test analytes. Variability of morphine detection as a model opiate target was < 9% both within-run and between-day at and above the cutoff limit of 300 ng ml−1. This study validates the analytical screening capability of label-free PSi opiate immunosensors in authentic patient samples and is the first semi-quantitative demonstration of the technology’s successful clinical use. These results motivate future development of PSi technology to reduce complexity and cost of diagnostic testing particularly in a point-of-care setting. PMID:21062030

  11. Extreme Scale Visual Analytics

    SciTech Connect

    Wong, Pak C.; Shen, Han-Wei; Pascucci, Valerio

    2012-05-08

    Extreme-scale visual analytics (VA) is about applying VA to extreme-scale data. The articles in this special issue examine advances related to extreme-scale VA problems, their analytical and computational challenges, and their real-world applications.

  12. Statistical comparison of the results from six analytical chemistry laboratories of the mercury content of muscle tissue of two species of sharks.

    PubMed

    Walker, T I

    1977-01-01

    Statistical tests were carried out on the results of chemical analysis for total mercury concentrations of replicate samples of muscle tissue of school shark Galeorhinus australis (Macleay) and gummy shark Mustelus antarcticus Guenther from six independent analytical laboratories. These tests showed that one laboratory produced results 9% below the overall average of all results, another 1% below average while the other four were all 5% above average. Moreover, one laboratory had significantly lower scatter of results than the others, and the percentage scatter (standard error expressed as a percentage of the mean) in two of the laboratories tended to diminish as the magnitude of the results increased. Correction for what were concluded to be wild points indicated that the scatter for all laboratories was below 14%.

  13. Beginning Chemistry Can Be Relevant

    ERIC Educational Resources Information Center

    Corwin, James F.

    1971-01-01

    Reviews ways of applying laboratory work in general and analytical chemistry to supermarket products. Describes ways water and air pollution analysis can illustrate acid-base reactions, redox reactions, precipitimetry, and colorimetry. (PR)

  14. USSR Report, Chemistry, No. 105

    DTIC Science & Technology

    2007-11-02

    This USSR Report contains articles on Chemistry. Some of the topics covered are Alkaloids, Catalysis, Analytical Chemistry, Chemical Industry, Coal Gasification , Combustion, Electrochemistry, Fertilizers, Free Radials, Nitrogen Compounds, Organometallic Compounds, Organophosphorus Compounds, Pesticides, Petroleum Processing Technology, Polymers and Polymerization and Rubber and Elastomers.,

  15. Medicinal chemistry discoveries among 1,3,5-triazines: recent advances (2000-2013) as antimicrobial, anti-TB, anti-HIV and antimalarials.

    PubMed

    Patel, Rahul V; Keum, Young-Soo; Park, Se Won

    2014-01-01

    The chemistry and an extensive spectrum of biological activities of s-triazines have been examined since several decades and this heterocyclic core has received emerging consensus. This article aims to summarize recent advances (2000-2013) made towards the discovery of antimicrobial, antituberculosis, anti-HIV and antimalarial agents holding 1,3,5-triazine ring as a nucleus with the substitution of several types of nucleophiles. Molecular patterns associated with particular potency have been identified targeting several Gram-positive and Gram-negative bacteria and some fungal species, mycobacterium tuberculosis H37Rv, HIV type I and HIV type II, particularly, HIV-1I IIB and HIV- 1ROD strains as well as a variety of P. falciparum malarial strains as chloroquine-resistant K1, chloroquine-susceptible NF54, chloroquine-sensitive 3D7, P. falciparum (D6 clone), P. falciparum (W2 clone), cycloguanil-resistant FCR-3, chloroquine sensitive RKL2. The report will be of considerable interest to gain useful information for the furtherance of drug discovery with extended 1,3,5-triazine designs.

  16. Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS.

    PubMed

    Belsey, Natalie A; Cant, David J H; Minelli, Caterina; Araujo, Joyce R; Bock, Bernd; Brüner, Philipp; Castner, David G; Ceccone, Giacomo; Counsell, Jonathan D P; Dietrich, Paul M; Engelhard, Mark H; Fearn, Sarah; Galhardo, Carlos E; Kalbe, Henryk; Won Kim, Jeong; Lartundo-Rojas, Luis; Luftman, Henry S; Nunney, Tim S; Pseiner, Johannes; Smith, Emily F; Spampinato, Valentina; Sturm, Jacobus M; Thomas, Andrew G; Treacy, Jon P W; Veith, Lothar; Wagstaffe, Michael; Wang, Hai; Wang, Meiling; Wang, Yung-Chen; Werner, Wolfgang; Yang, Li; Shard, Alexander G

    2016-10-27

    We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) inter-laboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and; particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage or sample preparation resulted in a variability in thickness of 53 %. The calculation method chosen by XPS participants contributed a variability of 67 %. However, variability of 12 % was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors, since this contributed a variability of 33 %. The results from the LEIS participants were more consistent, with variability of less than 10 % in thickness and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results.

  17. Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS

    SciTech Connect

    Belsey, Natalie A.; Cant, David J. H.; Minelli, Caterina; Araujo, Joyce R.; Bock, Bernd; Brüner, Philipp; Castner, David G.; Ceccone, Giacomo; Counsell, Jonathan D. P.; Dietrich, Paul M.; Engelhard, Mark H.; Fearn, Sarah; Galhardo, Carlos E.; Kalbe, Henryk; Kim, Jeong Won; Lartundo-Rojas, Luis; Luftman, Henry S.; Nunney, Tim S.; Pseiner, Johannes; Smith, Emily F.; Spampinato, Valentina; Sturm, Jacobus M.; Thomas, Andrew G.; Treacy, Jon P. W.; Veith, Lothar; Wagstaffe, Michael; Wang, Hai; Wang, Meiling; Wang, Yung-Chen; Werner, Wolfgang; Yang, Li; Shard, Alexander G.

    2016-10-27

    We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) inter-laboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and; particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage or sample preparation resulted in a variability in thickness of 53 %. The calculation method chosen by XPS participants contributed a variability of 67 %. However, variability of 12 % was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors, since this contributed a variability of 33 %. The results from the LEIS participants were more consistent, with variability of less than 10 % in thickness and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results.

  18. Soap bubbles in analytical chemistry. Conductometric determination of sub-parts per million levels of sulfur dioxide with a soap bubble.

    PubMed

    Kanyanee, Tinakorn; Borst, Walter L; Jakmunee, Jaroon; Grudpan, Kate; Li, Jianzhong; Dasgupta, Purnendu K

    2006-04-15

    Soap bubbles provide a fascinating tool that is little used analytically. With a very low liquid volume to surface area ratio, a soap bubble can potentially provide a very useful interface for preconcentration where mass transfer to an interfacial surface is important. Here we use an automated system to create bubbles of uniform size and film thickness. We utilize purified Triton-X 100, a nonionic surfactant, to make soap bubbles. We use such bubbles as a gas-sampling interface. Incorporating hydrogen peroxide into the bubble provides a system where electrical conductance increases as the bubble is exposed to low concentrations of sulfur dioxide gas. We theoretically derive the conductance of a hollow conducting spherical thin film with spherical cap electrodes. We measure the film thickness by incorporating a dye in the bubble making solution and laser transmission photometry and find that it agrees well with the geometrically computed thickness. With the conductance of the bubble-making soap solution being measured by conventional methods, we show that the measured values of the bubble conductance with known bubble and electrode dimensions closely correspond to the theoretically computed value. Finally, we demonstrate that sub-ppm levels of SO(2) can readily be detected by the conductivity change of a hydrogen peroxide-doped soap bubble, measured in situ, when the gas flows around the bubble.

  19. Novel analytical approach to monitoring advanced glycosylation end products in human serum with on-line spectrophotometric and spectrofluorometric detection in a flow system.

    PubMed

    Wróbel, K; Wróbel, K; Garay-Sevilla, M E; Nava, L E; Malacara, J M

    1997-09-01

    We proposed a simple analytical procedure for measurement of serum advanced glycosylation end products (AGEs) based on simultaneous detection of low-molecular-mass peptides and AGEs with a flow system and two detectors connected on-line: spectrophotometric for peptides (lambda = 280 nm) and spectrofluorometric for AGEs (lambda ex = 247 nm, lambda em = 440 nm). Sample pretreatment was carried out in microcentrifuge tubes: Serum (20 microL) was deproteinized with trichloroacetic acid (480 microL, 0.15 mol/L) and lipids were extracted with chloroform (100 microL). Twenty microliters of the filtered aqueous layer was injected to the flow system and the relation between fluorescence and absorption signals was measured. A peptide-derived AGE calibrator was used for calibration. Within-day and between-day CVs were 6.7% and 9.1%, respectively, at an AGE concentration corresponding approximately to that in healthy individuals. Mean results (+/-SD) in 10 healthy individuals were 10.1% +/- 1.0%, in 21 patients with diabetes without complications 18.0% +/- 6.2%, in 25 patients with complications 24.1% +/- 15.4%, and in 12 diabetic patients in end-stage renal disease 92% +/- 30%. Comparison with an ELISA procedure (x, in arbitrary units/L) yields a regression equation y = 0.713x + 1.24 (Sy [symbol: see text] x = 6777, r = 0.8477, n = 41).

  20. Analytical and experimental evaluation of joining silicon nitride to metal and silicon carbide to metal for advanced heat engine applications. Final report

    SciTech Connect

    Kang, S.; Selverian, J.H.; O`Neil, D.; Kim, H.; Kim, K.

    1993-05-01

    This report summarizes the results of Phase 2 of Analytical and Experimental Evaluation of Joining Silicon Nitride to Metal and Silicon Carbide to Metal for Advanced Heat Engine Applications. A general methodology was developed to optimize the joint geometry and material systems for 650{degrees}C applications. Failure criteria were derived to predict the fracture of the braze and ceramic. Extensive finite element analyses (FEA) were performed to examine various joint geometries and to evaluate the affect of different interlayers on the residual stress state. Also, material systems composed of coating materials, interlayers, and braze alloys were developed for the program based on the chemical stability and strength of the joints during processing, and service. The FEA results were compared with experiments using two methods: (1) an idealized strength relationship of the ceramic, and (2) a probabilistic analysis of the ceramic strength (NASA CARES). The results showed that the measured strength of the joint reached 30--80% of the strength predicted by FEA. Also, potential high-temperature braze alloys were developed and evaluated for the high-temperature application of ceramic-metal joints. 38 tabs, 29 figs, 20 refs.